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              15,
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              384,
              262,
              128,
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              222,
              209,
              112,
              31,
              276,
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              223,
              309,
              224,
              28,
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              25,
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              297,
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              134,
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              42,
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              88,
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              3,
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              100,
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              36,
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              29,
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              20,
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              90,
              189,
              293,
              316,
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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 {
          "51",
          "1 -0.56",
          "10 0.28",
          "11 0.3",
          "12 0.27",
          "13 0.3",
          "15 0.71",
          "16 -0.24",
          "17 -0.05",
          "18 0.42",
          "19 0.05",
          "2 -0.57",
          "21 -0.14",
          "22 -0.15",
          "23 0.28",
          "24 0.41",
          "26 0.27",
          "27 -0.14",
          "28 0.26",
          "29 -0.15",
          "3 -0.68",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 0.08",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 0.08",
          "4 -0.36",
          "40 -0.15",
          "41 -0.15",
          "42 0.28",
          "44 0.28",
          "5 -0.36",
          "6 -0.66",
          "7 -0.81",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.4",
          "79 0.15",
          "8 0.05",
          "80 0.15",
          "81 0.15"
        }
      },
      {
        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 { 82, 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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 cation",
          "1 8 cation",
          "5 8 16 17 20 22 rings",
          "6 19 21 29 31 34 36 rings",
          "6 20 22 30 32 35 37 rings",
          "6 27 33 38 39 40 41 rings",
          "7 4 5 33 39 42 43 44 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 3,
      atom-chiral-def 0,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}