C20H29NO3
APtclcactv09241716232D 0   0.00000     0.00000
 
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M  END
> <UNIQUE_SMILES>
CCCCCCCCCCCC1(O)C(=O)NC2=C(C=CC=C2)C1=O

> <USER_SUPPLIED_SMILES>
O=C(C1=C(N2)C=CC=C1)C(O)(CCCCCCCCCCC)C2=O

$$$$
