pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	AttenGpKa training set	0	-1	CC(=O)Nc1ccc(CC(=O)O)cc1	CC(=O)Nc1ccc(CC(=O)[O-])cc1	mol23397	CC(=O)Nc1ccc(CC(=O)O)cc1