Chemical Components in the PDB

pdbe.org/chem
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PDBeChem : Molecule Descriptor

 Molecule : STR

Encoding of molecule in descriptor string

Name

SMILES

Program

OpenEye OEToolkits

Version

1.5.0

Name

CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C