pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	IUPAC digitized pKa	1	0	[NH3+]CCNCc1ccncc1,NCC[NH2+]Cc1ccncc1	NCCNCc1ccncc1	mol6366	NCCNCc1ccncc1
5.81	IUPAC digitized pKa	2	1	[NH3+]CCNCc1cc[nH+]cc1,[NH3+]CC[NH2+]Cc1ccncc1	[NH3+]CCNCc1ccncc1,NCC[NH2+]Cc1ccncc1	mol6366	NCCNCc1ccncc1
3.44	IUPAC digitized pKa	3	2	[NH3+]CC[NH2+]Cc1cc[nH+]cc1	[NH3+]CCNCc1cc[nH+]cc1,[NH3+]CC[NH2+]Cc1ccncc1	mol6366	NCCNCc1ccncc1