📚 Manage Lookup Table
What is the lookup table?
The lookup table is a local database of CAS numbers and their corresponding SMILES/MW/XlogP values. It's used as a fallback when PubChem API is unavailable.
💾 Auto-Save Feature: All changes are automatically saved to your browser's local storage.
☁️ Cloudflare Integration: The lookup table automatically loads from Cloudflare when the page loads. Use "Reload from Cloudflare" to refresh the data.
The lookup table is a local database of CAS numbers and their corresponding SMILES/MW/XlogP values. It's used as a fallback when PubChem API is unavailable.
💾 Auto-Save Feature: All changes are automatically saved to your browser's local storage.
☁️ Cloudflare Integration: The lookup table automatically loads from Cloudflare when the page loads. Use "Reload from Cloudflare" to refresh the data.
Expected File Format:
CSV or Excel file (.csv, .xls, .xlsx) with columns:
• Name (or Compound name) - Required
• SMILES - Required
• CAS - Optional (if provided, will be used as primary key)
• Synonyms - Optional (CAS numbers will be automatically extracted from this column if CAS column is missing)
(Column names are case-insensitive and can be in any order)
CSV or Excel file (.csv, .xls, .xlsx) with columns:
• Name (or Compound name) - Required
• SMILES - Required
• CAS - Optional (if provided, will be used as primary key)
• Synonyms - Optional (CAS numbers will be automatically extracted from this column if CAS column is missing)
(Column names are case-insensitive and can be in any order)
📁
Click to Upload or Drag & Drop
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Enter SMILES and either CAS or Name. MW and XlogP are optional.