{
  "schemaVersion": 1,
  "analysisDate": "2026-10-16",
  "scope": "Selected substructure matches and hashed Morgan fingerprint overlap; not experimental activity.",
  "sourceRecords": [
    {
      "cid": "68617",
      "smiles": "CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl",
      "inchiKey": "VGKDLMBJGBXTGI-SJCJKPOMSA-N",
      "formula": "C17H17Cl2N",
      "query": "Sertraline",
      "sourceUrl": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/68617/property/SMILES,InChIKey,MolecularFormula/JSON",
      "checkedAt": "2026-10-08"
    },
    {
      "cid": "3386",
      "smiles": "CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F",
      "inchiKey": "RTHCYVBBDHJXIQ-UHFFFAOYSA-N",
      "formula": "C17H18F3NO",
      "query": "Fluoxetine",
      "sourceUrl": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3386/property/SMILES,InChIKey,MolecularFormula/JSON",
      "checkedAt": "2026-10-08"
    }
  ],
  "queries": [
    {
      "id": "fluorine",
      "smarts": "[F]"
    },
    {
      "id": "chlorine",
      "smarts": "[Cl]"
    }
  ],
  "morgan": {
    "radius": 2,
    "bits": 2048,
    "useChirality": false
  },
  "results": {
    "peer": "fluoxetine",
    "sourceCids": [
      "68617",
      "3386"
    ],
    "sourceSmiles": [
      "CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl",
      "CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F"
    ],
    "counts": [
      {
        "fluorine": 0,
        "chlorine": 2
      },
      {
        "fluorine": 3,
        "chlorine": 0
      }
    ],
    "aBits": 34,
    "bBits": 36,
    "sharedBits": 8,
    "unionBits": 62,
    "rdkitVersion": "2025.03.4"
  }
}