pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.03	IUPAC digitized pKa	0	-1	Oc1cnc2cccnc2n1	[O-]c1cnc2cccnc2n1	mol4692	Oc1cnc2cccnc2n1
8.30000019073486	QSARToolbox	0	-1	Oc1cnc2cccnc2n1	[O-]c1cnc2cccnc2n1	mol4692	Oc1cnc2cccnc2n1
0.119999997317791	QSARToolbox	1	0	Oc1cnc2ccc[nH+]c2n1,Oc1cnc2cccnc2[nH+]1,Oc1c[nH+]c2cccnc2n1	Oc1cnc2cccnc2n1	mol4692	Oc1cnc2cccnc2n1