PC-Compounds ::= {
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          "31 0.23",
          "32 0.04",
          "33 0.36",
          "34 -0.15",
          "35 0.16",
          "36 -0.15",
          "37 -0.11",
          "38 0.16",
          "39 0.16",
          "4 -0.65",
          "5 -0.65",
          "53 0.42",
          "57 0.15",
          "58 0.15",
          "6 -0.81",
          "63 0.15",
          "64 0.15",
          "65 0.27",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.85",
          "70 0.15",
          "71 0.15",
          "8 -0.91",
          "9 0.3"
        }
      },
      {
        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 { 12, 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 {
          "11",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 12 acceptor",
          "1 6 cation",
          "1 8 donor",
          "1 9 donor",
          "5 2 32 34 36 37 rings",
          "5 6 13 14 15 16 rings",
          "5 9 10 28 30 31 rings",
          "6 11 12 33 35 38 39 rings",
          "6 19 22 23 26 27 29 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      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 3
    }
  }
}