pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	OCHEM	0	-1	COc1ccc2cc3[n+](cc2c1OC)CCc1cc([O-])c(O)cc1-3,COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c([O-])cc1-3	COc1ccc2cc3[n+](cc2c1OC)CCc1cc([O-])c([O-])cc1-3	mol19544	COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3