pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.55	Datawarrior	0	-1	CCCC[NH2+]CC(=O)c1ccc([O-])cc1,CCCCNCC(=O)c1ccc(O)cc1	CCCCNCC(=O)c1ccc([O-])cc1	mol14323	CCCCNCC(=O)c1ccc(O)cc1
8.5500002	OCHEM	0	-1	CCCC[NH2+]CC(=O)c1ccc([O-])cc1,CCCCNCC(=O)c1ccc(O)cc1	CCCCNCC(=O)c1ccc([O-])cc1	mol14323	CCCCNCC(=O)c1ccc(O)cc1