Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DUB    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
2 InChIKey InChI 1.03 HOLHYSJJBXSLMV-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Oc1c(Cl)cccc1Cl
4 SMILES OpenEye OEToolkits 2.0.6 c1cc(c(c(c1)Cl)O)Cl
5 Canonical SMILES CACTVS 3.385 Oc1c(Cl)cccc1Cl
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(c(c1)Cl)O)Cl