pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.33	IUPAC digitized pKa	0	-1	O=C(O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1	O=C([O-])CS(=O)(=O)c1ccc([N+](=O)[O-])cc1	mol10773	O=C(O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1
2.32999992370605	QSARToolbox	0	-1	O=C(O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1	O=C([O-])CS(=O)(=O)c1ccc([N+](=O)[O-])cc1	mol10773	O=C(O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1