compounds.csv (2.53 MB)

Compounds

dataset

posted on 2017-11-28, 03:22 authored by Peter SpackmanPeter Spackman

Complete list of compounds used in this library, by CSD refcode.

The 'n' column indicates the number/identifier of the molecule
in the asymmetric unit.

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Keywords

ligand based virtual screening crystal structure molecular shape Solid State Chemistry Theoretical and Computational Chemistry not elsewhere classified

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CC BY 4.0

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