pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.46	IUPAC digitized pKa	0	-1	O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2	mol10447	O=C(O)C1C2CCC(O2)C1C(=O)O
3.4	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2	mol10447	O=C(O)C1C2CCC(O2)C1C(=O)O
5.13	IUPAC digitized pKa	-1	-2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2	O=C([O-])[C@H]1[C@H](C(=O)[O-])[C@H]2CC[C@@H]1O2	mol10447	O=C(O)C1C2CCC(O2)C1C(=O)O