pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.65000009536743	QSARToolbox	0	-1	Oc1nc2ncnc(O)c2[nH]1	[O-]c1nc2ncnc(O)c2[nH]1,Oc1nc2ncnc(O)c2[n-]1,[O-]c1ncnc2nc(O)[nH]c12	mol29508	Oc1nc2ncnc(O)c2[nH]1
7.65	AttenGpKa training set	0	-1	Oc1nc2ncnc(O)c2[nH]1	[O-]c1nc2ncnc(O)c2[nH]1,Oc1nc2ncnc(O)c2[n-]1,[O-]c1ncnc2nc(O)[nH]c12	mol29508	Oc1nc2ncnc(O)c2[nH]1
9.86999988555908	QSARToolbox	-1	-2	[O-]c1nc2ncnc(O)c2[nH]1,Oc1nc2ncnc(O)c2[n-]1,[O-]c1ncnc2nc(O)[nH]c12	[O-]c1ncnc2nc(O)[n-]c12,[O-]c1nc2ncnc([O-])c2[nH]1,[O-]c1nc2ncnc(O)c2[n-]1	mol29508	Oc1nc2ncnc(O)c2[nH]1
9.87	AttenGpKa training set	-1	-2	[O-]c1nc2ncnc(O)c2[nH]1,Oc1nc2ncnc(O)c2[n-]1,[O-]c1ncnc2nc(O)[nH]c12	[O-]c1ncnc2nc(O)[n-]c12,[O-]c1nc2ncnc([O-])c2[nH]1,[O-]c1nc2ncnc(O)c2[n-]1	mol29508	Oc1nc2ncnc(O)c2[nH]1