pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.7	AttenGpKa training set	1	0	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc[nH+]1	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1	mol27489	O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccn1