pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.22	IUPAC digitized pKa	0	-1	O=C(O)[C@H](O)C(C(=O)O)(c1ccccc1)c1ccccc1	O=C(O)[C@H](O)C(C(=O)[O-])(c1ccccc1)c1ccccc1,O=C([O-])[C@H](O)C(C(=O)O)(c1ccccc1)c1ccccc1	mol12063	O=C(O)C(O)C(C(=O)O)(c1ccccc1)c1ccccc1
6.35	IUPAC digitized pKa	-1	-2	O=C(O)[C@H](O)C(C(=O)[O-])(c1ccccc1)c1ccccc1,O=C([O-])[C@H](O)C(C(=O)O)(c1ccccc1)c1ccccc1	O=C([O-])[C@H](O)C(C(=O)[O-])(c1ccccc1)c1ccccc1	mol12063	O=C(O)C(O)C(C(=O)O)(c1ccccc1)c1ccccc1