pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	IUPAC digitized pKa	0	-1	C[C@@H]1Nc2nc(N)nc(O)c2N[C@@H]1C	C[C@@H]1Nc2nc(N)nc([O-])c2N[C@@H]1C	mol4741	CC1Nc2nc(N)nc(O)c2NC1C
5.6	IUPAC digitized pKa	1	0	C[C@@H]1[NH2+]c2nc(N)nc(O)c2N[C@@H]1C,C[C@@H]1Nc2[nH+]c(N)nc(O)c2N[C@@H]1C,C[C@@H]1Nc2nc(N)nc(O)c2[NH2+][C@@H]1C,C[C@@H]1Nc2nc(N)[nH+]c(O)c2N[C@@H]1C,C[C@@H]1Nc2nc([NH3+])nc(O)c2N[C@@H]1C	C[C@@H]1Nc2nc(N)nc(O)c2N[C@@H]1C	mol4741	CC1Nc2nc(N)nc(O)c2NC1C