pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.752	IUPAC digitized pKa	0	-1	O=C([O-])C[NH2+]c1cccc([N+](=O)[O-])c1,O=C(O)CNc1cccc([N+](=O)[O-])c1	O=C([O-])CNc1cccc([N+](=O)[O-])c1	mol5454	O=C(O)CNc1cccc([N+](=O)[O-])c1
3.75	AttenGpKa training set	0	-1	O=C([O-])C[NH2+]c1cccc([N+](=O)[O-])c1,O=C(O)CNc1cccc([N+](=O)[O-])c1	O=C([O-])CNc1cccc([N+](=O)[O-])c1	mol5454	O=C(O)CNc1cccc([N+](=O)[O-])c1
0.06	IUPAC digitized pKa	1	0	O=C(O)C[NH2+]c1cccc([N+](=O)[O-])c1	O=C([O-])C[NH2+]c1cccc([N+](=O)[O-])c1,O=C(O)CNc1cccc([N+](=O)[O-])c1	mol5454	O=C(O)CNc1cccc([N+](=O)[O-])c1