pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.32	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1ccc(O)c2ccccc12	O=S(=O)([O-])c1ccc([O-])c2ccccc12	mol11303	O=S(=O)(O)c1ccc(O)c2ccccc12
8.47	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1ccc(O)c2ccccc12	O=S(=O)([O-])c1ccc([O-])c2ccccc12	mol11303	O=S(=O)(O)c1ccc(O)c2ccccc12
8.0	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1ccc(O)c2ccccc12	O=S(=O)([O-])c1ccc([O-])c2ccccc12	mol11303	O=S(=O)(O)c1ccc(O)c2ccccc12
8.01000022888184	QSARToolbox	-1	-2	O=S(=O)([O-])c1ccc(O)c2ccccc12	O=S(=O)([O-])c1ccc([O-])c2ccccc12	mol11303	O=S(=O)(O)c1ccc(O)c2ccccc12
8.03999996185303	QSARToolbox	-1	-2	O=S(=O)([O-])c1ccc(O)c2ccccc12	O=S(=O)([O-])c1ccc([O-])c2ccccc12	mol11303	O=S(=O)(O)c1ccc(O)c2ccccc12
8.34000015258789	QSARToolbox	-1	-2	O=S(=O)([O-])c1ccc(O)c2ccccc12	O=S(=O)([O-])c1ccc([O-])c2ccccc12	mol11303	O=S(=O)(O)c1ccc(O)c2ccccc12
8.4	AttenGpKa training set	-1	-2	O=S(=O)([O-])c1ccc(O)c2ccccc12	O=S(=O)([O-])c1ccc([O-])c2ccccc12	mol11303	O=S(=O)(O)c1ccc(O)c2ccccc12