Registering resolved compounds with unknown stereochemistry

Hi, we're trying to register resolved compounds and have run into an issue with the extended stereochemistry.  At this point we have pairs of compounds where each compound is one isomer and different from the other but the absolute stereochemistry is unknown.  We tried registering the compounds with 'or1' extended stereochemistry and opposite assumed configuration at the chiral center, however the duplicate search shows that these two are identical and does not allow the second compound to be registered.

This seems to be a similar issue as in this topic: https://www.chemaxon.com/forum/ftopic12874.html

So the problem is: we have two compounds that we can show are different (by chiral hplc), but we don't know the absolute stereochemistry and would like to register them as separate molecules with a representation that does not imply the absolute stereochemistry is known (or that the compounds are racemic).  And preferably within the existing extended stereochemistry framework.  Is there a method to do this?

For your problem we recommend the use of the Attached data functionality.

In Marvin Skecth, the Attached Data dialog - available from menu Structure>Add>Data... - serves for the addition of these data to the structures.

If you set [DUP] as Field Name and give different Field Value(s) to your structures (e.g.: isomer 1, isomer 2), duplicate search will distinguish your structures, by default.

If you set an other Field Name than [DUP], you have to apply the AttachDataMatch search option in order to find these structures as different ones during JChem duplicate search.

Please let us know if you need more detailed help.

Best regards,

Krisztina