Draw a structure, paste multiple SMILES or InChIs, and/or upload a file of SMILES or InChIs

 
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  • Similarity:(≥ 0.4)
  • Substructure
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Molecular Weight Filter: Limit hits to HETs from the PDB noyes ANDOR Browse for and upload your compound file (only first 100 compounds are processed). Acceptable formats are detailed here. Examples include SDfiles and SMILES lists.