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. Author manuscript; available in PMC: 2023 Sep 9.
Published in final edited form as: J Med Chem. 2023 Feb 24;66(5):3372–3392. doi: 10.1021/acs.jmedchem.2c01858

Table 2.

Summary of Structures of Designed Molecules (Class I, II, and III)

ID Structure ID Structure ID Structure ID Structure

27a graphic file with name nihms-1900267-t0018.jpg 31a * graphic file with name nihms-1900267-t0019.jpg 31n graphic file with name nihms-1900267-t0020.jpg 35a graphic file with name nihms-1900267-t0021.jpg
27b graphic file with name nihms-1900267-t0022.jpg 31b * graphic file with name nihms-1900267-t0023.jpg 31o graphic file with name nihms-1900267-t0024.jpg 35b graphic file with name nihms-1900267-t0025.jpg
27c graphic file with name nihms-1900267-t0026.jpg 31c graphic file with name nihms-1900267-t0027.jpg 31p graphic file with name nihms-1900267-t0028.jpg 35c graphic file with name nihms-1900267-t0029.jpg
27d graphic file with name nihms-1900267-t0030.jpg 31d * graphic file with name nihms-1900267-t0031.jpg 31q graphic file with name nihms-1900267-t0032.jpg 35d graphic file with name nihms-1900267-t0033.jpg
27e graphic file with name nihms-1900267-t0034.jpg 31e * graphic file with name nihms-1900267-t0035.jpg 31r graphic file with name nihms-1900267-t0036.jpg 35e graphic file with name nihms-1900267-t0037.jpg
34a graphic file with name nihms-1900267-t0038.jpg 31f * graphic file with name nihms-1900267-t0039.jpg 31s graphic file with name nihms-1900267-t0040.jpg 35f graphic file with name nihms-1900267-t0041.jpg
Class I 34b graphic file with name nihms-1900267-t0042.jpg Class II 31g * graphic file with name nihms-1900267-t0043.jpg Class II 32a § graphic file with name nihms-1900267-t0044.jpg Class III 35g graphic file with name nihms-1900267-t0045.jpg
34c graphic file with name nihms-1900267-t0046.jpg 31h graphic file with name nihms-1900267-t0047.jpg 32b § graphic file with name nihms-1900267-t0048.jpg 35h graphic file with name nihms-1900267-t0049.jpg
34d graphic file with name nihms-1900267-t0050.jpg 31i graphic file with name nihms-1900267-t0051.jpg 32c § graphic file with name nihms-1900267-t0052.jpg 35i graphic file with name nihms-1900267-t0053.jpg
34e graphic file with name nihms-1900267-t0054.jpg 31j graphic file with name nihms-1900267-t0055.jpg 32d § graphic file with name nihms-1900267-t0056.jpg 35j graphic file with name nihms-1900267-t0057.jpg
34f graphic file with name nihms-1900267-t0058.jpg 31k graphic file with name nihms-1900267-t0059.jpg 35k graphic file with name nihms-1900267-t0060.jpg
34g graphic file with name nihms-1900267-t0061.jpg 31l graphic file with name nihms-1900267-t0062.jpg
34h graphic file with name nihms-1900267-t0063.jpg 31m graphic file with name nihms-1900267-t0064.jpg
*

The compounds contained regioisomers of benzimidazoles in indole B-rings (31a and 31b, 31d and 31e, 31f and 31g, i.e., 1N-, 2C-, or 3N-substituted).

§

Regioisomers of indazoles in indole B-rings (32a and 32b, 32c and 32d, i.e., 1N- or 2N-substituted).