PC-Compounds ::= {
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          "33 0.15",
          "4 -0.57",
          "44 0.15",
          "45 0.15",
          "46 0.4",
          "47 0.15",
          "48 0.15",
          "5 -0.6",
          "52 0.4",
          "6 0.14",
          "7 0.42",
          "8 -0.29",
          "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 { 1, 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 {
          "13",
          "1 1 acceptor",
          "1 1 donor",
          "1 10 hydrophobe",
          "1 14 hydrophobe",
          "1 2 acceptor",
          "1 22 hydrophobe",
          "1 26 hydrophobe",
          "1 27 hydrophobe",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 5 donor",
          "6 5 12 19 23 24 25 rings"
        }
      }
    },
    count {
      heavy-atom 30,
      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 4,
      bond-chiral-def 4,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 9
    }
  }
}