Get_extended_compound_information_for_a_list_of_chemspider_identifiers_chemspiderIds11 A list of chemspider identifiers 2010-07-12 10:27:23.524 BST 682,236 2010-07-12 10:27:46.388 BST 682, 2010-07-12 10:27:31.712 BST securityToken00 A security token can be obtained by registration on the ChemSpider web site at http://www.chemspider.com/Register.aspx 2010-07-12 10:32:41.649 BST A security token can be obtained by registration on the ChemSpider web site on 2010-07-12 10:32:23.734 BST ALogPaverageMasscommonNamechemspiderIdinchiinchiKeymfmolWeightmonoisotopicMassnominalMasssmilesXLogPGetExtendedCompoundInfoArrayparameters0parameters00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.WSDLActivity http://www.chemspider.com/MassSpecAPI.asmx?WSDL GetExtendedCompoundInfoArray net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGetExtendedCompoundInfoArray_inputtoken0CSIDs1output00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLInputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="GetExtendedCompoundInfoArray" name="parameters" qname="{http://www.chemspider.com/}GetExtendedCompoundInfoArray"><s:elements><s:arraytype optional="true" unbounded="false" wrapped="true" typename="ArrayOfInt" name="CSIDs" qname="{http://www.chemspider.com/}&gt;GetExtendedCompoundInfoArray&gt;CSIDs"><s:elementtype><s:basetype optional="false" unbounded="false" typename="int" name="" qname="{http://www.w3.org/2001/XMLSchema}int" /></s:elementtype></s:arraytype><s:basetype optional="true" unbounded="false" typename="string" name="token" qname="{http://www.chemspider.com/}&gt;GetExtendedCompoundInfoArray&gt;token" /></s:elements></s:complextype></s:extensions> false CSIDs 1 l('text/plain') false token 0 'text/plain' 0 output 0 'text/xml' net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGetExtendedCompoundInfoArray_outputinput0GetExtendedCompoundInfoArrayResult00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLOutputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="GetExtendedCompoundInfoArrayResponse" name="parameters" qname="{http://www.chemspider.com/}GetExtendedCompoundInfoArrayResponse"><s:elements><s:arraytype optional="true" unbounded="false" wrapped="true" typename="ArrayOfExtendedCompoundInfo" name="GetExtendedCompoundInfoArrayResult" qname="{http://www.chemspider.com/}&gt;GetExtendedCompoundInfoArrayResponse&gt;GetExtendedCompoundInfoArrayResult"><s:elementtype><s:complextype optional="false" unbounded="false" typename="ExtendedCompoundInfo" name="" qname="{http://www.chemspider.com/}ExtendedCompoundInfo"><s:elements><s:basetype optional="false" unbounded="false" typename="int" name="CSID" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CSID" /><s:basetype optional="true" unbounded="false" typename="string" name="MF" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MF" /><s:basetype optional="true" unbounded="false" typename="string" name="SMILES" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;SMILES" /><s:basetype optional="true" unbounded="false" typename="string" name="InChI" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChI" /><s:basetype optional="true" unbounded="false" typename="string" name="InChIKey" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChIKey" /><s:basetype optional="false" unbounded="false" typename="double" name="AverageMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;AverageMass" /><s:basetype optional="false" unbounded="false" typename="double" name="MolecularWeight" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MolecularWeight" /><s:basetype optional="false" unbounded="false" typename="double" name="MonoisotopicMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MonoisotopicMass" /><s:basetype optional="false" unbounded="false" typename="double" name="NominalMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;NominalMass" /><s:basetype optional="false" unbounded="false" typename="double" name="ALogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;ALogP" /><s:basetype optional="false" unbounded="false" typename="double" name="XLogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;XLogP" /><s:basetype optional="true" unbounded="false" typename="string" name="CommonName" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CommonName" /></s:elements></s:complextype></s:elementtype></s:arraytype></s:elements></s:complextype></s:extensions> java.lang.String false input 0 'text/xml' 0 GetExtendedCompoundInfoArrayResult 0 'text/xml' net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGetExtendedCompoundInfoArray_GetExtendedCompoundInfoArrayResultinput0GetExtendedCompoundInfoArrayResult11net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLOutputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:arraytype optional="true" unbounded="false" wrapped="true" typename="ArrayOfExtendedCompoundInfo" name="GetExtendedCompoundInfoArrayResult" qname="{http://www.chemspider.com/}&gt;GetExtendedCompoundInfoArrayResponse&gt;GetExtendedCompoundInfoArrayResult"><s:elementtype><s:complextype optional="false" unbounded="false" typename="ExtendedCompoundInfo" name="" qname="{http://www.chemspider.com/}ExtendedCompoundInfo"><s:elements><s:basetype optional="false" unbounded="false" typename="int" name="CSID" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CSID" /><s:basetype optional="true" unbounded="false" typename="string" name="MF" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MF" /><s:basetype optional="true" unbounded="false" typename="string" name="SMILES" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;SMILES" /><s:basetype optional="true" unbounded="false" typename="string" name="InChI" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChI" /><s:basetype optional="true" unbounded="false" typename="string" name="InChIKey" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChIKey" /><s:basetype optional="false" unbounded="false" typename="double" name="AverageMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;AverageMass" /><s:basetype optional="false" unbounded="false" typename="double" name="MolecularWeight" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MolecularWeight" /><s:basetype optional="false" unbounded="false" typename="double" name="MonoisotopicMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MonoisotopicMass" /><s:basetype