pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	IUPAC digitized pKa	0	-1	O=C(O)CC(CC(=O)O)(c1ccccc1)c1ccccc1	O=C([O-])CC(CC(=O)O)(c1ccccc1)c1ccccc1	mol12159	O=C(O)CC(CC(=O)O)(c1ccccc1)c1ccccc1
6.81	IUPAC digitized pKa	-1	-2	O=C([O-])CC(CC(=O)O)(c1ccccc1)c1ccccc1	O=C([O-])CC(CC(=O)[O-])(c1ccccc1)c1ccccc1	mol12159	O=C(O)CC(CC(=O)O)(c1ccccc1)c1ccccc1