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          "smiles": "CC1(C)CC(CC(C)(C1)CN=C=O)N=C=O",
          "formula": "C12H18N2O2",
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        "smiles": "CC1(C)CC(CC(C)(C1)CN=C=O)N=C=O",
        "formula": "C12H18N2O2",
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}