pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.77	IUPAC digitized pKa	1	0	[NH3+]CCNCc1cccs1,NCC[NH2+]Cc1cccs1	NCCNCc1cccs1	mol3895	NCCNCc1cccs1
9.7	OCHEM	1	0	[NH3+]CCNCc1cccs1,NCC[NH2+]Cc1cccs1	NCCNCc1cccs1	mol3895	NCCNCc1cccs1
9.8	OCHEM	1	0	[NH3+]CCNCc1cccs1,NCC[NH2+]Cc1cccs1	NCCNCc1cccs1	mol3895	NCCNCc1cccs1
6.29	IUPAC digitized pKa	2	1	[NH3+]CC[NH2+]Cc1cccs1	[NH3+]CCNCc1cccs1,NCC[NH2+]Cc1cccs1	mol3895	NCCNCc1cccs1
6.3	OCHEM	2	1	[NH3+]CC[NH2+]Cc1cccs1	[NH3+]CCNCc1cccs1,NCC[NH2+]Cc1cccs1	mol3895	NCCNCc1cccs1