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

Figure 2

2.Save the file as tab delimited file – Figure 3

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)

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)

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