<?xml version='1.0' encoding='utf-8'?>
<eprints xmlns='http://eprints.org/ep2/data/2.0'>
  <eprint id='http://edata.bham.ac.uk/id/eprint/1159'>
    <eprintid>1159</eprintid>
    <rev_number>187</rev_number>
    <documents>
      <document id='http://edata.bham.ac.uk/id/document/6609'>
        <docid>6609</docid>
        <rev_number>22</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36193'>
            <fileid>36193</fileid>
            <datasetid>document</datasetid>
            <objectid>6609</objectid>
            <filename>Folder descriptions.txt</filename>
            <mime_type>text/plain</mime_type>
            <hash>2e25988869c2a776c4a2faea101b475f</hash>
            <hash_type>MD5</hash_type>
            <filesize>151</filesize>
            <mtime>2025-01-30 15:51:05</mtime>
            <url>http://edata.bham.ac.uk/1159/11/Folder%20descriptions.txt</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>11</pos>
        <placement>1</placement>
        <mime_type>text/plain</mime_type>
        <format>text</format>
        <security>public</security>
        <license>cc_by_4</license>
        <main>Folder descriptions.txt</main>
        <content>readme</content>
      </document>
      <document id='http://edata.bham.ac.uk/id/document/6610'>
        <docid>6610</docid>
        <rev_number>20</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36197'>
            <fileid>36197</fileid>
            <datasetid>document</datasetid>
            <objectid>6610</objectid>
            <filename>Compound characterisation checklist and compound numbers.xlsx</filename>
            <mime_type>application/vnd.openxmlformats-officedocument.spreadsheetml.sheet</mime_type>
            <hash>132d72b2b4583bb0c92f0f77bf1eeffb</hash>
            <hash_type>MD5</hash_type>
            <filesize>1327525</filesize>
            <mtime>2025-01-30 15:53:17</mtime>
            <url>http://edata.bham.ac.uk/1159/12/Compound%20characterisation%20checklist%20and%20compound%20numbers.xlsx</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>12</pos>
        <placement>2</placement>
        <mime_type>application/vnd.openxmlformats-officedocument.spreadsheetml.sheet</mime_type>
        <format>spreadsheet</format>
        <security>public</security>
        <license>cc_by_4</license>
        <main>Compound characterisation checklist and compound numbers.xlsx</main>
        <content>data</content>
      </document>
      <document id='http://edata.bham.ac.uk/id/document/6611'>
        <docid>6611</docid>
        <rev_number>12</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36202'>
            <fileid>36202</fileid>
            <datasetid>document</datasetid>
            <objectid>6611</objectid>
            <filename>6-7 Spiroacetal library compounds.zip</filename>
            <mime_type>application/zip</mime_type>
            <hash>02741c2eb1496d77cd9d7287338811c3</hash>
            <hash_type>MD5</hash_type>
            <filesize>32852642</filesize>
            <mtime>2025-01-30 16:09:53</mtime>
            <url>http://edata.bham.ac.uk/1159/13/6-7%20Spiroacetal%20library%20compounds.zip</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>13</pos>
        <placement>8</placement>
        <mime_type>application/zip</mime_type>
        <format>archive</format>
        <security>public</security>
        <license>cc_by_4</license>
        <main>6-7 Spiroacetal library compounds.zip</main>
        <content>data</content>
      </document>
      <document id='http://edata.bham.ac.uk/id/document/6612'>
        <docid>6612</docid>
        <rev_number>11</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36207'>
            <fileid>36207</fileid>
            <datasetid>document</datasetid>
            <objectid>6612</objectid>
            <filename>6-6 Spiroacetal library compounds.zip</filename>
            <mime_type>application/zip</mime_type>
            <hash>d6caab69159fa1d765737cb12874efbc</hash>
            <hash_type>MD5</hash_type>
            <filesize>196597990</filesize>
            <mtime>2025-01-30 16:13:51</mtime>
            <url>http://edata.bham.ac.uk/1159/14/6-6%20Spiroacetal%20library%20compounds.zip</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>14</pos>
        <placement>7</placement>
        <mime_type>application/zip</mime_type>
        <format>archive</format>
        <security>public</security>
        <license>cc_by_4</license>
        <main>6-6 Spiroacetal library compounds.zip</main>
        <content>data</content>
      </document>
      <document id='http://edata.bham.ac.uk/id/document/6613'>
        <docid>6613</docid>
        <rev_number>12</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36219'>
            <fileid>36219</fileid>
            <datasetid>document</datasetid>
            <objectid>6613</objectid>
