pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.22	IUPAC digitized pKa	0	-1	O=C(O)CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)O	mol11267	O=C(O)CCCCCCCCC(=O)O
5.54	IUPAC digitized pKa	0	-1	O=C(O)CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)O	mol11267	O=C(O)CCCCCCCCC(=O)O
5.6	IUPAC digitized pKa	0	-1	O=C(O)CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)O	mol11267	O=C(O)CCCCCCCCC(=O)O
4.59000015258789	QSARToolbox	0	-1	O=C(O)CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)O	mol11267	O=C(O)CCCCCCCCC(=O)O
5.59000015258789	QSARToolbox	0	-1	O=C(O)CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)O	mol11267	O=C(O)CCCCCCCCC(=O)O
4.59999990463257	QSARToolbox	0	-1	O=C(O)CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)O	mol11267	O=C(O)CCCCCCCCC(=O)O
5.59999990463257	QSARToolbox	0	-1	O=C(O)CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)O	mol11267	O=C(O)CCCCCCCCC(=O)O
4.5	AttenGpKa training set	0	-1	O=C(O)CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)O	mol11267	O=C(O)CCCCCCCCC(=O)O
4.4	IUPAC digitized pKa	-1	-2	O=C([O-])CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)[O-]	mol11267	O=C(O)CCCCCCCCC(=O)O
4.58	IUPAC digitized pKa	-1	-2	O=C([O-])CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)[O-]	mol11267	O=C(O)CCCCCCCCC(=O)O
4.6	IUPAC digitized pKa	-1	-2	O=C([O-])CCCCCCCCC(=O)O	O=C([O-])CCCCCCCCC(=O)[O-]	mol11267	O=C(O)CCCCCCCCC(=O)O