pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.56	IUPAC digitized pKa	0	-1	Oc1ncc2nn[nH]c2n1	Oc1ncc2nn[n-]c2n1	mol8352	Oc1ncc2nn[nH]c2n1
-1.61	IUPAC digitized pKa	2	1	Oc1ncc2[nH+][nH+][nH]c2n1	Oc1ncc2[nH+]n[nH]c2n1,Oc1ncc2n[nH+][nH]c2n1,Oc1nc2[nH]nnc2c[nH+]1	mol8352	Oc1ncc2nn[nH]c2n1
10.21	IUPAC digitized pKa	-1	-2	Oc1ncc2nn[n-]c2n1	[O-]c1ncc2nn[n-]c2n1	mol8352	Oc1ncc2nn[nH]c2n1