PC-Compounds ::= {
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          "33 0.54",
          "34 0.54",
          "35 0.28",
          "36 0.28",
          "37 -0.07",
          "38 -0.07",
          "39 0.04",
          "4 -0.56",
          "40 0.04",
          "41 0.14",
          "42 0.14",
          "43 0.87",
          "44 0.87",
          "45 0.55",
          "46 0.55",
          "5 -0.55",
          "59 0.4",
          "6 -0.55",
          "60 0.4",
          "61 0.15",
          "62 0.15",
          "63 0.4",
          "64 0.4",
          "65 0.5",
          "66 0.5",
          "67 0.4",
          "68 0.4",
          "69 0.4",
          "7 -0.55",
          "70 0.4",
          "8 -0.55",
          "9 -0.68"
        }
      },
      {
        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 { 44, 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 {
          "26",
          "1 10 acceptor",
          "1 10 donor",
          "1 11 acceptor",
          "1 12 acceptor",
          "1 13 acceptor",
          "1 14 acceptor",
          "1 15 acceptor",
          "1 16 acceptor",
          "1 19 donor",
          "1 20 donor",
          "1 23 donor",
          "1 24 donor",
          "1 25 donor",
          "1 26 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 9 acceptor",
          "1 9 donor",
          "3 17 21 39 cation",
          "3 18 22 40 cation",
          "5 17 21 37 39 41 rings",
          "5 18 22 38 40 42 rings",
          "5 3 27 29 31 33 rings",
          "5 4 28 30 32 34 rings",
          "6 19 23 37 41 43 45 rings",
          "6 20 24 38 42 44 46 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 8,
      atom-chiral-def 8,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 21
    }
  }
}