pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.12	IUPAC digitized pKa	1	0	Cc1nc(N)nc(C)c1-c1ccc([NH3+])cc1,Cc1nc([NH3+])nc(C)c1-c1ccc(N)cc1,Cc1nc(N)[nH+]c(C)c1-c1ccc(N)cc1	Cc1nc(N)nc(C)c1-c1ccc(N)cc1	mol6996	Cc1nc(N)nc(C)c1-c1ccc(N)cc1
3.71	IUPAC digitized pKa	2	1	Cc1nc(N)[nH+]c(C)c1-c1ccc([NH3+])cc1,Cc1[nH+]c(N)[nH+]c(C)c1-c1ccc(N)cc1	Cc1nc(N)nc(C)c1-c1ccc([NH3+])cc1,Cc1nc([NH3+])nc(C)c1-c1ccc(N)cc1,Cc1nc(N)[nH+]c(C)c1-c1ccc(N)cc1	mol6996	Cc1nc(N)nc(C)c1-c1ccc(N)cc1