pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.81	AttenGpKa training set	-1	-2	COc1ccc(/C(C)=N/[O-])c(O)c1,COc1ccc(/C(C)=N/O)c([O-])c1	COc1ccc(/C(C)=N/[O-])c([O-])c1	mol31592	COc1ccc(/C(C)=N/O)c(O)c1