Add a R-Group decomposition chemistry analysis from the ChemCharts Chemistry visualization

Prior to this task:

✔ ChemCharts Chemistry visualization must be added.

1️⃣ Chemistry visual ➡ select [Property calculation, r-group decomposition and more]
2️⃣ Chemistry visual ➡ select [Add new chemistry analysis] ➡ select R-Group decomposition
3️⃣ R-Group decomposition window ➡ draw structure(s) as Core
4️⃣ R-Group decomposition window ➡ select Structure column Output format Core definition options More options
5️⃣ R-Group decomposition window ➡ select [OK]

Supporting Knowledge

Note: Results are added to the same data table as input structures, with matching cores in a Core column and R-Groups in sequentially numbered R# columns. Output formats include both Molfile (preserving original orientation) and SMILES.

Core Definition Options: Cores can be entered with undefined or user-defined R-Group positions. When undefined, positions are automatically identified based on input structures. User-defined positions provide control over R-Group output column ordering. 

• Only match R-Group atoms defined in core restricts matching to only user-defined positions (requires at least one defined position), excluding structures with R-Groups at other positions.
• Allow fragmented single core enables decomposition on disconnected cores, requiring structures to match all sketched fragments.