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              126,
              224,
              248,
              130,
              243,
              191,
              142,
              58,
              250,
              204,
              70,
              14,
              179,
              230,
              143,
              109,
              69,
              3,
              187,
              44,
              178,
              2,
              49,
              108,
              228,
              95,
              26,
              62,
              123,
              7,
              124
            }
          }
        }
      }
    },
    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 {
          "60",
          "1 -0.57",
          "10 -0.2",
          "11 -0.2",
          "12 0.06",
          "13 0.3",
          "15 0.3",
          "16 0.54",
          "18 0.3",
          "19 0.57",
          "2 -0.57",
          "20 0.09",
          "21 0.57",
          "22 0.06",
          "23 -0.15",
          "24 -0.15",
          "25 0.14",
          "26 0.12",
          "27 -0.15",
          "28 -0.15",
          "29 0.12",
          "3 -0.57",
          "30 -0.14",
          "31 -0.15",
          "32 -0.15",
          "33 -0.14",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 0.2",
          "39 0.57",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 0.1",
          "44 0.1",
          "45 0.1",
          "46 0.1",
          "47 0.1",
          "5 -0.51",
          "6 -0.66",
          "62 0.37",
          "63 0.15",
          "64 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.55",
          "70 0.15",
          "71 0.37",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.55",
          "80 0.15",
          "9 0.05"
        }
      },
      {
        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 { 158, 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 {
          "10",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 7 donor",
          "1 8 donor",
          "6 20 23 24 27 28 29 rings",
          "6 26 31 32 33 36 37 rings",
          "6 30 34 35 40 41 42 rings",
          "6 6 12 14 15 17 18 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      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 8
    }
  }
}