pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.52999997138977	QSARToolbox	0	-1	O=C(O)/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1	O=C([O-])/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1	mol36359	O=C(O)/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1
3.44000005722046	QSARToolbox	0	-1	O=C(O)/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1	O=C([O-])/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1	mol36359	O=C(O)/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1