pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.54	AttenGpKa training set	1	0	[NH3+]c1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-]	Nc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-]	mol24077	Nc1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-]