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PMI_​v3000

clear existingcoordinatesremoveprevious 3d structuresv3000 sdfPrincipal Moment of Intertia(PMI)-Derived Properties RDKit OptimizeGeometry RDKit Add Hs Canonical SMILES Molecule Type Cast RDKit Add Hs RDKit OptimizeGeometry Column Filter Principal Moment of Intertia(PMI)-Derived Properties SDF Reader clear existingcoordinatesremoveprevious 3d structuresv3000 sdfPrincipal Moment of Intertia(PMI)-Derived Properties RDKit OptimizeGeometry RDKit Add Hs Canonical SMILES Molecule Type Cast RDKit Add Hs RDKit OptimizeGeometry Column Filter Principal Moment of Intertia(PMI)-Derived Properties SDF Reader

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