pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.28	Datawarrior	0	-1	[S-]CC[NH2+]Cc1ccccc1,SCCNCc1ccccc1	[S-]CCNCc1ccccc1	mol14203	SCCNCc1ccccc1
7.86	Datawarrior	1	0	SCC[NH2+]Cc1ccccc1	[S-]CC[NH2+]Cc1ccccc1,SCCNCc1ccccc1	mol14203	SCCNCc1ccccc1
7.8600001	OCHEM	1	0	SCC[NH2+]Cc1ccccc1	[S-]CC[NH2+]Cc1ccccc1,SCCNCc1ccccc1	mol14203	SCCNCc1ccccc1
7.8600001335144	QSARToolbox	1	0	SCC[NH2+]Cc1ccccc1	[S-]CC[NH2+]Cc1ccccc1,SCCNCc1ccccc1	mol14203	SCCNCc1ccccc1