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              83,
              164,
              67,
              222,
              184,
              163,
              258,
              23,
              91,
              173,
              243,
              60,
              75,
              95,
              1,
              13,
              139,
              188,
              54,
              192,
              204,
              135,
              15,
              33,
              208,
              248,
              53,
              103,
              25,
              267,
              117,
              199,
              129,
              47,
              17,
              48,
              12,
              90,
              104,
              64,
              266,
              44,
              113,
              63,
              114,
              111
            }
          }
        }
      }
    },
    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 {
          "42",
          "1 -0.12",
          "10 -0.41",
          "14 0.39",
          "15 0.27",
          "16 0.27",
          "17 0.27",
          "18 0.59",
          "19 0.66",
          "2 -0.08",
          "20 -0.24",
          "23 -0.15",
          "24 -0.15",
          "26 0.44",
          "27 -0.14",
          "28 -0.14",
          "29 0.28",
          "3 -0.43",
          "30 -0.15",
          "31 0.11",
          "32 -0.15",
          "33 0.14",
          "34 0.14",
          "36 -0.15",
          "37 0.14",
          "38 0.04",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 0.16",
          "5 -0.57",
          "52 0.36",
          "53 0.36",
          "6 -0.02",
          "60 0.15",
          "65 0.15",
          "66 0.15",
          "7 -0.81",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "8 -0.99",
          "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 { 112, 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 10 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 cation",
          "1 8 cation",
          "1 8 donor",
          "1 9 cation",
          "3 17 21 22 hydrophobe",
          "5 2 38 39 40 41 rings",
          "5 6 10 31 36 37 rings",
          "5 9 20 23 24 25 rings",
          "6 24 25 27 28 30 32 rings",
          "6 7 11 12 13 15 16 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 5
    }
  }
}