pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.69	IUPAC digitized pKa	1	0	Cc1cn(C)c(=O)[nH+]c1N,Cc1cn(C)c(=O)nc1[NH3+]	Cc1cn(C)c(=O)nc1N	mol4070	Cc1cn(C)c(=O)nc1N
4.76	Datawarrior	1	0	Cc1cn(C)c(=O)[nH+]c1N,Cc1cn(C)c(=O)nc1[NH3+]	Cc1cn(C)c(=O)nc1N	mol4070	Cc1cn(C)c(=O)nc1N
4.7600002	OCHEM	1	0	Cc1cn(C)c(=O)[nH+]c1N,Cc1cn(C)c(=O)nc1[NH3+]	Cc1cn(C)c(=O)nc1N	mol4070	Cc1cn(C)c(=O)nc1N