pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	IUPAC digitized pKa	0	-1	O=S(=O)([O-])c1ccc[nH+]c1	O=S(=O)([O-])c1cccnc1	mol3790	O=S(=O)(O)c1cccnc1
3.22	IUPAC digitized pKa	0	-1	O=S(=O)([O-])c1ccc[nH+]c1	O=S(=O)([O-])c1cccnc1	mol3790	O=S(=O)(O)c1cccnc1
2.90000009536743	QSARToolbox	0	-1	O=S(=O)([O-])c1ccc[nH+]c1	O=S(=O)([O-])c1cccnc1	mol3790	O=S(=O)(O)c1cccnc1
3.06	AttenGpKa training set	0	-1	O=S(=O)([O-])c1ccc[nH+]c1	O=S(=O)([O-])c1cccnc1	mol3790	O=S(=O)(O)c1cccnc1