pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	AttenGpKa training set	0	-1	O=C(O)[C@H]1[C@H]2C[C@@H]1C2	O=C([O-])[C@H]1[C@H]2C[C@@H]1C2	mol22207	O=C(O)C1C2CC1C2