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BaseAnnotator.BaseAnnotator --+ | BaseAnnotator.SingleAnnotator --+ | CanSmilesAnnotator
>>> annotator = CanSmilesAnnotator(); >>> print callBySmiles( annotator, "c1ccccc1O")[0]; c1ccc(cc1)O >>> print callBySmiles( annotator, "C1=NC=CC=C1")[0]; c1ccncc1 >>> print callBySmiles( annotator, "C(O)C")[0]; CCO >>> print callBySmiles( annotator, "C1CCCC1")[0]; C1CCCC1 >>> print callBySmiles( annotator, "C[C@H](N)O")[0]; CC(N)O >>> print callBySmiles( annotator, "C[C@@H](N)O")[0]; CC(N)O
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Inherited from Inherited from |
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Inherited from |
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Return an ordered sequence of all the column names that this multiple annotator can generate values for. To facilitate ease of filtering with case-insensitivity, all of the values returned by this method should be lowercase.
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