pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1899996	OCHEM	0	-1	Oc1ccccc1C=Nc1ncc2nc[nH]c2n1	[O-]c1ccccc1C=Nc1ncc2nc[nH]c2n1,Oc1ccccc1C=Nc1ncc2nc[n-]c2n1	mol32521	Oc1ccccc1C=Nc1ncc2nc[nH]c2n1
3.3800001	OCHEM	1	0	Oc1ccccc1C=Nc1ncc2[nH+]c[nH]c2n1,Oc1ccccc1C=Nc1ncc2nc[nH]c2[nH+]1,Oc1ccccc1C=Nc1nc2[nH]cnc2c[nH+]1,Oc1ccccc1C=[NH+]c1ncc2nc[nH]c2n1	Oc1ccccc1C=Nc1ncc2nc[nH]c2n1	mol32521	Oc1ccccc1C=Nc1ncc2nc[nH]c2n1
3.38000011444092	QSARToolbox	1	0	Oc1ccccc1C=Nc1ncc2[nH+]c[nH]c2n1,Oc1ccccc1C=Nc1ncc2nc[nH]c2[nH+]1,Oc1ccccc1C=Nc1nc2[nH]cnc2c[nH+]1,Oc1ccccc1C=[NH+]c1ncc2nc[nH]c2n1	Oc1ccccc1C=Nc1ncc2nc[nH]c2n1	mol32521	Oc1ccccc1C=Nc1ncc2nc[nH]c2n1