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cbdd12106-sup-0001-Appendix-S1.docWord document1206KAppendix S1. Top 10 ranked scaffolds for fragment-based drug design. Experimental details, NMR and MS data for the synthesized compounds. The binding mode of scaffold 3 in the active site of human acrosin. Molecular weight (MW), ligand efficiency (LE) and ligand-lipophilicity efficiency of the target compounds.

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