pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Datawarrior	0	-1	O=C1CCC(O)=C1O	O=C1CCC([O-])=C1O	mol12346	O=C1CCC(O)=C1O
4.8000002	OCHEM	0	-1	O=C1CCC(O)=C1O	O=C1CCC([O-])=C1O	mol12346	O=C1CCC(O)=C1O
4.80000019073486	QSARToolbox	0	-1	O=C1CCC(O)=C1O	O=C1CCC([O-])=C1O	mol12346	O=C1CCC(O)=C1O
12.9	Datawarrior	-1	-2	O=C1CCC([O-])=C1O	O=C1CCC([O-])=C1[O-]	mol12346	O=C1CCC(O)=C1O