pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.789999961853	QSARToolbox	0	-1	C[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O	C[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2[N-]C1=O	mol34968	CC1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O
1.61000001430511	QSARToolbox	1	0	C[C@@H]1[NH+]=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O	C[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O	mol34968	CC1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O