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Call the CS2 Webservice

<p>Determine the Regulated Status of Compounds<br><br>Calls the Controlled Substances Squared Webservice hosted by Scitegrity to determine the controlled status of your compounds against controlled drug and related legislation from around the world. To use this component you will need an account and subscription with Scitegrity, please email contact@scitegrity.com to obtain one.<br><br>DOCUMENTATION: Scitegrity Webservice Help Page https://blog.scitegrity.com/resources/controlled-substance-squared-api-information</p>

URL: Controlled Substances Squared Website https://www.scitegrity.co.uk/index.php?page=cs2
URL: CS2 Webservice Documentation https://blog.scitegrity.com/resources/controlled-substance-squared-api-information

Compounds to check need to streamed into the CS2 Check Compounds component A table with a column named input with the SMILES or InChI strings of the compounds you would like to determine the controlled status of is required. Optionally another column named id with identifiers for the comounds can also be included. These identifiers will be included in the results CS2 searches on the following SMILES strings:CNC(C)Cc1ccc2OCOc2c1 (MDMA) and Clc1cc(C(c2c(O)c(c3cc2)nc(C)cc3)Nc4cc(C)ccn4)ccc1 (a controlled = No) are not charged for (no credits are used). Use these examples for testing purposes without using any of your CS2 search quota
CS2 controlled substance determination results will be passed out of this port
Any CS2 Errors will be passed out of this port
Click configure on this component to set the following CS2 parameters: Enter CS2 server credentials: Enter your CS2 Hosted username and password (provided by Scitegrity) Show Precursor Controls in Results: Would you like to show precursor results? If yes set this to true otherwise set this to false Jurisdictions to Search: Provide a comma separated list of the jurisdiction codes for the jurisdictions you would like to search. If you leave this blank all the jurisdictions you are subscribed to will be searched. Jurisdiction codes can be found with the webservice documentation (documentation link in workflow description).







The CS2 Check Compounds component outputs control codes as a list. To have control codes output in a comma separated string use this component.

CS2 Check Compounds
Create Example Input Data
Table Creator
Table View
Add control codes to comma separated string
Table View

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: JoeBradley
Created at: 2019-07-09
On NodePit since: 2019-10-03
Last update: 2026-02-18
Created with KNIME version: v5.8.2
Tags: CS2ScitegrityCSCSControlled SubstancesChemical RegulationsDrugsLegislationLawsNarcoticsPrecursors

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