pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.1400003433228	QSARToolbox	-1	-2	O=C([N-]CO)c1ccc([N+](=O)[O-])cc1	O=C([N-]C[O-])c1ccc([N+](=O)[O-])cc1	mol27241	O=C(NCO)c1ccc([N+](=O)[O-])cc1
13.14	AttenGpKa training set	-1	-2	O=C([N-]CO)c1ccc([N+](=O)[O-])cc1	O=C([N-]C[O-])c1ccc([N+](=O)[O-])cc1	mol27241	O=C(NCO)c1ccc([N+](=O)[O-])cc1