PC-Compounds ::= {
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          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "51",
          "1 -0.18",
          "10 -0.81",
          "11 0.48",
          "12 0.06",
          "14 -0.33",
          "16 0.06",
          "17 0.3",
          "18 0.57",
          "19 -0.18",
          "2 -0.57",
          "20 0.18",
          "21 0.57",
          "22 0.14",
          "23 0.06",
          "25 -0.15",
          "26 0.3",
          "27 0.3",
          "28 -0.14",
          "29 -0.15",
          "3 -0.57",
          "30 0.57",
          "33 -0.15",
          "35 0.18",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 0.3",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 0.27",
          "44 0.27",
          "45 0.27",
          "46 0.28",
          "47 0.28",
          "5 -0.56",
          "58 0.27",
          "6 -0.66",
          "67 0.15",
          "7 0.03",
          "72 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.37",
          "8 -0.66",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "9 -0.73"
        }
      },
      {
        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 { 144, 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 {
          "15",
          "1 10 cation",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 cation",
          "1 7 donor",
          "1 9 donor",
          "5 7 14 19 24 25 rings",
          "6 24 25 29 33 35 36 rings",
          "6 28 37 38 40 41 42 rings",
          "6 5 10 44 45 46 47 rings",
          "6 6 11 12 13 16 18 rings",
          "6 6 11 14 17 19 20 rings",
          "6 8 26 27 31 32 34 rings"
        }
      }
    },
    count {
      heavy-atom 47,
      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 4
    }
  }
}