pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	IUPAC digitized pKa	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.62	IUPAC digitized pKa	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.67	Datawarrior	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.83	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.6700001	OCHEM	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.835	OCHEM	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.82999992370605	QSARToolbox	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.83999991416931	QSARToolbox	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.61999988555908	QSARToolbox	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.84999990463257	QSARToolbox	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.8199999332428	QSARToolbox	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
3.865	AttenGpKa training set	0	-1	O=C(O)CO	O=C([O-])CO	mol2241	O=C(O)CO
14.37	Datawarrior	-1	-2	O=C([O-])CO	O=C([O-])C[O-]	mol2241	O=C(O)CO
14.3699998855591	QSARToolbox	-1	-2	O=C([O-])CO	O=C([O-])C[O-]	mol2241	O=C(O)CO