pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	IUPAC digitized pKa	1	0	CC1=Nc2c(nc(N)[nH+]c2O)N[C@H]1C,CC1=Nc2c(O)nc(N)nc2[NH2+][C@H]1C,CC1=[NH+]c2c(O)nc(N)nc2N[C@H]1C,CC1=Nc2c(O)nc([NH3+])nc2N[C@H]1C,CC1=Nc2c(O)nc(N)[nH+]c2N[C@H]1C	CC1=Nc2c(O)nc(N)nc2N[C@H]1C	mol8052	CC1=Nc2c(O)nc(N)nc2NC1C
11.09	IUPAC digitized pKa	-1	-2	CC1=Nc2c([O-])nc(N)nc2N[C@H]1C	CC1=Nc2c([O-])nc(N)nc2[N-][C@H]1C,CC1=Nc2c(O)nc([NH-])nc2[N-][C@H]1C,CC1=Nc2c([O-])nc([NH-])nc2N[C@H]1C	mol8052	CC1=Nc2c(O)nc(N)nc2NC1C