pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.51	AttenGpKa training set	1	0	O=C(c1ccccc1)c1ncc([N+](=O)[O-])c[nH+]1	O=C(c1ccccc1)c1ncc([N+](=O)[O-])cn1	mol25816	O=C(c1ccccc1)c1ncc([N+](=O)[O-])cn1