pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Datawarrior	1	0	NC(=Nc1ccccc1)Nc1nc(N)nc([NH3+])n1,NC(=Nc1ccccc1)Nc1nc(N)[nH+]c(N)n1,NC(=Nc1ccccc1)Nc1nc(N)nc(N)[nH+]1,NC(Nc1nc(N)nc(N)n1)=[NH+]c1ccccc1	NC(=Nc1ccccc1)Nc1nc(N)nc(N)n1	mol4275	NC(=Nc1ccccc1)Nc1nc(N)nc(N)n1
8.1999998	OCHEM	1	0	NC(=Nc1ccccc1)Nc1nc(N)nc([NH3+])n1,NC(=Nc1ccccc1)Nc1nc(N)[nH+]c(N)n1,NC(=Nc1ccccc1)Nc1nc(N)nc(N)[nH+]1,NC(Nc1nc(N)nc(N)n1)=[NH+]c1ccccc1	NC(=Nc1ccccc1)Nc1nc(N)nc(N)n1	mol4275	NC(=Nc1ccccc1)Nc1nc(N)nc(N)n1