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The SMILES strings were obtained by using chemicalize.org on the relevant OSDD blog post (http://malaria.ourexperiment.org/biological_data/6734/Biological_Activities_of_OSMS106_through_116.html). Two isomers were found for \u003cem\u003eOSM-S-35\u003c/em\u003e and a conformer generated for each with OpenEye's OMEGA toolkit.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://figshare.com/articles/dataset/USRCAT_virtual_screening_results_for_compound_OSM_S_35_against_small_molecules_in_the_PDB_/639956/1","contentUrl":null,"metadataVersion":1,"schemaVersion":"http://datacite.org/schema/kernel-4","source":"mds","isActive":true,"state":"findable","reason":null,"viewCount":0,"viewsOverTime":[],"downloadCount":0,"downloadsOverTime":[],"referenceCount":0,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versionCount":0,"versionOfCount":0,"created":"2016-01-11T17:40:23.000Z","registered":"2016-01-11T17:40:24.000Z","published":"2013","updated":"2020-09-05T02:44:37.000Z"},"relationships":{"client":{"data":{"id":"figshare.ars","type":"clients"}},"provider":{"data":{"id":"otjm","type":"providers"}},"media":{"data":{"id":"10.6084/m9.figshare.639956.v1","type":"media"}},"references":{"data":[]},"citations":{"data":[]},"parts":{"data":[]},"partOf":{"data":[]},"versions":{"data":[]},"versionOf":{"data":[]}}}}