pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.72	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)CCCO	O=C([O-])CCCO	mol2552	O=C(O)CCCO
4.71	OCHEM	0	-1	O=C(O)CCCO	O=C([O-])CCCO	mol2552	O=C(O)CCCO
4.71999979019165	QSARToolbox	0	-1	O=C(O)CCCO	O=C([O-])CCCO	mol2552	O=C(O)CCCO
4.46000003814697	QSARToolbox	0	-1	O=C(O)CCCO	O=C([O-])CCCO	mol2552	O=C(O)CCCO