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The easiest way to learn CurlySMILES is by example. Here, we provide encoding examples organized by type of molecular species or chemical material. Stereoisomers: Fragments, groups, substructures: Molecules with a structural repeat unit: Polysubstituted derivatives: Coordination compounds: Solid materials: Thin films: Defect structures: Impurities: Sets of molecules and libraries: Compositional series (non-stoichiometric phases): Miscellaneous species and materials: |
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