pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	Datawarrior	1	0	C[NH+](C)C[C@@H](CSC#N)SC#N	CN(C)C[C@@H](CSC#N)SC#N	mol12895	CN(C)CC(CSC#N)SC#N
6.0999999	OCHEM	1	0	C[NH+](C)C[C@@H](CSC#N)SC#N	CN(C)C[C@@H](CSC#N)SC#N	mol12895	CN(C)CC(CSC#N)SC#N
6.09999990463257	QSARToolbox	1	0	C[NH+](C)C[C@@H](CSC#N)SC#N	CN(C)C[C@@H](CSC#N)SC#N	mol12895	CN(C)CC(CSC#N)SC#N