pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.91	IUPAC digitized pKa	0	-1	O=C(O)[C@@H]1[C@H](C(=O)O)C12c1ccccc1-c1ccccc12	O=C(O)[C@@H]1[C@H](C(=O)[O-])C12c1ccccc1-c1ccccc12	mol12154	O=C(O)[C@@H]1[C@H](C(=O)O)C12c1ccccc1-c1ccccc12
6.66	IUPAC digitized pKa	-1	-2	O=C(O)[C@@H]1[C@H](C(=O)[O-])C12c1ccccc1-c1ccccc12	O=C([O-])[C@@H]1[C@H](C(=O)[O-])C12c1ccccc1-c1ccccc12	mol12154	O=C(O)[C@@H]1[C@H](C(=O)O)C12c1ccccc1-c1ccccc12