pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4499998092651	QSARToolbox	0	-1	O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1	O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2[N-]1	mol35756	O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1
0.920000016689301	QSARToolbox	1	0	O=C1C[NH+]=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1	O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1	mol35756	O=C1CN=C(c2ccccc2[N+](=O)[O-])c2cc([N+](=O)[O-])ccc2N1