pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79999995231628	QSARToolbox	0	-1	O=C(O)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	O=C([O-])CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol36118	O=C(O)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1