            <filename>Chloromethyl derivatives.zip</filename>
            <mime_type>application/zip</mime_type>
            <hash>7f005cc6547e35630fe56e9ea6094356</hash>
            <hash_type>MD5</hash_type>
            <filesize>73762267</filesize>
            <mtime>2025-01-30 16:16:17</mtime>
            <url>http://edata.bham.ac.uk/1159/15/Chloromethyl%20derivatives.zip</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>15</pos>
        <placement>4</placement>
        <mime_type>application/zip</mime_type>
        <format>archive</format>
        <security>public</security>
        <license>cc_by_4</license>
        <main>Chloromethyl derivatives.zip</main>
        <content>data</content>
      </document>
      <document id='http://edata.bham.ac.uk/id/document/6614'>
        <docid>6614</docid>
        <rev_number>11</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36227'>
            <fileid>36227</fileid>
            <datasetid>document</datasetid>
            <objectid>6614</objectid>
            <filename>Enol ethers.zip</filename>
            <mime_type>application/zip</mime_type>
            <hash>39b9ef8ccc57d925c7aba3b0936753a4</hash>
            <hash_type>MD5</hash_type>
            <filesize>18018838</filesize>
            <mtime>2025-01-30 16:17:25</mtime>
            <url>http://edata.bham.ac.uk/1159/16/Enol%20ethers.zip</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>16</pos>
        <placement>5</placement>
        <mime_type>application/zip</mime_type>
        <format>archive</format>
        <security>public</security>
        <license>cc_by_4</license>
        <main>Enol ethers.zip</main>
        <content>data</content>
      </document>
      <document id='http://edata.bham.ac.uk/id/document/6615'>
        <docid>6615</docid>
        <rev_number>11</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36236'>
            <fileid>36236</fileid>
            <datasetid>document</datasetid>
            <objectid>6615</objectid>
            <filename>Library enumeration.zip</filename>
            <mime_type>application/zip</mime_type>
            <hash>7c8e808f6c20ad8d892945b1d7f8ef36</hash>
            <hash_type>MD5</hash_type>
            <filesize>4207828</filesize>
            <mtime>2025-01-30 16:18:26</mtime>
            <url>http://edata.bham.ac.uk/1159/17/Library%20enumeration.zip</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>17</pos>
        <placement>9</placement>
        <mime_type>application/zip</mime_type>
        <format>archive</format>
        <security>public</security>
        <license>cc_by_4</license>
        <main>Library enumeration.zip</main>
        <content>data</content>
      </document>
      <document id='http://edata.bham.ac.uk/id/document/6616'>
        <docid>6616</docid>
        <rev_number>1</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36265'>
            <fileid>36265</fileid>
            <datasetid>document</datasetid>
            <objectid>6616</objectid>
            <filename>indexcodes.txt</filename>
            <mime_type>text/x-c</mime_type>
            <hash>da7c3146b2165875c22b91ea7baa6a48</hash>
            <hash_type>MD5</hash_type>
            <filesize>108</filesize>
            <mtime>2025-01-30 18:23:26</mtime>
            <url>http://edata.bham.ac.uk/1159/18/indexcodes.txt</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>18</pos>
        <placement>18</placement>
        <mime_type>text/x-c</mime_type>
        <format>other</format>
        <formatdesc>Generate index codes conversion from text to indexcodes</formatdesc>
        <security>public</security>
        <main>indexcodes.txt</main>
        <content>data</content>
        <relation>
          <item>
            <type>http://eprints.org/relation/isVersionOf</type>
            <uri>http://edata.bham.ac.uk/id/document/6609</uri>
          </item>
          <item>
            <type>http://eprints.org/relation/isVolatileVersionOf</type>
            <uri>http://edata.bham.ac.uk/id/document/6609</uri>
          </item>
          <item>
            <type>http://eprints.org/relation/isIndexCodesVersionOf</type>
            <uri>http://edata.bham.ac.uk/id/document/6609</uri>
          </item>
        </relation>
      </document>
      <document id='http://edata.bham.ac.uk/id/document/6617'>
        <docid>6617</docid>
        <rev_number>7</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36267'>
            <fileid>36267</fileid>
            <datasetid>document</datasetid>
            <objectid>6617</objectid>
            <filename>Stoltz chemistry.zip</filename>
            <mime_type>application/zip</mime_type>
            <hash>1b82676550befce97beb5a6d37c85c6c</hash>
            <hash_type>MD5</hash_type>
            <filesize>393559564</filesize>
