pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.98	IUPAC digitized pKa	0	-1	Cn1nc2[nH]c(=O)nc(N)c2n1	Cn1nc2[n-]c(=O)nc(N)c2n1	mol9368	Cn1nc2[nH]c(=O)nc(N)c2n1
3.94	IUPAC digitized pKa	1	0	Cn1nc2[nH]c(=O)nc(N)c2[nH+]1,Cn1nc2c(N)nc(=O)[nH]c2[nH+]1,Cn1nc2[nH]c(=O)[nH+]c(N)c2n1,Cn1nc2[nH]c(=O)nc([NH3+])c2n1	Cn1nc2[nH]c(=O)nc(N)c2n1	mol9368	Cn1nc2[nH]c(=O)nc(N)c2n1