pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.57	IUPAC digitized pKa	0	-1	CSc1ccccc1SCC(=O)O	CSc1ccccc1SCC(=O)[O-]	mol11011	CSc1ccccc1SCC(=O)O
3.5699999332428	QSARToolbox	0	-1	CSc1ccccc1SCC(=O)O	CSc1ccccc1SCC(=O)[O-]	mol11011	CSc1ccccc1SCC(=O)O
3.655	AttenGpKa training set	0	-1	CSc1ccccc1SCC(=O)O	CSc1ccccc1SCC(=O)[O-]	mol11011	CSc1ccccc1SCC(=O)O