pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.62	IUPAC digitized pKa	0	-1	CC(=O)Nc1nc(O)c2[nH]c(C)nc2n1	CC(=O)Nc1nc([O-])c2[nH]c(C)nc2n1,CC(=O)Nc1nc(O)c2[n-]c(C)nc2n1	mol8241	CC(=O)Nc1nc(O)c2[nH]c(C)nc2n1
3.12	IUPAC digitized pKa	1	0	CC(=O)Nc1nc(O)c2[nH]c(C)[nH+]c2n1,CC(=O)Nc1nc2nc(C)[nH]c2c(O)[nH+]1,CC(=O)Nc1nc(O)c2[nH]c(C)nc2[nH+]1	CC(=O)Nc1nc(O)c2[nH]c(C)nc2n1	mol8241	CC(=O)Nc1nc(O)c2[nH]c(C)nc2n1