PC-Compounds ::= {
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          "5 -0.57",
          "58 0.15",
          "59 0.15",
          "6 -0.57",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "7 -0.66",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.81",
          "80 0.15",
          "9 0.42"
        }
      },
      {
        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 { 124, 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 {
          "10",
          "1 3 acceptor",
          "1 39 hydrophobe",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 cation",
          "6 15 22 23 28 29 34 rings",
          "6 16 25 26 31 32 36 rings",
          "6 30 37 38 40 41 42 rings",
          "6 7 9 10 11 12 13 rings",
          "6 8 14 17 18 19 20 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 3,
      atom-chiral-def 0,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}