Benchmark Sets
Browse retrosynthesis benchmark datasets with ground truth routes
| Name | Description | Targets | Stock |
|---|---|---|---|
SMILES
CC(C)S(=O)(=O)N[C@H]1CCOC[C@H]1c1ccc(-c2ccc(C#N)s2)cc1
InChiKey
FFAGHPLLBXWCSF-ROUUACIJSA-N
Route Content Hash
353367c7bd14ce533c10bfac388440b21a0f14910119ec52c1735ce94baa4f26
Route Signature
e1f200571370a861b1964e4d70d9398e573076804a96a45b47a5c90b681e0ff2
Synthesis route with 8 steps
Scroll to zoom. Drag to pan. Nodes marked in green are in stock.
Route tree structure (JSON format)
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"length": 8,
"isConvergent": false
},
"target": {
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"targetId": "USPTO-039/190",
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"routeLength": 8,
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},
"hasAcceptableRoutes": true,
"acceptableRoutesCount": 1
},
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