I'm having a bit of trouble regarding registration of new lots/batches of duplicate compounds. Not quite sure how to approach this problem. I need to import an SDF file containing about 12k compounds which contain many duplicates. The import would need to be done through the API and when a duplicate structure is encountered the structure would not be registered in the structure table, but rather it's related table holding data on the lots of that structure.
Say the following were structures and JChem would be encountering them from Top>Bottom while processing the SDF:
Structure X: Registered as CDID=1
Structure Y: Registered as CDID=2
Structure X: Registered as CDID=1-2 in lot table
Structure W: Registered as CDID=3
Structure Z: Registered as CDID=4
Structure X: Registered as CDID=1-3 in lot table
If anyone can assist, or point me in the right direction it would be greatly appreciated! Thanks!
FYI: I would not be opposed to performing this in JChem Cartridge, but IJC would be preferred.