{
  "schemaVersion": 1,
  "analysisDate": "2026-10-16",
  "scope": "Selected substructure matches and hashed Morgan fingerprint overlap; not experimental activity.",
  "sourceRecords": [
    {
      "cid": "24821094",
      "smiles": "C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N",
      "inchiKey": "XYFPWWZEPKGCCK-GOSISDBHSA-N",
      "formula": "C25H24N6O2",
      "query": "Ibrutinib",
      "sourceUrl": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/24821094/property/SMILES,InChIKey,MolecularFormula/JSON",
      "checkedAt": "2026-10-08"
    },
    {
      "cid": "129269915",
      "smiles": "C[C@@H](C(F)(F)F)N1C(=C(C(=N1)C2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)F)OC)C(=O)N)N",
      "inchiKey": "FWZAWAUZXYCBKZ-NSHDSACASA-N",
      "formula": "C22H21F4N5O3",
      "query": "Pirtobrutinib",
      "sourceUrl": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/129269915/property/SMILES,InChIKey,MolecularFormula/JSON",
      "checkedAt": "2026-10-08"
    }
  ],
  "queries": [
    {
      "id": "acrylamide",
      "smarts": "C=CC(=O)N"
    },
    {
      "id": "fluorine",
      "smarts": "[F]"
    }
  ],
  "morgan": {
    "radius": 2,
    "bits": 2048,
    "useChirality": false
  },
  "results": {
    "peer": "pirtobrutinib",
    "sourceCids": [
      "24821094",
      "129269915"
    ],
    "sourceSmiles": [
      "C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N",
      "C[C@@H](C(F)(F)F)N1C(=C(C(=N1)C2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)F)OC)C(=O)N)N"
    ],
    "counts": [
      {
        "acrylamide": 1,
        "fluorine": 0
      },
      {
        "acrylamide": 0,
        "fluorine": 4
      }
    ],
    "aBits": 61,
    "bBits": 62,
    "sharedBits": 16,
    "unionBits": 107,
    "rdkitVersion": "2025.03.4"
  }
}