pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.09	IUPAC digitized pKa	0	-1	O=C(O)C12CC(C1)C2	O=C([O-])C12CC(C1)C2	mol9547	O=C(O)C12CC(C1)C2
8.05000019073486	QSARToolbox	0	-1	O=C(O)C12CC(C1)C2	O=C([O-])C12CC(C1)C2	mol9547	O=C(O)C12CC(C1)C2
4.02	AttenGpKa training set	0	-1	O=C(O)C12CC(C1)C2	O=C([O-])C12CC(C1)C2	mol9547	O=C(O)C12CC(C1)C2