            <mtime>2025-01-31 09:50:24</mtime>
            <url>http://edata.bham.ac.uk/1159/19/Stoltz%20chemistry.zip</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>19</pos>
        <placement>3</placement>
        <mime_type>application/zip</mime_type>
        <format>archive</format>
        <security>public</security>
        <license>cc_by_4</license>
        <main>Stoltz chemistry.zip</main>
        <content>data</content>
      </document>
      <document id='http://edata.bham.ac.uk/id/document/6618'>
        <docid>6618</docid>
        <rev_number>8</rev_number>
        <files>
          <file id='http://edata.bham.ac.uk/id/file/36275'>
            <fileid>36275</fileid>
            <datasetid>document</datasetid>
            <objectid>6618</objectid>
            <filename>Spiroacetals.zip</filename>
            <mime_type>application/zip</mime_type>
            <hash>c236b337e6de1322b5f2ddfce0dfc085</hash>
            <hash_type>MD5</hash_type>
            <filesize>420729674</filesize>
            <mtime>2025-01-31 09:58:02</mtime>
            <url>http://edata.bham.ac.uk/1159/20/Spiroacetals.zip</url>
          </file>
        </files>
        <eprintid>1159</eprintid>
        <pos>20</pos>
        <placement>6</placement>
        <mime_type>application/zip</mime_type>
        <format>archive</format>
        <security>public</security>
        <license>cc_by_4</license>
        <main>Spiroacetals.zip</main>
        <content>data</content>
      </document>
    </documents>
    <eprint_status>archive</eprint_status>
    <userid>574</userid>
    <dir>disk0/00/00/11/59</dir>
    <datestamp>2024-09-06 09:23:54</datestamp>
    <lastmod>2025-02-04 11:21:18</lastmod>
    <status_changed>2025-02-04 11:21:18</status_changed>
    <type>data_collection</type>
    <metadata_visibility>show</metadata_visibility>
    <creators>
      <item>
        <name>
          <family>Cox</family>
          <given>Liam R.</given>
        </name>
        <id>l.r.cox@bham.ac.uk</id>
        <orcid>0000-0001-7018-3904</orcid>
      </item>
      <item>
        <name>
          <family>Kovari</family>
          <given>Daniel</given>
        </name>
        <id>dxk840@alumni.bham.ac.uk</id>
        <orcid>0009-0007-7610-9001</orcid>
      </item>
      <item>
        <name>
          <family>Male</family>
          <given>Louise</given>
        </name>
        <id>l.male@bham.ac.uk</id>
        <orcid>0000-0002-8295-2528</orcid>
      </item>
      <item>
        <name>
          <family>Roper</family>
          <given>Kimberley A</given>
        </name>
        <id>k.a.roper@bham.ac.uk</id>
        <orcid>0000-0002-0358-6815</orcid>
      </item>
      <item>
        <name>
          <family>Mang</family>
          <given>Christian</given>
        </name>
        <id>c.mang@ac-discovery.com</id>
        <orcid>0000-0002-3464-183X</orcid>
      </item>
      <item>
        <name>
          <family>Kunz</family>
          <given>Oliver</given>
        </name>
        <id>o.kunz@ac-discovery.com</id>
      </item>
    </creators>
    <corp_creators>
      <item>AnalytiCon Discovery GmbH, Germany</item>
    </corp_creators>
    <title>Research data supporting: &quot;A short scalable route to bis-morpholine spiroacetals and oxazepane analogues: useful 3D-scaffolds for compound library assembly&quot;</title>
    <divisions>
      <item>10col_ephy</item>
    </divisions>
    <keywords>spiroacetal, morpholine, oxazepane, compound library, drug discovery, virtual library enumeration, diversity sets, nitrogen heterocycle</keywords>
    <abstract>Compound characterisation data including: NMR spectroscopic data, LC-MS / mass spectrometric data, IR data, compound library enumeration, including KNIME workflows</abstract>
    <date>2024-09-17</date>
    <date_type>published</date_type>
    <publisher>University of Birmingham</publisher>
    <id_number>https://doi.org/10.25500/edata.bham.00001159</id_number>
    <data_type>Dataset</data_type>
    <contact_email>research-data@contacts.bham.ac.uk</contact_email>
    <department>
      <item>School of Chemistry</item>
      <item>School of Pharmacy</item>
    </department>
    <funders>
      <item>ec</item>
    </funders>
    <projects>
      <item>765116</item>
    </projects>
    <secondary_language>en</secondary_language>
    <data_protection_legislation>yes</data_protection_legislation>
    <funder_reqs>yes</funder_reqs>
    <contractual_reqs>yes</contractual_reqs>
    <university_reqs>TRUE</university_reqs>
    <contact_details>
      <role>Principal Investigator</role>
      <name>
        <family>Cox</family>
        <given>Liam R.</given>
      </name>
      <id>l.r.cox@bham.ac.uk</id>
    </contact_details>
    <geographic_cover>United Kingdom, Germany</geographic_cover>
    <language>en</language>
  </eprint>
</eprints>
