PC-Compounds ::= {
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          "39 -0.15",
          "4 -0.57",
          "40 -0.09",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "5 -0.57",
          "55 0.37",
          "56 0.4",
          "6 -0.57",
          "7 -0.66",
          "74 0.15",
          "8 -0.66",
          "80 0.15",
          "81 0.27",
          "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 { 8, 10, 0 }
      },
      {
        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 {
          "20",
          "1 1 hydrophobe",
          "1 10 cation",
          "1 11 cation",
          "1 11 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 9 donor",
          "3 22 24 25 hydrophobe",
          "3 23 30 31 hydrophobe",
          "5 11 36 37 39 40 rings",
          "5 2 7 13 16 19 rings",
          "5 8 12 15 17 18 rings",
          "6 10 27 28 29 32 33 rings",
          "6 28 32 34 35 36 37 rings",
          "6 35 37 39 41 42 43 rings",
          "6 7 8 12 13 14 20 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 6,
      atom-chiral-def 6,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}