pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.47	AttenGpKa training set	0	-1	COC(=O)c1ccc(C(=O)O)cc1C(=O)OC	COC(=O)c1ccc(C(=O)[O-])cc1C(=O)OC	mol23039	COC(=O)c1ccc(C(=O)O)cc1C(=O)OC