pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	Datawarrior	0	-1	O=C(O)C1=C(CO)CC1	O=C([O-])C1=C(CO)CC1	mol13568	O=C(O)C1=C(CO)CC1
4.1599998	OCHEM	0	-1	O=C(O)C1=C(CO)CC1	O=C([O-])C1=C(CO)CC1	mol13568	O=C(O)C1=C(CO)CC1
4.15999984741211	QSARToolbox	0	-1	O=C(O)C1=C(CO)CC1	O=C([O-])C1=C(CO)CC1	mol13568	O=C(O)C1=C(CO)CC1