Does anyone have any ideas about how to stop inchi complaining about
undefined stereocenters? We know it's undefined - we don't need to
hear all about it.

>>> pybel.readstring("smi", "FC(Br)(Cl)I").write("inchi")
==============================
*** Open Babel Warning  in InChI code
  #0 :Omitted undefined stereo
'InChI=1S/CBrClFI/c2-1(3,4)5\n'
>>>

- Noel

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