To investigate how the selection of pre-trained datasets affects the molecular design capability of CNSMolGen, two additional datasets were selected for analysis, the ChemBL-MPO dataset and the ChemBL-ACT dataset. A detailed description of the ChemBL-MPO dataset and the ChemBL-ACT dataset collection methods can be found in the Supporting Information. We trained these two datasets using the same training procedure and default parameter settings and compared the results of the molecules generated. The results show that CNSMolGen based on the ChemBridge-MPO dataset performs best.