pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1	IUPAC digitized pKa	0	-1	CC1(C)Nc2nc(N)nc(O)c2N=C1c1ccccc1	CC1(C)Nc2nc(N)nc([O-])c2N=C1c1ccccc1	mol8054	CC1(C)Nc2nc(N)nc(O)c2N=C1c1ccccc1
2.89	IUPAC digitized pKa	1	0	CC1(C)Nc2nc([NH3+])nc(O)c2N=C1c1ccccc1,CC1(C)[NH2+]c2nc(N)nc(O)c2N=C1c1ccccc1,CC1(C)Nc2nc(N)[nH+]c(O)c2N=C1c1ccccc1,CC1(C)Nc2[nH+]c(N)nc(O)c2N=C1c1ccccc1	CC1(C)Nc2nc(N)nc(O)c2N=C1c1ccccc1	mol8054	CC1(C)Nc2nc(N)nc(O)c2N=C1c1ccccc1