pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.89	IUPAC digitized pKa	0	-1	O=C(O)[C@]12CC[C@H](CC1)C2	O=C([O-])[C@]12CC[C@H](CC1)C2	mol10449	O=C(O)C12CCC(CC1)C2
4.876	IUPAC digitized pKa	0	-1	O=C(O)[C@]12CC[C@H](CC1)C2	O=C([O-])[C@]12CC[C@H](CC1)C2	mol10449	O=C(O)C12CCC(CC1)C2
4.8899999	OCHEM	0	-1	O=C(O)[C@]12CC[C@H](CC1)C2	O=C([O-])[C@]12CC[C@H](CC1)C2	mol10449	O=C(O)C12CCC(CC1)C2
4.67999982833862	QSARToolbox	0	-1	O=C(O)[C@]12CC[C@H](CC1)C2	O=C([O-])[C@]12CC[C@H](CC1)C2	mol10449	O=C(O)C12CCC(CC1)C2
4.8899998664856	QSARToolbox	0	-1	O=C(O)[C@]12CC[C@H](CC1)C2	O=C([O-])[C@]12CC[C@H](CC1)C2	mol10449	O=C(O)C12CCC(CC1)C2