{
  "source": "https://huggingface.co/datasets/openadmet/openadmet-expansionrx-challenge-data/resolve/6b898ccc43d10d25b230fb09e22a6e30c30022b5/expansion_data_train.csv",
  "license": "CC BY 4.0",
  "selection": "First data row of public source training CSV; not asserted to belong to track training rather than validation after preprocessing.",
  "record": {
    "Molecule Name": "E-0001321",
    "SMILES": "CN1CCC[C@H]1COc1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)ccc3[nH]2)cc1",
    "LogD": "",
    "KSOL": "",
    "HLM CLint": "56.4",
    "MLM CLint": "182.3",
    "Caco-2 Permeability Papp A>B": "",
    "Caco-2 Permeability Efflux": "",
    "MPPB": "",
    "MBPB": "",
    "MGMB": ""
  }
}