pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.051	IUPAC digitized pKa	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.07	IUPAC digitized pKa	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.05	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.3	OCHEM	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
2.7	OCHEM	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
5.1	OCHEM	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.1	OCHEM	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.0605	OCHEM	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.04999995231628	QSARToolbox	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.22000002861023	QSARToolbox	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.28999996185303	QSARToolbox	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.50999999046326	QSARToolbox	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.70000004768372	QSARToolbox	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
1.726	AttenGpKa training set	0	-1	O=C(O)c1c(O)cccc1O	O=C([O-])c1c(O)cccc1O	mol2242	O=C(O)c1c(O)cccc1O
13.03	AttenGpKa training set	-2	-3	O=C([O-])c1c([O-])cccc1O	O=C([O-])c1c([O-])cccc1[O-]	mol2242	O=C(O)c1c(O)cccc1O
13.95	AttenGpKa training set	-2	-3	O=C([O-])c1c([O-])cccc1O	O=C([O-])c1c([O-])cccc1[O-]	mol2242	O=C(O)c1c(O)cccc1O