How to prepare a molecule file?

1. Let's take "Abacavir" as an example. First search "Abacavir" in PubChem Compound. Select the right molecule and find "Isomeric SMILES" of this molecule (if not exist, use "Canonical SMILES").

2. You can now directly submit this SMILES code to our server. If you have the MOL/MOL2/PDB/SDF structure file of your molecule, you can directly submit it as well.