PC-Compounds ::= {
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          "17 0.06",
          "2 -0.68",
          "21 -0.14",
          "24 0.49",
          "25 0.28",
          "26 0.28",
          "27 0.28",
          "3 -0.68",
          "31 0.28",
          "4 -0.57",
          "5 -0.68",
          "51 0.15",
          "58 0.4",
          "6 -0.68",
          "66 0.4",
          "67 0.4",
          "68 0.4",
          "77 0.4",
          "8 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 { 68, 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 {
          "17",
          "1 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 28 hydrophobe",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
          "3 31 32 33 hydrophobe",
          "5 7 8 9 14 16 rings",
          "6 10 11 12 17 21 24 rings",
          "6 11 17 20 22 25 26 rings",
          "6 7 8 10 12 13 15 rings"
        }
      }
    },
    count {
      heavy-atom 33,
      atom-chiral 10,
      atom-chiral-def 10,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 5
    }
  }
}