pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.773	IUPAC digitized pKa	0	-1	CC(C)(C)c1ccc([S@@+]([O-])CC(=O)O)cc1	CC(C)(C)c1ccc([S@@+]([O-])CC(=O)[O-])cc1	mol11733	CC(C)(C)c1ccc([S+]([O-])CC(=O)O)cc1
2.76999998092651	QSARToolbox	0	-1	CC(C)(C)c1ccc([S@@+]([O-])CC(=O)O)cc1	CC(C)(C)c1ccc([S@@+]([O-])CC(=O)[O-])cc1	mol11733	CC(C)(C)c1ccc([S+]([O-])CC(=O)O)cc1