PC-Compounds ::= {
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              7,
              99,
              15,
              261,
              198,
              55,
              51,
              35,
              282,
              113,
              311,
              132,
              14
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "21",
          "1 -0.68",
          "11 0.34",
          "13 0.14",
          "14 0.28",
          "19 -0.28",
          "2 -0.68",
          "20 0.14",
          "23 0.45",
          "24 0.06",
          "25 -0.14",
          "26 0.49",
          "27 0.34",
          "28 0.66",
          "29 0.06",
          "3 -0.57",
          "4 -0.43",
          "5 -0.57",
          "52 0.4",
          "55 0.4",
          "56 0.15",
          "6 -0.57"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 58, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "11",
          "1 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "5 7 8 11 15 16 rings",
          "6 13 19 21 24 25 26 rings",
          "6 7 8 9 10 12 14 rings",
          "6 9 10 13 17 19 20 rings"
        }
      }
    },
    count {
      heavy-atom 29,
      atom-chiral 7,
      atom-chiral-def 3,
      atom-chiral-undef 4,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 10
    }
  }
}