pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.58	Hunt	1	0	Nc1nc(-c2cccc[nH+]2)nc(N)c1Cc1ccc(Cl)cc1Cl,Nc1nc(-c2ccccn2)nc([NH3+])c1Cc1ccc(Cl)cc1Cl,Nc1nc(-c2ccccn2)[nH+]c(N)c1Cc1ccc(Cl)cc1Cl	Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl	mol500	Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl
5.6	Novartis	1	0	Nc1nc(-c2cccc[nH+]2)nc(N)c1Cc1ccc(Cl)cc1Cl,Nc1nc(-c2ccccn2)nc([NH3+])c1Cc1ccc(Cl)cc1Cl,Nc1nc(-c2ccccn2)[nH+]c(N)c1Cc1ccc(Cl)cc1Cl	Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl	mol500	Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl