pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.49	IUPAC digitized pKa	0	-1	Oc1nc2cccnc2nc1O	[O-]c1nc2cccnc2nc1O,[O-]c1nc2ncccc2nc1O	mol4691	Oc1nc2cccnc2nc1O
8.48999977111816	QSARToolbox	0	-1	Oc1nc2cccnc2nc1O	[O-]c1nc2cccnc2nc1O,[O-]c1nc2ncccc2nc1O	mol4691	Oc1nc2cccnc2nc1O
0.100000001490116	QSARToolbox	1	0	Oc1nc2cccnc2[nH+]c1O,Oc1nc2ccc[nH+]c2nc1O	Oc1nc2cccnc2nc1O	mol4691	Oc1nc2cccnc2nc1O
11.86	IUPAC digitized pKa	-1	-2	[O-]c1nc2cccnc2nc1O,[O-]c1nc2ncccc2nc1O	[O-]c1nc2cccnc2nc1[O-]	mol4691	Oc1nc2cccnc2nc1O
11.8599996566772	QSARToolbox	-1	-2	[O-]c1nc2cccnc2nc1O,[O-]c1nc2ncccc2nc1O	[O-]c1nc2cccnc2nc1[O-]	mol4691	Oc1nc2cccnc2nc1O