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          {
            urn {
              label "Diverse Conformer",
              name "ID List",
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      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
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          "1 -0.38",
          "10 0.27",
          "11 0.3",
          "12 0.27",
          "14 0.27",
          "16 0.3",
          "18 0.3",
          "19 0.3",
          "2 -0.38",
          "20 0.3",
          "21 0.5",
          "23 0.14",
          "24 0.3",
          "25 0.3",
          "26 0.5",
          "27 0.14",
          "3 -0.53",
          "30 -0.14",
          "31 0.14",
          "32 -0.14",
          "33 -0.14",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.53",
          "40 -0.15",
          "41 -0.15",
          "42 0.08",
          "43 -0.15",
          "44 -0.15",
          "45 0.08",
          "46 -0.15",
          "47 -0.15",
          "48 -0.15",
          "5 -0.81",
          "6 -0.66",
          "7 -0.66",
          "76 0.37",
          "8 -0.66",
          "85 0.15",
          "86 0.15",
          "87 0.15",
          "88 0.15",
          "89 0.15",
          "9 -0.73",
          "90 0.15",
          "91 0.15",
          "92 0.15",
          "93 0.15",
          "94 0.15",
          "95 0.15",
          "96 0.15",
          "97 0.15",
          "98 0.45",
          "99 0.45"
        }
      },
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        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 166, 10, -1 }
      },
      {
        urn {
          label "Features",
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          datatype stringlist,
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          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
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          "1 3 donor",
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          "5 5 10 13 14 15 rings",
          "5 6 8 18 19 21 rings",
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          "6 30 34 35 38 39 42 rings",
          "6 32 36 37 43 44 45 rings",
          "6 33 40 41 46 47 48 rings"
        }
      }
    },
    count {
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      atom-chiral 4,
      atom-chiral-def 3,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 8
    }
  }
}