PC-Compounds ::= {
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          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "59",
          "1 -0.57",
          "10 -0.57",
          "11 -0.57",
          "12 -0.66",
          "13 -0.73",
          "14 -0.73",
          "15 -0.73",
          "16 -0.73",
          "17 -0.66",
          "18 0.5",
          "19 -0.14",
          "2 -0.53",
          "20 0.36",
          "21 0.14",
          "22 0.36",
          "23 0.57",
          "25 -0.15",
          "26 -0.14",
          "28 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 0.57",
          "31 0.57",
          "32 0.08",
          "33 0.3",
          "34 -0.15",
          "35 0.08",
          "36 -0.15",
          "38 0.36",
          "39 -0.15",
          "4 -0.53",
          "40 0.66",
          "41 0.36",
          "42 0.36",
          "43 0.57",
          "44 0.57",
          "45 0.28",
          "47 0.3",
          "48 0.57",
          "49 0.06",
          "5 -0.57",
          "55 0.15",
          "56 0.37",
          "57 0.15",
          "58 0.15",
          "59 0.37",
          "6 -0.65",
          "63 0.15",
          "67 0.15",
          "7 -0.57",
          "70 0.15",
          "73 0.37",
          "74 0.37",
          "8 -0.57",
          "80 0.45",
          "81 0.45",
          "85 0.5",
          "89 0.4",
          "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 { 142, 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 {
          "19",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 13 donor",
          "1 14 donor",
          "1 15 donor",
          "1 16 donor",
          "1 2 donor",
          "1 3 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "1 9 donor",
          "3 6 7 40 anion",
          "6 19 24 25 28 32 34 rings",
          "6 26 27 29 35 36 39 rings"
        }
      }
    },
    count {
      heavy-atom 49,
      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 128
    }
  }
}