optional="false" unbounded="false" typename="double" name="NominalMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;NominalMass" /><s:basetype optional="false" unbounded="false" typename="double" name="ALogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;ALogP" /><s:basetype optional="false" unbounded="false" typename="double" name="XLogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;XLogP" /><s:basetype optional="true" unbounded="false" typename="string" name="CommonName" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CommonName" /></s:elements></s:complextype></s:elementtype></s:arraytype></s:extensions> java.lang.String false input 0 'text/xml' 1 GetExtendedCompoundInfoArrayResult 1 l('text/xml') net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultinput0ALogP00AverageMass00CommonName00CSID00InChI00InChIKey00MF00MolecularWeight00MonoisotopicMass00NominalMass00SMILES00XLogP00net.sf.taverna.t2.activitieswsdl-activity1.2net.sf.taverna.t2.activities.wsdl.xmlsplitter.XMLOutputSplitterActivity <s:extensions xmlns:s="http://org.embl.ebi.escience/xscufl/0.1alpha"><s:complextype optional="false" unbounded="false" typename="ExtendedCompoundInfo" name="" qname="{http://www.chemspider.com/}ExtendedCompoundInfo"><s:elements><s:basetype optional="false" unbounded="false" typename="int" name="CSID" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CSID" /><s:basetype optional="true" unbounded="false" typename="string" name="MF" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MF" /><s:basetype optional="true" unbounded="false" typename="string" name="SMILES" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;SMILES" /><s:basetype optional="true" unbounded="false" typename="string" name="InChI" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChI" /><s:basetype optional="true" unbounded="false" typename="string" name="InChIKey" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;InChIKey" /><s:basetype optional="false" unbounded="false" typename="double" name="AverageMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;AverageMass" /><s:basetype optional="false" unbounded="false" typename="double" name="MolecularWeight" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MolecularWeight" /><s:basetype optional="false" unbounded="false" typename="double" name="MonoisotopicMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;MonoisotopicMass" /><s:basetype optional="false" unbounded="false" typename="double" name="NominalMass" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;NominalMass" /><s:basetype optional="false" unbounded="false" typename="double" name="ALogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;ALogP" /><s:basetype optional="false" unbounded="false" typename="double" name="XLogP" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;XLogP" /><s:basetype optional="true" unbounded="false" typename="string" name="CommonName" qname="{http://www.chemspider.com/}ExtendedCompoundInfo&gt;CommonName" /></s:elements></s:complextype></s:extensions> java.lang.String false input 0 'text/xml' 0 CSID 0 'text/plain' 0 MF 0 'text/plain' 0 SMILES 0 'text/plain' 0 InChI 0 'text/plain' 0 InChIKey 0 'text/plain' 0 AverageMass 0 'text/plain' 0 MolecularWeight 0 'text/plain' 0 MonoisotopicMass 0 'text/plain' 0 NominalMass 0 'text/plain' 0 ALogP 0 'text/plain' 0 XLogP 0 'text/plain' 0 CommonName 0 'text/plain' net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Invokesplitstring0regex0split11net.sf.taverna.t2.activitieslocalworker-activity1.2net.sf.taverna.t2.activities.localworker.LocalworkerActivity org.embl.ebi.escience.scuflworkers.java.SplitByRegex workflow java.lang.String true string 0 'text/plain' java.lang.String true regex 0 'text/plain' 1 split 1 l('text/plain') net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Invokeregex_valuevalue00net.sf.taverna.t2.activitiesstringconstant-activity1.2net.sf.taverna.t2.activities.stringconstant.StringConstantActivity , net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Parallelize 1 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.ErrorBouncenet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Failovernet.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.Retry 1.0 1000 5000 0 net.sf.taverna.t2.coreworkflowmodel-impl1.2net.sf.taverna.t2.workflowmodel.processor.dispatch.layers.InvokeGetExtendedCompoundInfoArrayparametersGetExtendedCompoundInfoArray_inputoutputGetExtendedCompoundInfoArray_inputtokensecurityTokenGetExtendedCompoundInfoArray_inputCSIDssplitsplitGetExtendedCompoundInfoArray_outputinputGetExtendedCompoundInfoArrayparametersGetExtendedCompoundInfoArray_GetExtendedCompoundInfoArrayResultinputGetExtendedCompoundInfoArray_outputGetExtendedCompoundInfoArrayResultGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultinputGetExtendedCompoundInfoArray_GetExtendedCompoundInfoArrayResultGetExtendedCompoundInfoArrayResultsplitstringchemspiderIdssplitregexregex_valuevalueALogPGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultALogPaverageMassGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultAverageMasscommonNameGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultCommonNamechemspiderIdGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultCSIDinchiGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultInChIinchiKeyGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultInChIKeymfGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultMFmolWeightGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultMolecularWeightmonoisotopicMassGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultMonoisotopicMassnominalMassGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultNominalMasssmilesGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultSMILESXLogPGetExtendedCompoundInfoArrayResult_GetExtendedCompoundInfoArrayResultXLogP Peter Li 2010-07-12 10:30:00.817 BST Get extended compound information for a list of chemspider identifiers 2010-07-12 10:30:30.799 BST d327838f-59d5-4805-a4cb-56b4852dbbea 2010-07-12 10:32:42.990 BST 5deb10e8-3fa8-440d-8f3d-0b8ef2ccb71b 2010-07-12 10:28:35.738 BST 97a6e72e-7e68-4930-be4a-34f31b9f562d 2010-07-12 10:24:37.466 BST 909521e0-d02a-4be4-b8d0-9672baaab0f1 2010-07-12 10:30:54.99 BST