pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	Datawarrior	1	0	C[NH+](C)C[C@@H](CSCc1ccccc1)SCc1ccccc1	CN(C)C[C@@H](CSCc1ccccc1)SCc1ccccc1	mol15095	CN(C)CC(CSCc1ccccc1)SCc1ccccc1
7.3000002	OCHEM	1	0	C[NH+](C)C[C@@H](CSCc1ccccc1)SCc1ccccc1	CN(C)C[C@@H](CSCc1ccccc1)SCc1ccccc1	mol15095	CN(C)CC(CSCc1ccccc1)SCc1ccccc1
7.30000019073486	QSARToolbox	1	0	C[NH+](C)C[C@@H](CSCc1ccccc1)SCc1ccccc1	CN(C)C[C@@H](CSCc1ccccc1)SCc1ccccc1	mol15095	CN(C)CC(CSCc1ccccc1)SCc1ccccc1