pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.52	IUPAC digitized pKa	0	-1	CSc1ccc(SCC(=O)O)cc1	CSc1ccc(SCC(=O)[O-])cc1	mol11013	CSc1ccc(SCC(=O)O)cc1
3.74	OCHEM	0	-1	CSc1ccc(SCC(=O)O)cc1	CSc1ccc(SCC(=O)[O-])cc1	mol11013	CSc1ccc(SCC(=O)O)cc1
3.74000000953674	QSARToolbox	0	-1	CSc1ccc(SCC(=O)O)cc1	CSc1ccc(SCC(=O)[O-])cc1	mol11013	CSc1ccc(SCC(=O)O)cc1
3.51999998092651	QSARToolbox	0	-1	CSc1ccc(SCC(=O)O)cc1	CSc1ccc(SCC(=O)[O-])cc1	mol11013	CSc1ccc(SCC(=O)O)cc1
3.63	AttenGpKa training set	0	-1	CSc1ccc(SCC(=O)O)cc1	CSc1ccc(SCC(=O)[O-])cc1	mol11013	CSc1ccc(SCC(=O)O)cc1