pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.95	AttenGpKa training set	0	-1	CCC(=O)c1ccc(O)cc1	CCC(=O)c1ccc([O-])cc1	mol20745	CCC(=O)c1ccc(O)cc1