pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.4	OCHEM	0	-1	O=C(O)CCCC[C@@H]1CCSS1	O=C([O-])CCCC[C@@H]1CCSS1	mol1820	O=C(O)CCCC[C@@H]1CCSS1
5.40000009536743	QSARToolbox	0	-1	O=C(O)CCCC[C@@H]1CCSS1	O=C([O-])CCCC[C@@H]1CCSS1	mol1820	O=C(O)CCCC[C@@H]1CCSS1