pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.05	IUPAC digitized pKa	0	-1	O=[S@](O)CCCc1ccccc1	O=[S@]([O-])CCCc1ccccc1	mol11061	O=S(O)CCCc1ccccc1
2.04999995231628	QSARToolbox	0	-1	O=[S@](O)CCCc1ccccc1	O=[S@]([O-])CCCc1ccccc1	mol11061	O=S(O)CCCc1ccccc1