pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.91	Datawarrior	0	-1	O=C(O)CCC1CCCCC1	O=C([O-])CCC1CCCCC1	mol14096	O=C(O)CCC1CCCCC1
4.9099998	OCHEM	0	-1	O=C(O)CCC1CCCCC1	O=C([O-])CCC1CCCCC1	mol14096	O=C(O)CCC1CCCCC1
4.90999984741211	QSARToolbox	0	-1	O=C(O)CCC1CCCCC1	O=C([O-])CCC1CCCCC1	mol14096	O=C(O)CCC1CCCCC1
4.89	AttenGpKa training set	0	-1	O=C(O)CCC1CCCCC1	O=C([O-])CCC1CCCCC1	mol14096	O=C(O)CCC1CCCCC1