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Chemical substances search

In advanced search for chemical substances, you can also search with structure map or the MOL format files by uploading the files.

Structure search

Structural drawings use Java Script based JSME.
How to use the JSME editor

Displays the smiles of the drawn structural drawing.
Clears the drawing area (or the current molecule, if structure contains several parts).
Delete mode (click on atom or bond to delete it).
Functional group delete mode. Choose this option and then click bond connecting the group with the main skeleton.
Switches the charged state.
Query button launches a query window that allows creation of SMARTS atom or bond queries by combining various atom attributes.
Returns to the previous state.
Redoes the previous action.
Draws a spiro ring.
Draws the bond or ring shown on the icon.
Draws the element shown on the icon.
Used for drawing an element for which there’s no icon.
Opens the functional group menu.

Searching by molecular formula
Use halfwidth alphanumeric characters. Fullwidth characters can’t be used.
Example: C6H12

Searching by uploading structural files
You can search by specifying a Molfile with the “File select” button.
You can’t use V3000 Molfiles.

Chemical substances search

In advanced search for chemical substances, you can also search with structure map or the MOL format files by uploading the files.

Structure search

Structural drawings use Java Script based JSME.
How to use the JSME editor

Displays the smiles of the drawn structural drawing.
Clears the drawing area (or the current molecule, if structure contains several parts).
Delete mode (click on atom or bond to delete it).
Functional group delete mode. Choose this option and then click bond connecting the group with the main skeleton.
Switches the charged state.
Query button launches a query window that allows creation of SMARTS atom or bond queries by combining various atom attributes.
Returns to the previous state.
Redoes the previous action.
Draws a spiro ring.
Draws the bond or ring shown on the icon.
Draws the element shown on the icon.
Used for drawing an element for which there’s no icon.
Opens the functional group menu.

Searching by molecular formula
Use halfwidth alphanumeric characters. Fullwidth characters can’t be used.
Example: C6H12

Searching by uploading structural files
You can search by specifying a Molfile with the “File select” button.
You can’t use V3000 Molfiles.