pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.23	IUPAC digitized pKa	0	-1	O=C(O)CSc1ccccc1Cl	O=C([O-])CSc1ccccc1Cl	mol10739	O=C(O)CSc1ccccc1Cl
3.51999998092651	QSARToolbox	0	-1	O=C(O)CSc1ccccc1Cl	O=C([O-])CSc1ccccc1Cl	mol10739	O=C(O)CSc1ccccc1Cl
3.23000001907349	QSARToolbox	0	-1	O=C(O)CSc1ccccc1Cl	O=C([O-])CSc1ccccc1Cl	mol10739	O=C(O)CSc1ccccc1Cl
3.423333333	AttenGpKa training set	0	-1	O=C(O)CSc1ccccc1Cl	O=C([O-])CSc1ccccc1Cl	mol10739	O=C(O)CSc1ccccc1Cl