Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0PY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
2 InChIKey InChI 1.03 JUJWROOIHBZHMG-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 n1ccccc1
4 SMILES CACTVS 3.341 c1ccncc1
5 SMILES OpenEye OEToolkits 1.5.0 c1ccncc1
6 Canonical SMILES CACTVS 3.341 c1ccncc1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccncc1