pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.87	AttenGpKa training set	1	0	C[NH+](C)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	CN(C)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	mol23914	CN(C)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1