pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.59	AttenGpKa training set	1	0	CC(C)(C)c1ccn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[nH+]1	CC(C)(C)c1ccn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1	mol25610	CC(C)(C)c1ccn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1