pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.94	IUPAC digitized pKa	0	-1	Oc1ccc2nccnc2c1	[O-]c1ccc2nccnc2c1	mol2480	Oc1ccc2nccnc2c1
7.92	Datawarrior	0	-1	Oc1ccc2nccnc2c1	[O-]c1ccc2nccnc2c1	mol2480	Oc1ccc2nccnc2c1
7.9200001	OCHEM	0	-1	Oc1ccc2nccnc2c1	[O-]c1ccc2nccnc2c1	mol2480	Oc1ccc2nccnc2c1
7.92000007629395	QSARToolbox	0	-1	Oc1ccc2nccnc2c1	[O-]c1ccc2nccnc2c1	mol2480	Oc1ccc2nccnc2c1
1.4	Datawarrior	1	0	Oc1ccc2ncc[nH+]c2c1,Oc1ccc2[nH+]ccnc2c1	Oc1ccc2nccnc2c1	mol2480	Oc1ccc2nccnc2c1
1.39999997615814	QSARToolbox	1	0	Oc1ccc2ncc[nH+]c2c1,Oc1ccc2[nH+]ccnc2c1	Oc1ccc2nccnc2c1	mol2480	Oc1ccc2nccnc2c1