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              55,
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              25,
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              183,
              102,
              331,
              22,
              225,
              360,
              92,
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              340,
              78,
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              374,
              28,
              231,
              293,
              191,
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              221,
              98,
              37,
              267,
              39,
              188,
              290,
              7,
              229,
              287,
              190,
              294,
              213,
              315,
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              348,
              274,
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              73,
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              97,
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              76,
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              241,
              206,
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              14,
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            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "44",
          "1 -0.18",
          "10 0.33",
          "13 0.27",
          "14 0.27",
          "15 0.27",
          "16 0.27",
          "17 0.45",
          "18 0.27",
          "2 -0.18",
          "23 0.42",
          "24 0.33",
          "25 0.3",
          "26 -0.14",
          "27 0.28",
          "28 0.3",
          "29 -0.15",
          "3 -0.56",
          "30 -0.15",
          "31 0.54",
          "32 0.27",
          "33 0.18",
          "34 -0.15",
          "35 0.09",
          "36 0.18",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "5 -0.57",
          "6 -0.81",
          "7 -0.81",
          "72 0.36",
          "73 0.15",
          "74 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.66",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "9 -0.9"
        }
      },
      {
        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 { 136, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "12",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 cation",
          "1 9 cation",
          "1 9 donor",
          "6 26 29 30 33 34 36 rings",
          "6 3 8 23 25 27 28 rings",
          "6 35 37 38 39 40 41 rings",
          "6 6 15 16 19 20 22 rings",
          "6 7 10 11 12 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}