1.Copy data from the excel file and paste it in a tab delimited file (TXT file) – Figures 1-2
Recommendation: for building an inventory your file should have three columns with CAS, Name and SMILES
Figure 1
2.Save the file as tab delimited file – Figure 3
3.Open Toolbox, go to Endpoints (1) and click on Import (2) (Figure 4)
Figure 4
Then Import wizard appears. Click on Open button (1), browse and select the TXT file (2). (Figure 5)
4.Open TXT file, select “Import as Inventory” (1), specify name of the custom inventory (2) and click Next button (3) (Figure 6)
Figure 6
5.Column with SMILES is enclosed with red rectangle, this means that system automatically recognize it. (Figure 7)
Figure 7
6. You should click on over the column with CAS (1) numbers and then to select CAS filed (2) from Define new region panel (Figure 8)
7. Repeat the last operation for column with Chemical name (Figure 9)
Figure 9
8. In order to finish the procedure click Next button. The process finished with report window (Figure 10)
Figure 10