{
  "source": "Recorded public 36-molecule RDKit-computed logP teaching run",
  "source_sha256": {
    "Training_Set_Detailed_demo.csv": "d422c36d7727c6ebd8dbece72ba445f2c5248afda43c5bfe256fb5cf62b5fe4e",
    "Test_Set_Detailed_demo.csv": "d87f178f005867e0bc701954bc29084da1dc0417e94e40ec56c5db6586394c8d"
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  "sample": 6,
  "smiles": "CCCCCO",
  "computed_target": 1.1689,
  "prediction": 1.297038,
  "features": {
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    "TPSA": {
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  "not_a_surface_benchmark": true,
  "no_quantum_rerun_or_llm_call": true
}