pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.07	AttenGpKa training set	2	1	CC(C)(C)c1cc(C(C)(C)C)[nH+]c(C(C)(C)C)[nH+]1	CC(C)(C)c1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1	mol25834	CC(C)(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1