pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.64	IUPAC digitized pKa	1	0	NCC[NH2+]Cc1cccnc1,[NH3+]CCNCc1cccnc1	NCCNCc1cccnc1	mol6365	NCCNCc1cccnc1
5.99	IUPAC digitized pKa	2	1	[NH3+]CC[NH2+]Cc1cccnc1,[NH3+]CCNCc1ccc[nH+]c1	NCC[NH2+]Cc1cccnc1,[NH3+]CCNCc1cccnc1	mol6365	NCCNCc1cccnc1
3.31	IUPAC digitized pKa	3	2	[NH3+]CC[NH2+]Cc1ccc[nH+]c1	[NH3+]CC[NH2+]Cc1cccnc1,[NH3+]CCNCc1ccc[nH+]c1	mol6365	NCCNCc1cccnc1