pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.38	IUPAC digitized pKa	0	-1	CCOCCS	CCOCC[S-]	mol448	CCOCCS
9.35	OCHEM	0	-1	CCOCCS	CCOCC[S-]	mol448	CCOCCS
9.38000011444092	QSARToolbox	0	-1	CCOCCS	CCOCC[S-]	mol448	CCOCCS