将SMILES转成InChiKey
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将SMILES转成InChiKey

　　最近在项目中需要将SMILES转成InChiKey，通常可以在OpenBabelGUI中操作完成，但是对于大量数据在OpenBabelGUI中操作就有些不方便且容易失误。这里记录一下我解决这个问题的过程。

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