C[NH+](C)CCNS(=O)(=O)CCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL300030879089	0	47	0.0	-86.33	407.90	-4.16	-90.49
CN(CC[NH+](C)C)S(=O)(=O)CCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL300030879150	0	50	0.0	-85.35	425.22	-2.32	-87.67
C[NH+](C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]C2=NN=C(C3CC3)O2)C1	REAL300030879178	1	48	0.0	-88.07	417.60	-3.10	-91.17
C[C@@H](C[NH+](C)C)NS(=O)(=O)CCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL300030879240	0	50	0.0	-89.79	419.80	-3.46	-93.25
O=S(=O)(CCCS(=O)(=O)NCC[NH+]1CCC1)[N-]C1=NN=C(C2CC2)O1	REAL300030879251	1	48	0.0	-84.89	417.38	-3.72	-88.61
C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1)[NH+](C)C	REAL300030879270	0	50	0.0	-81.05	420.11	-3.32	-84.37
CCCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+](C)C)O1	REAL300030879546	0	49	0.0	-85.05	419.50	-4.30	-89.35
CCCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC[NH+](C)C)O1	REAL300030879606	0	52	0.0	-84.10	436.81	-2.46	-86.56
CCCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)O1	REAL300030879633	1	50	0.0	-86.77	429.19	-3.25	-90.02
CCCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C[NH+](C)C)O1	REAL300030879695	0	52	0.0	-88.59	431.38	-3.59	-92.18
CCCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+]2CCC2)O1	REAL300030879705	1	50	0.0	-83.64	428.97	-3.86	-87.50
CCCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)[NH+](C)C)O1	REAL300030879723	0	52	0.0	-79.75	431.71	-3.46	-83.21
CC(C)CC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+](C)C)O1	REAL300030879987	0	52	0.0	-85.62	437.93	-3.76	-89.38
CCOCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+](C)C)O1	REAL300030880250	0	50	0.0	-86.28	432.03	-5.81	-92.09
C[NH+](C)CCNS(=O)(=O)CCCS(=O)(=O)[N-]C1=NN=C(C(C)(C)C)O1	REAL300030880376	0	52	0.0	-86.32	438.36	-3.92	-90.24
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+](C)C)O1	REAL300030880523	0	46	0.0	-85.46	398.00	-5.07	-90.53
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[N@H+](C)CC2)O1	REAL300030880551	1	50	0.0	-82.24	411.24	-2.91	-85.15
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[N@@H+](C)CC2)O1	REAL300030880551	1	50	0.0	-86.45	406.73	-2.65	-89.10
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC([NH+](C)C)C2)O1	REAL300030880620	0	50	0.0	-85.99	421.26	-3.15	-89.14
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC[NH+](C)C)O1	REAL300030880629	0	49	0.0	-84.51	415.32	-3.22	-87.73
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)O1	REAL300030880673	1	47	0.0	-87.17	407.69	-4.01	-91.18
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[N@H+](C)C(C)C)O1	REAL300030880727	0	52	0.0	-83.65	432.42	-3.88	-87.53
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[N@@H+](C)C(C)C)O1	REAL300030880727	1	52	0.0	-83.02	432.42	-3.87	-86.89
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C[NH+](C)C)O1	REAL300030880774	0	49	0.0	-89.04	409.88	-4.36	-93.40
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+]2CC=CC2)O1	REAL300030880779	1	48	0.0	-85.21	415.14	-4.15	-89.36
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+]2CCC2)O1	REAL300030880791	1	47	0.0	-84.08	407.47	-4.63	-88.71
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CC[N@H+](C)C2)O1	REAL300030880823	0	50	0.0	-84.70	424.24	-4.01	-88.71
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC2CC[N@@H+](C)C2)O1	REAL300030880823	1	50	0.0	-84.80	423.97	-4.01	-88.81
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)[NH+](C)C)O1	REAL300030880840	0	49	0.0	-80.19	410.21	-4.23	-84.42
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+]2CCCC2)O1	REAL300030880925	0	50	0.0	-84.26	423.97	-3.91	-88.17
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)C[NH+](C)C)O1	REAL300030881041	0	52	0.0	-85.67	435.63	-3.54	-89.21
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[N@H+](C)C2CC2)O1	REAL300030881066	0	50	0.0	-83.53	427.26	-3.67	-87.20
CCC1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[N@@H+](C)C2CC2)O1	REAL300030881066	1	50	0.0	-82.99	427.26	-3.65	-86.64
CC(C)C1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+](C)C)O1	REAL300030881510	0	49	0.0	-85.63	418.82	-4.46	-90.09
CC(C)C1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC[NH+](C)C)O1	REAL300030881570	0	52	0.0	-84.71	436.14	-2.61	-87.32
CC(C)C1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)O1	REAL300030881597	1	50	0.0	-87.34	428.51	-3.41	-90.75
CC(C)C1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C[NH+](C)C)O1	REAL300030881659	0	52	0.0	-89.24	431.24	-3.75	-92.99
CC(C)C1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCC[NH+]2CCC2)O1	REAL300030881669	1	50	0.0	-84.23	428.29	-4.02	-88.25
CC(C)C1=NN=C([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)[NH+](C)C)O1	REAL300030881687	0	52	0.0	-80.34	431.02	-3.63	-83.97
C[NH+](C)CCNS(=O)(=O)CCCCS(=O)(=O)[N-]C1=NN=C(C2CC2)O1	REAL300030881951	0	50	0.0	-82.71	429.40	-3.38	-86.09
CCCC1=NN=C([N-]S(=O)(=O)CCCCS(=O)(=O)NCC[NH+](C)C)O1	REAL300030882100	0	52	0.0	-81.42	441.00	-3.52	-84.94
CCC1=NN=C([N-]S(=O)(=O)CCCCS(=O)(=O)NCC[NH+](C)C)O1	REAL300030882375	0	49	0.0	-81.67	419.50	-4.30	-85.97
CCC1=NN=C([N-]S(=O)(=O)CCCCS(=O)(=O)N(C)CC[NH+](C)C)O1	REAL300030882435	0	52	0.0	-80.06	436.82	-2.45	-82.51
CCC1=NN=C([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)O1	REAL300030882462	1	50	0.0	-83.80	429.19	-3.22	-87.02
CCC1=NN=C([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H](C)C[NH+](C)C)O1	REAL300030882524	0	52	0.0	-82.61	431.92	-3.57	-86.18
CCC1=NN=C([N-]S(=O)(=O)CCCCS(=O)(=O)NCC[NH+]2CCC2)O1	REAL300030882534	1	50	0.0	-80.65	428.97	-3.84	-84.49
CCC1=NN=C([N-]S(=O)(=O)CCCCS(=O)(=O)NC[C@H](C)[NH+](C)C)O1	REAL300030882552	0	52	0.0	-78.03	431.70	-3.45	-81.48
CC(C)C1=NN=C([N-]S(=O)(=O)CCCCS(=O)(=O)NCC[NH+](C)C)O1	REAL300030882816	0	52	0.0	-81.82	440.32	-3.69	-85.51