PC-Compound ::= {
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        "71 0.15",
        "72 0.15",
        "73 0.15",
        "74 0.15",
        "75 0.15",
        "76 0.4",
        "77 0.15",
        "78 0.15",
        "79 0.15",
        "8 0.05"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.05.21"
      },
      value fval { 78, 10, -1 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.05.21"
      },
      value slist {
        "13",
        "1 1 acceptor",
        "1 2 acceptor",
        "1 3 acceptor",
        "1 3 donor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 7 cation",
        "1 8 cation",
        "5 4 5 39 41 42 rings",
        "5 8 15 17 20 22 rings",
        "6 19 21 28 30 33 35 rings",
        "6 20 22 29 31 34 36 rings",
        "6 32 37 38 39 40 41 rings"
      }
    }
  },
  count {
    heavy-atom 42,
    atom-chiral 3,
    atom-chiral-def 3,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}