pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.68	AttenGpKa training set	0	-1	O=C(O)[C@@H]1CCCC[C@H]1O	O=C([O-])[C@@H]1CCCC[C@H]1O	mol22296	O=C(O)[C@@H]1CCCC[C@H]1O