pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	AttenGpKa training set	0	-1	Cc1ccc(NC(=O)c2ccc(O)cc2)cc1	Cc1ccc(NC(=O)c2ccc([O-])cc2)cc1	mol30712	Cc1ccc(NC(=O)c2ccc(O)cc2)cc1
