pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
15.13	AttenGpKa training set	0	-1	CC(C)(C)c1cc(C(C)(C)C)[nH]n1	CC(C)(C)c1cc(C(C)(C)C)[n-]n1	mol25449	CC(C)(C)c1cc(C(C)(C)C)[nH]n1
3.94	AttenGpKa training set	1	0	CC(C)(C)c1cc(C(C)(C)C)[nH+][nH]1	CC(C)(C)c1cc(C(C)(C)C)[nH]n1	mol25449	CC(C)(C)c1cc(C(C)(C)C)[nH]n1