PC-Compounds ::= {
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        type {
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            }
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      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2021.10.14"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
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          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
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      {
        urn {
          label "Count",
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        },
        value ival 2
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      {
        urn {
          label "Count",
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          software "Cactvs",
          source "Xemistry GmbH",
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      {
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          source "Xemistry GmbH",
          release "2021.10.14"
        },
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      {
        urn {
          label "Fingerprint",
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          software "Cactvs",
          source "Xemistry GmbH",
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        },
        value binary '00000371F07830000000000000000000000000000000000000000000
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      },
      {
        urn {
          label "IUPAC Name",
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          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
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      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "heptanoic acid octadecyl ester"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "octadecyl heptanoate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "octadecyl heptanoate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "octadecyl heptanoate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "enanthic acid stearyl ester"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "InChI=1S/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19
-20-22-24-27-25(26)23-21-8-6-4-2/h3-24H2,1-2H3"
      },
      {
        urn {
          label "InChIKey",
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          source "iupac.org",
          release "2021.10.14"
        },
        value sval "ABTZKZVAJTXGNN-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Log P",
          name "XLogP3-AA",
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          version "3.0",
          source "sioc-ccbg.ac.cn",
          release "2021.10.14"
        },
        value fval { 114, 10, -1 }
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "382.381080833"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "C25H50O2"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "382.7"
      },
      {
        urn {
          label "SMILES",
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          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
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          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC"
      },
      {
        urn {
          label "Topological",
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          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 263, 10, -1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "382.381080833"
      }
    },
    count {
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      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers -1
    }
  }
}