pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.55	IUPAC digitized pKa	0	-1	O=c1c(O)c(O)c1=O	O=c1c([O-])c(O)c1=O	mol9118	O=c1c(O)c(O)c1=O
1.2	IUPAC digitized pKa	0	-1	O=c1c(O)c(O)c1=O	O=c1c([O-])c(O)c1=O	mol9118	O=c1c(O)c(O)c1=O
1.5	IUPAC digitized pKa	0	-1	O=c1c(O)c(O)c1=O	O=c1c([O-])c(O)c1=O	mol9118	O=c1c(O)c(O)c1=O
0.589999973773956	QSARToolbox	0	-1	O=c1c(O)c(O)c1=O	O=c1c([O-])c(O)c1=O	mol9118	O=c1c(O)c(O)c1=O
0.775	AttenGpKa training set	0	-1	O=c1c(O)c(O)c1=O	O=c1c([O-])c(O)c1=O	mol9118	O=c1c(O)c(O)c1=O
3.48	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
2.89	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.09	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.17	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.28	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
2.93	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.351	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.444	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.511	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.575	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.624	IUPAC digitized pKa	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.48000001907349	QSARToolbox	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O
3.335	AttenGpKa training set	-1	-2	O=c1c([O-])c(O)c1=O	O=c1c([O-])c([O-])c1=O	mol9118	O=c1c(O)c(O)c1=O