pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.95	AttenGpKa training set	0	-1	O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO	O=C([O-])[C@@H](O)[C@H](O)[C@H](O)CO	mol29525	O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO