pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.43	AttenGpKa training set	1	0	CCc1ccn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[nH+]1	CCc1ccn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1	mol25586	CCc1ccn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1