pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.94	IUPAC digitized pKa	1	0	Oc1ncnc2c1[NH2+]CC=N2,Oc1[nH+]cnc2c1NCC=N2,Oc1nc[nH+]c2c1NCC=N2,Oc1ncnc2c1NCC=[NH+]2	Oc1ncnc2c1NCC=N2	mol4762	Oc1ncnc2c1NCC=N2
10.24	IUPAC digitized pKa	-1	-2	[O-]c1ncnc2c1NCC=N2	""	mol4762	Oc1ncnc2c1NCC=N2
10.29	AttenGpKa training set	-1	-2	[O-]c1ncnc2c1NCC=N2	""	mol4762	Oc1ncnc2c1NCC=N2