pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.58	Datawarrior	0	-1	O=C(O)[C@H]1[C@@H]2C=C[C@H]1CC2	O=C([O-])[C@H]1[C@@H]2C=C[C@H]1CC2	mol13143	O=C(O)[C@H]1[C@@H]2C=C[C@H]1CC2
4.5	QSARToolbox	0	-1	O=C(O)[C@H]1[C@@H]2C=C[C@H]1CC2	O=C([O-])[C@H]1[C@@H]2C=C[C@H]1CC2	mol13143	O=C(O)[C@H]1[C@@H]2C=C[C@H]1CC2