pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Datawarrior	0	-1	SCCNc1ccccc1	[S-]CCNc1ccccc1	mol13036	SCCNc1ccccc1
9.39999961853027	QSARToolbox	0	-1	SCCNc1ccccc1	[S-]CCNc1ccccc1	mol13036	SCCNc1ccccc1
3.78	Datawarrior	1	0	SCC[NH2+]c1ccccc1	SCCNc1ccccc1	mol13036	SCCNc1ccccc1
3.77999997138977	QSARToolbox	1	0	SCC[NH2+]c1ccccc1	SCCNc1ccccc1	mol13036	SCCNc1ccccc1