pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.13	IUPAC digitized pKa	0	-1	Oc1ncnc2c1N=CCN2	[O-]c1ncnc2c1N=CCN2	mol4765	Oc1ncnc2c1N=CCN2
0.32	IUPAC digitized pKa	2	1	Oc1[nH+]c[nH+]c2c1N=CCN2,[O-]c1nc[nH+]c2c1[NH+]=CC[NH2+]2,Oc1[nH+]cnc2c1[NH+]=CCN2,Oc1ncnc2c1[NH+]=CC[NH2+]2,Oc1nc[nH+]c2c1[NH+]=CCN2	Oc1ncnc2c1[NH+]=CCN2,Oc1ncnc2c1N=CC[NH2+]2,Oc1[nH+]cnc2c1N=CCN2,Oc1nc[nH+]c2c1N=CCN2	mol4765	Oc1ncnc2c1N=CCN2