Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FBB    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
2 InChIKey InChI 1.03 CJLUXPZQUXVJNF-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Fc1ccc2nc(sc2c1)N
4 SMILES CACTVS 3.370 Nc1sc2cc(F)ccc2n1
5 SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1F)sc(n2)N
6 Canonical SMILES CACTVS 3.370 Nc1sc2cc(F)ccc2n1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc2c(cc1F)sc(n2)N