pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	IUPAC digitized pKa	1	0	Cc1nc(N)[nH+]c(N)n1,Cc1nc(N)nc([NH3+])n1,Cc1nc(N)nc(N)[nH+]1	Cc1nc(N)nc(N)n1	mol4273	Cc1nc(N)nc(N)n1
4.59	Datawarrior	1	0	Cc1nc(N)[nH+]c(N)n1,Cc1nc(N)nc([NH3+])n1,Cc1nc(N)nc(N)[nH+]1	Cc1nc(N)nc(N)n1	mol4273	Cc1nc(N)nc(N)n1
4.5900002	OCHEM	1	0	Cc1nc(N)[nH+]c(N)n1,Cc1nc(N)nc([NH3+])n1,Cc1nc(N)nc(N)[nH+]1	Cc1nc(N)nc(N)n1	mol4273	Cc1nc(N)nc(N)n1
4.3	OCHEM	1	0	Cc1nc(N)[nH+]c(N)n1,Cc1nc(N)nc([NH3+])n1,Cc1nc(N)nc(N)[nH+]1	Cc1nc(N)nc(N)n1	mol4273	Cc1nc(N)nc(N)n1