Enter SMILES strings to get vendor information.

Notes:

• Example: try C(C1=CC=CC=C1)C(C(=O)[O-])=O, which is for phenyl-pyruvate
• Slow: may take ~1 min per compound - be patient!
• To get the SMILES string for your compound, use: Conversion to SMILES page
• If you have ZINC ids, you may search ZINC directly using this page
• If no exact hit on PubChem is found, the input SMILES string will be expanded into alternative protonation states.
• If no hit is found for any protonation state, a similarity search with tanimoto>=99 will be performed.
• If Emolecules.com requests you to login, enter saclab as both Username and Password, then go back in your browser and try the link again
• Current sources from which vendor information is aggregated:
  • PubChem
  • ZINC
  • Emolecules
  • ChemExper
  • ChemDB
• Please report any errors or suggestions to Tom Ioerger (ioerger@cs.tamu.edu)