This repository was archived by the owner on Jun 12, 2026. It is now read-only.
This repository was archived by the owner on Jun 12, 2026. It is now read-only.
2 different structures are perceived as same #21
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The structures for IDs NCGC00249389 and NCGC00386324 appear fairly similar but there is a difference in the position of a heteratom within a ring.
Nevertheless, the 2 compounds have the same Lychi L1-3.
This fix would be useful for the NSRS project.