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. 2022 Jul 4;13:920747. doi: 10.3389/fphar.2022.920747

FIGURE 2.

FIGURE 2

Cleavage example of an FDA-approved small-molecule durg Nafcillin (a penicillin derivative antibiotic, DrugBank Access Number DB00607), demonstrating the procedure of BRICS-based fragmentation by producing fragments on breakable bonds. In this example, the SMILES representation is CCOc1ccc2ccccc2c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O, and is broken into fragments *0CC, *NC(=O)c1c(*)ccc2ccccc12, and *C1C(=O)N2C1SC(C)(C)C2C(=O)O.