PC-Compounds ::= {
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          "36 -0.15",
          "37 -0.15",
          "4 -0.68",
          "5 -0.68",
          "50 0.36",
          "51 0.4",
          "52 0.4",
          "53 0.4",
          "55 0.37",
          "6 -0.68",
          "64 0.5",
          "65 0.15",
          "66 0.27",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.77",
          "70 0.15",
          "71 0.5",
          "8 -0.7",
          "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 { 132, 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 {
          "20",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 13 donor",
          "1 14 cation",
          "1 14 donor",
          "1 2 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "3 10 11 31 anion",
          "3 23 26 27 hydrophobe",
          "5 14 29 30 32 33 rings",
          "6 2 15 16 17 18 19 rings",
          "6 30 32 34 35 36 37 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 7,
      atom-chiral-def 7,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}