pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.21	AttenGpKa training set	1	0	C[NH+](c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	CN(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	mol5998	CN(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1