pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.31	OCHEM	0	-1	O=C1C=C(O)[C@H](I)O1	O=C1C=C([O-])[C@H](I)O1	mol33094	O=C1C=C(O)C(I)O1
2.30999994277954	QSARToolbox	0	-1	O=C1C=C(O)[C@H](I)O1	O=C1C=C([O-])[C@H](I)O1	mol33094	O=C1C=C(O)C(I)O1