pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.74	IUPAC digitized pKa	0	-1	Cc1ccc([S@@+]([O-])CC(=O)O)cc1	Cc1ccc([S@@+]([O-])CC(=O)[O-])cc1	mol11026	Cc1ccc([S+]([O-])CC(=O)O)cc1
2.74000000953674	QSARToolbox	0	-1	Cc1ccc([S@@+]([O-])CC(=O)O)cc1	Cc1ccc([S@@+]([O-])CC(=O)[O-])cc1	mol11026	Cc1ccc([S+]([O-])CC(=O)O)cc1