pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.289999961853	QSARToolbox	0	-1	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2[N-]1	mol29843	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1
10.5	QSARToolbox	0	-1	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2[N-]1	mol29843	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1
1.57000005245209	QSARToolbox	1	0	O=C1C[NH+]=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1	mol29843	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1
1.5	AttenGpKa training set	1	0	O=C1C[NH+]=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1	mol29843	O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1