PC-Compounds ::= {
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          "35 -0.15",
          "36 0.66",
          "37 -0.15",
          "38 0.2",
          "39 -0.14",
          "4 -0.68",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 0.08",
          "5 -0.57",
          "51 0.15",
          "57 0.15",
          "6 -0.43",
          "60 0.4",
          "66 0.15",
          "67 0.15",
          "7 -0.57",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.53",
          "80 0.15",
          "81 0.15",
          "82 0.45",
          "9 0.28"
        }
      },
      {
        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 { 92, 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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 7 acceptor",
          "1 8 donor",
          "10 1 2 3 9 10 11 12 13 15 16 rings",
          "5 14 17 22 25 26 rings",
          "6 30 32 33 34 35 37 rings",
          "6 39 40 41 42 43 44 rings",
          "7 9 10 14 17 18 20 23 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 8,
      atom-chiral-def 7,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}