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MolAndDS2CSID

Search for structure that matches provided MOL within the range specified by options and within the specified list of datasources. Returns found CSID list. Security token with Service Subscriber role is required. The search converts the Mol to an InChI and the options parameter allows different layers of the InChI to be searched for against ChemSpider InChIs. For example: eSameSkeleton searches on the connection layer alone (not the h layer - just the connectivity of the rest of the molecule); eAllTautomers searches on everything but the fixed-hydrogen layer; eAllIsomers searches on the molecular formula expression at the beginning of the InChI.

Test

The test form is only available for methods with primitive types as parameters.

SOAP 1.1

The following is a sample SOAP 1.1 request and response. The placeholders shown need to be replaced with actual values.

POST /Search.asmx HTTP/1.1
Host: www.chemspider.com
Content-Type: text/xml; charset=utf-8
Content-Length: length
SOAPAction: "http://www.chemspider.com/MolAndDS2CSID"

<?xml version="1.0" encoding="utf-8"?>
<soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/">
  <soap:Body>
    <MolAndDS2CSID xmlns="http://www.chemspider.com/">
      <mol>string</mol>
      <options>eExactMatch or eAllTautomers or eSameSkeletonAndH or eSameSkeleton or eAllIsomers</options>
      <datasources>
        <string>string</string>
        <string>string</string>
      </datasources>
      <token>string</token>
    </MolAndDS2CSID>
  </soap:Body>
</soap:Envelope>
HTTP/1.1 200 OK
Content-Type: text/xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/">
  <soap:Body>
    <MolAndDS2CSIDResponse xmlns="http://www.chemspider.com/">
      <MolAndDS2CSIDResult>
        <int>int</int>
        <int>int</int>
      </MolAndDS2CSIDResult>
    </MolAndDS2CSIDResponse>
  </soap:Body>
</soap:Envelope>

SOAP 1.2

The following is a sample SOAP 1.2 request and response. The placeholders shown need to be replaced with actual values.

POST /Search.asmx HTTP/1.1
Host: www.chemspider.com
Content-Type: application/soap+xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope">
  <soap12:Body>
    <MolAndDS2CSID xmlns="http://www.chemspider.com/">
      <mol>string</mol>
      <options>eExactMatch or eAllTautomers or eSameSkeletonAndH or eSameSkeleton or eAllIsomers</options>
      <datasources>
        <string>string</string>
        <string>string</string>
      </datasources>
      <token>string</token>
    </MolAndDS2CSID>
  </soap12:Body>
</soap12:Envelope>
HTTP/1.1 200 OK
Content-Type: application/soap+xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope">
  <soap12:Body>
    <MolAndDS2CSIDResponse xmlns="http://www.chemspider.com/">
      <MolAndDS2CSIDResult>
        <int>int</int>
        <int>int</int>
      </MolAndDS2CSIDResult>
    </MolAndDS2CSIDResponse>
  </soap12:Body>
</soap12:Envelope>

HTTP GET

The following is a sample HTTP GET request and response. The placeholders shown need to be replaced with actual values.

GET /Search.asmx/MolAndDS2CSID?mol=string&options=string&datasources=string&datasources=string&token=string HTTP/1.1
Host: www.chemspider.com
HTTP/1.1 200 OK
Content-Type: text/xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<ArrayOfInt xmlns="http://www.chemspider.com/">
  <int>int</int>
  <int>int</int>
</ArrayOfInt>

HTTP POST

The following is a sample HTTP POST request and response. The placeholders shown need to be replaced with actual values.

POST /Search.asmx/MolAndDS2CSID HTTP/1.1
Host: www.chemspider.com
Content-Type: application/x-www-form-urlencoded
Content-Length: length

mol=string&options=string&datasources=string&datasources=string&token=string
HTTP/1.1 200 OK
Content-Type: text/xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<ArrayOfInt xmlns="http://www.chemspider.com/">
  <int>int</int>
  <int>int</int>
</ArrayOfInt>