pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.71	IUPAC digitized pKa	1	0	Cc1[nH+]c(=N)n(C)c(C)c1-c1ccc(N)cc1,Cc1nc(=[NH2+])n(C)c(C)c1-c1ccc(N)cc1,Cc1nc(=N)n(C)c(C)c1-c1ccc([NH3+])cc1	Cc1nc(=N)n(C)c(C)c1-c1ccc(N)cc1	mol7113	Cc1nc(=N)n(C)c(C)c1-c1ccc(N)cc1
3.64	IUPAC digitized pKa	2	1	Cc1nc(=[NH2+])n(C)c(C)c1-c1ccc([NH3+])cc1,Cc1[nH+]c(=N)n(C)c(C)c1-c1ccc([NH3+])cc1	Cc1[nH+]c(=N)n(C)c(C)c1-c1ccc(N)cc1,Cc1nc(=[NH2+])n(C)c(C)c1-c1ccc(N)cc1,Cc1nc(=N)n(C)c(C)c1-c1ccc([NH3+])cc1	mol7113	Cc1nc(=N)n(C)c(C)c1-c1ccc(N)cc1