pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	IUPAC digitized pKa	-1	-2	O=S(=O)([O-])c1cc(O)cc2[nH]ncc12	O=S(=O)([O-])c1cc([O-])cc2[nH]ncc12	mol10314	O=S(=O)(O)c1cc(O)cc2[nH]ncc12
8.8500004	OCHEM	-1	-2	O=S(=O)([O-])c1cc(O)cc2[nH]ncc12	O=S(=O)([O-])c1cc([O-])cc2[nH]ncc12	mol10314	O=S(=O)(O)c1cc(O)cc2[nH]ncc12
8.85000038146973	QSARToolbox	-1	-2	O=S(=O)([O-])c1cc(O)cc2[nH]ncc12	O=S(=O)([O-])c1cc([O-])cc2[nH]ncc12	mol10314	O=S(=O)(O)c1cc(O)cc2[nH]ncc12