pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.23	Baltruschat ChEMBL	0	-1	COC1=C(O)[C@@H]([C@@H](O)CO)OC1=O	COC1=C([O-])[C@@H]([C@@H](O)CO)OC1=O	mol20471	COC1=C(O)[C@@H]([C@@H](O)CO)OC1=O