pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.81	Datawarrior	0	-1	CNCCS,C[NH2+]CC[S-]	CNCC[S-]	mol15925	CNCCS
8.02	Datawarrior	1	0	C[NH2+]CCS	CNCCS,C[NH2+]CC[S-]	mol15925	CNCCS
8.0200005	OCHEM	1	0	C[NH2+]CCS	CNCCS,C[NH2+]CC[S-]	mol15925	CNCCS
8.02000045776367	QSARToolbox	1	0	C[NH2+]CCS	CNCCS,C[NH2+]CC[S-]	mol15925	CNCCS