Datasets:
Data dictionary
Every JSONL line is one JSON object. Three named Hugging Face configurations use the same unsplit corpus designation.
records
One complete eligible investigation per row. The useful reading columns are question, beginner_question, answer, trace_markdown and limitations. The beginner question is an existing source paraphrase, not a new claim.
| Columns | Meaning |
|---|---|
| record_id, created_at | Stable source identity and original creation time |
| family, tier, template_id | Source question taxonomy and template |
| paraphrases | Recorded alternative phrasings; not independent examples |
| molecule_smiles | Canonical structures in the record registry |
| claims_json, molecules_json | Complete structured claims and molecule registry, encoded as JSON strings |
| interpretations_json, derived_questions_json | Source interpretations and proposed follow-ups |
| source_confidence_json | Computed confidence projection for every claim, including dependencies and warnings |
| prediction_timing | Whether recorded pre-call writing order was verified, unverified, or not applicable under the source policy |
| validation_gates_json | Original G1-G11 statuses |
| referee_score, referee_model | Recorded independent model review; null or empty when not supplied |
| builder_review_recorded | Whether a matching building-agent trace-review receipt exists |
| source_model | Recorded question-writer model |
| source_capture_id | SHA-256 of the original complete tools.jsonl; a grouping key |
| source_record_sha256, source_trace_sha256 | Hashes of the original source files |
| ledger_entry, ledger_line | Commitment in provenance/source-ledger.jsonl |
| related_record_ids | Explicit supersedes and derived_from links |
| tags | Propagated confidence, method and timing qualifications |
| claims_count, tool_calls_count | Counts for this record and its retained non-protocol capture |
| creator, license | ChemBricks and mit for this release |
claims
One eligible claim per row. id is record_id:claim_id. Shared fields have the meanings above.
| Columns | Meaning |
|---|---|
| statement, claim_type, property | Original claim wording, category and property identifier |
| value, value_json, unit | Numeric convenience value, lossless original JSON value, and source unit |
| verdict | Always passed in this subset |
| tool, model, trust_factor | Actual recorded method; nullable trust when unavailable |
| conditions_json | Source phase, geometry, solvent, temperature and state |
| claim_json | Complete original claim including its evidence and checks |
| source_confidence_json | Dependency-aware confidence for this claim |
| full_record_eligible | Whether the complete source investigation also appears in records |
| limitations | The source Limitations section, retained even for a claim-only source |
A null scalar value can be valid for a directional ranking or a qualitative claim. value_json is authoritative for the original type. Null does not mean zero. Trust factors and screening outputs retain their documented limitations.
evidence
One public tool-call row per pair of source_capture_id and request_id.
| Columns | Meaning |
|---|---|
| tool, status, timestamp, duration_ms | Recorded execution information |
| args_json, response_json | Exact chemical arguments and response, represented as JSON strings |
| source_line | Original line number; gaps reflect omitted protocol rows |
| public_row_json | Complete retained public row with client request metadata removed |
| source_row_sha256 | Original row hash before public-copy metadata removal |
| row_sha256 | Hash of the public row excluding its own sha256 field |
| omitted_metadata_fields | Request-envelope metadata paths removed from the public row |
Join a claim to evidence using both its source capture ID and each evidence request ID. Claim JSON paths start at the full decoded response. JSON-encoded text content may need decoding while traversing a path.
The public-row hash uses SHA-256 over JSON with sorted keys, compact separators, UTF-8 characters unescaped, no NaN, and the sha256 key omitted. The original response metadata is preserved, including request IDs. The source and public row hashes can differ without any chemical change.
Supporting files
schemas/*.schema.json: exact public row schemas.provenance/records.jsonl: source hashes, original gate states, review receipts and historical license labels.provenance/selection.jsonl: eligible and excluded claim IDs, with reasons propagated through dependencies.provenance/exclusions.json: record-level exclusions.provenance/source-ledger.jsonl: frozen ledger prefix, including commitments to sources outside the selected release.manifest.json: counts, source state, policies, transformations and file hashes.SHA256SUMS: checksums of the distributable package.
The package verifier checks internal integrity and evidence links. Source-file hashes are commitments to the original private corpus; the package does not contain every original source file required to reconstruct that corpus.