pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.51	AttenGpKa training set	0	-1	CC(C)(C)c1ccc(C(C)(C)C)c(O)c1	CC(C)(C)c1ccc(C(C)(C)C)c([O-])c1	mol30653	CC(C)(C)c1ccc(C(C)(C)C)c(O)c1