PC-Compounds ::= {
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          "29 -0.2",
          "3 -0.68",
          "30 0.28",
          "31 -0.15",
          "4 -0.53",
          "5 -0.81",
          "52 0.1",
          "56 0.15",
          "57 0.4",
          "58 0.1",
          "59 0.1",
          "60 0.1",
          "61 0.1",
          "65 0.15",
          "7 0.14",
          "75 0.45",
          "8 0.28",
          "9 0.28"
        }
      },
      {
        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 { 74, 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 {
          "12",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 donor",
          "1 5 cation",
          "4 23 32 33 34 hydrophobe",
          "5 1 7 9 16 21 rings",
          "6 16 20 21 26 27 31 rings",
          "6 5 6 7 12 15 19 rings",
          "6 6 7 12 16 17 20 rings",
          "8 6 7 8 9 10 11 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 7,
      atom-chiral-def 6,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}