pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.47	AttenGpKa training set	1	0	C[N+](C)(O)c1cccc([N+](=O)[O-])c1	C[N+](C)([O-])c1cccc([N+](=O)[O-])c1	mol24798	C[N+](C)(O)c1cccc([N+](=O)[O-])c1