pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.89	IUPAC digitized pKa	0	-1	O=[S@](O)CCc1ccccc1	O=[S@]([O-])CCc1ccccc1	mol10660	O=S(O)CCc1ccccc1
2.1	Baltruschat ChEMBL	0	-1	O=[S@](O)CCc1ccccc1	O=[S@]([O-])CCc1ccccc1	mol10660	O=S(O)CCc1ccccc1
1.88999998569489	QSARToolbox	0	-1	O=[S@](O)CCc1ccccc1	O=[S@]([O-])CCc1ccccc1	mol10660	O=S(O)CCc1ccccc1