pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.45	IUPAC digitized pKa	0	-1	O=C(O)COc1ccccc1OCC(=O)O	O=C([O-])COc1ccccc1OCC(=O)O	mol11211	O=C(O)COc1ccccc1OCC(=O)O
2.7	AttenGpKa training set	0	-1	O=C(O)COc1ccccc1OCC(=O)O	O=C([O-])COc1ccccc1OCC(=O)O	mol11211	O=C(O)COc1ccccc1OCC(=O)O
3.36	AttenGpKa training set	0	-1	O=C(O)COc1ccccc1OCC(=O)O	O=C([O-])COc1ccccc1OCC(=O)O	mol11211	O=C(O)COc1ccccc1OCC(=O)O
2.4	IUPAC digitized pKa	-1	-2	O=C([O-])COc1ccccc1OCC(=O)O	O=C([O-])COc1ccccc1OCC(=O)[O-]	mol11211	O=C(O)COc1ccccc1OCC(=O)O