pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.468	IUPAC digitized pKa	0	-1	CSc1cccc(SCC(=O)O)c1	CSc1cccc(SCC(=O)[O-])c1	mol11012	CSc1cccc(SCC(=O)O)c1
5.57999992370606	QSARToolbox	0	-1	CSc1cccc(SCC(=O)O)c1	CSc1cccc(SCC(=O)[O-])c1	mol11012	CSc1cccc(SCC(=O)O)c1