pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.53	AttenGpKa training set	0	-1	CC(C)(C)c1ccc(O)c(O)c1	CC(C)(C)c1ccc([O-])c(O)c1,CC(C)(C)c1ccc(O)c([O-])c1	mol30569	CC(C)(C)c1ccc(O)c(O)c1
14.0	AttenGpKa training set	-1	-2	CC(C)(C)c1ccc([O-])c(O)c1,CC(C)(C)c1ccc(O)c([O-])c1	CC(C)(C)c1ccc([O-])c([O-])c1	mol30569	CC(C)(C)c1ccc(O)c(O)c1