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C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2CCCC(C)(C)C2)CC1	REAL300000721652	0	55	0.0	-63.50	382.04	9.44	-54.06
CC1(C)CCCC(CNC(=O)C23CCC2(C(=O)[O-])C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300000721665	0	63	0.0	-74.26	450.59	12.94	-61.32
CC1(C)CCCC(CNC(=O)C23CCC2(C(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300000721665	1	63	0.0	-75.39	452.25	12.77	-62.62
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300000721668	0	62	0.0	-56.72	450.60	12.69	-44.03
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300000721668	1	62	0.0	-53.63	446.83	12.72	-40.91
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C[C@H](NC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1)C1CCCC(C)C1	REAL300000721713	0	62	0.0	-56.47	442.48	12.66	-43.81
C[C@H](NC(=O)CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1)C1CCCC(C)C1	REAL300000721713	1	62	0.0	-56.73	447.50	12.95	-43.78
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2(C)CCC(C)(C)CC2)CC1	REAL300000721789	0	58	0.0	-63.05	391.99	9.89	-53.16
C[NH+]1CCC(CC(=O)[O-])(C(=O)NC2=CC=CC(C3CCC(=O)N3)=C2)CC1	REAL300000721853	0	51	0.0	-67.18	383.32	7.51	-59.67
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC(C)(C)C2=CC=CN=C2)CC1	REAL300000721914	0	51	0.0	-66.95	370.48	8.26	-58.69
CC(C)(CNC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CN=C1	REAL300000721934	0	58	0.0	-62.29	436.99	11.42	-50.87
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