pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.44	AttenGpKa training set	1	0	[NH3+]CCc1cccc([N+](=O)[O-])c1	NCCc1cccc([N+](=O)[O-])c1	mol24272	NCCc1cccc([N+](=O)[O-])c1