pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.084	IUPAC digitized pKa	0	-1	O=C(O)C12CCC(CC1)CC2	O=C([O-])C12CCC(CC1)CC2	mol10910	O=C(O)C12CCC(CC1)CC2
6.75	QSARToolbox	0	-1	O=C(O)C12CCC(CC1)CC2	O=C([O-])C12CCC(CC1)CC2	mol10910	O=C(O)C12CCC(CC1)CC2
5.08	AttenGpKa training set	0	-1	O=C(O)C12CCC(CC1)CC2	O=C([O-])C12CCC(CC1)CC2	mol10910	O=C(O)C12CCC(CC1)CC2