pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.01	AttenGpKa training set	0	-1	COc1ccc(C(C)=O)c(O)c1	COc1ccc(C(C)=O)c([O-])c1	mol30566	COc1ccc(C(C)=O)c(O)c1
