pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	AttenGpKa training set	1	0	CCOc1[nH+]ccc([O-])[n+]1C,CCOc1nccc(O)[n+]1C	CCOc1nccc([O-])[n+]1C	mol29512	CCOc1nccc(O)[n+]1C