pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	AttenGpKa training set	-1	-2	O=C([O-])[C@@H](Cl)OO	O=C(O)[C-](Cl)O[O-],O=C([O-])[C-](Cl)OO,O=C([O-])[C@@H](Cl)O[O-]	mol31357	O=C(O)C(Cl)OO