pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Datawarrior	0	-1	O=C(O)CC1CCCCC1	O=C([O-])CC1CCCCC1	mol12907	O=C(O)CC1CCCCC1
4.51	OCHEM	0	-1	O=C(O)CC1CCCCC1	O=C([O-])CC1CCCCC1	mol12907	O=C(O)CC1CCCCC1
4.8000002	OCHEM	0	-1	O=C(O)CC1CCCCC1	O=C([O-])CC1CCCCC1	mol12907	O=C(O)CC1CCCCC1
4.80000019073486	QSARToolbox	0	-1	O=C(O)CC1CCCCC1	O=C([O-])CC1CCCCC1	mol12907	O=C(O)CC1CCCCC1
4.725	AttenGpKa training set	0	-1	O=C(O)CC1CCCCC1	O=C([O-])CC1CCCCC1	mol12907	O=C(O)CC1CCCCC1