pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	AttenGpKa training set	1	0	[NH3+]c1c2ccccc2nc2ccc([N+](=O)[O-])cc12,Nc1c2ccccc2[nH+]c2ccc([N+](=O)[O-])cc12	Nc1c2ccccc2nc2ccc([N+](=O)[O-])cc12	mol26688	Nc1c2ccccc2nc2ccc([N+](=O)[O-])cc12