pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.78	IUPAC digitized pKa	-1	-2	Cc1cc(S(=O)(=O)O)cc(C(=O)[O-])c1O	Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1O	mol10624	Cc1cc(S(=O)(=O)O)cc(C(=O)O)c1O
2.55	IUPAC digitized pKa	-1	-2	Cc1cc(S(=O)(=O)O)cc(C(=O)[O-])c1O	Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1O	mol10624	Cc1cc(S(=O)(=O)O)cc(C(=O)O)c1O
2.97000002861023	QSARToolbox	-1	-2	Cc1cc(S(=O)(=O)O)cc(C(=O)[O-])c1O	Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1O	mol10624	Cc1cc(S(=O)(=O)O)cc(C(=O)O)c1O
13.08	IUPAC digitized pKa	-2	-3	Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1O	Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1[O-]	mol10624	Cc1cc(S(=O)(=O)O)cc(C(=O)O)c1O
12.74	IUPAC digitized pKa	-2	-3	Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1O	Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1[O-]	mol10624	Cc1cc(S(=O)(=O)O)cc(C(=O)O)c1O
13.2700004577637	QSARToolbox	-2	-3	Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1O	Cc1cc(S(=O)(=O)[O-])cc(C(=O)[O-])c1[O-]	mol10624	Cc1cc(S(=O)(=O)O)cc(C(=O)O)c1O