Fig. 1
![Fig. 1](http://media.springernature.com/full/springer-static/image/art%3A10.1186%2Fs43088-022-00280-6/MediaObjects/43088_2022_280_Fig1_HTML.png)
Optimized structures (A) structure of compound 4, (B) alignment and superposition of the dataset compounds (capped sticks model)
Optimized structures (A) structure of compound 4, (B) alignment and superposition of the dataset compounds (capped sticks model)