drug-discovery-app / example_data.csv
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canonical_smiles
CC(=O)Oc1ccccc1C(=O)O
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
CC(=O)Nc1ccc(O)cc1
COc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CCOC(C)(C)C