pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.26999998092651	QSARToolbox	0	-1	O=C(O)[C@@H](c1ccc(C2CCCCC2)cc1)[C@@H](O)c1ccc(Cl)cc1	O=C([O-])[C@@H](c1ccc(C2CCCCC2)cc1)[C@@H](O)c1ccc(Cl)cc1	mol36747	O=C(O)C(c1ccc(C2CCCCC2)cc1)C(O)c1ccc(Cl)cc1