PC-Compounds ::= {
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          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "4 -0.66",
          "5 -0.66",
          "58 0.37",
          "59 0.27",
          "6 -0.73",
          "60 0.27",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 0.03",
          "8 0.03",
          "9 -0.57"
        }
      },
      {
        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 {
          "14",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 6 donor",
          "1 7 donor",
          "1 8 cation",
          "1 8 donor",
          "3 7 9 23 cation",
          "4 11 18 19 20 hydrophobe",
          "5 7 9 23 26 27 rings",
          "5 8 24 25 28 29 rings",
          "6 26 27 30 31 34 35 rings",
          "6 28 29 32 33 36 37 rings",
          "6 4 5 10 13 14 16 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 2,
      atom-chiral-def 1,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 44
    }
  }
}