pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)[C@H](O)CO	O=C([O-])[C@H](O)CO	mol21757	O=C(O)C(O)CO
3.54999995231628	QSARToolbox	0	-1	O=C(O)[C@H](O)CO	O=C([O-])[C@H](O)CO	mol21757	O=C(O)C(O)CO
3.51999998092651	QSARToolbox	0	-1	O=C(O)[C@H](O)CO	O=C([O-])[C@H](O)CO	mol21757	O=C(O)C(O)CO
3.66	AttenGpKa training set	0	-1	O=C(O)[C@H](O)CO	O=C([O-])[C@H](O)CO	mol21757	O=C(O)C(O)CO