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              37,
              133,
              141,
              123,
              211,
              33,
              10,
              99,
              212,
              24,
              231,
              183,
              154,
              8,
              70,
              15,
              50,
              103,
              12,
              31,
              52,
              166,
              145,
              112,
              73,
              80,
              113,
              108,
              26,
              75,
              230,
              86,
              46,
              72,
              127,
              22,
              60,
              161,
              92,
              216,
              156,
              153,
              104,
              40,
              16,
              78,
              100,
              59,
              131,
              56,
              199,
              177,
              91,
              27,
              102,
              126,
              200,
              21,
              164,
              82,
              93,
              9,
              225,
              95,
              7,
              143,
              90,
              178,
              138,
              169,
              36,
              67,
              71,
              152,
              30,
              44,
              96,
              107,
              81,
              237,
              98,
              135,
              47,
              29,
              57,
              34,
              162,
              43,
              18,
              39
            }
          }
        }
      }
    },
    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 {
          "61",
          "1 1.45",
          "10 0.4",
          "11 0.66",
          "13 0.36",
          "14 -0.14",
          "15 0.2",
          "16 0.57",
          "17 0.57",
          "18 -0.15",
          "19 0.36",
          "2 -0.57",
          "20 -0.15",
          "21 -0.3",
          "22 -0.15",
          "24 -0.15",
          "25 -0.15",
          "26 -0.01",
          "27 -0.15",
          "28 0.44",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.29",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.28",
          "39 -0.15",
          "4 -0.65",
          "40 0.14",
          "41 0.14",
          "42 0.14",
          "43 -0.29",
          "44 -0.28",
          "45 0.14",
          "46 0.14",
          "5 -0.65",
          "51 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "6 -0.66",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.69",
          "70 0.15",
          "78 0.15",
          "8 0.05",
          "9 -0.66"
        }
      },
      {
        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 { 88, 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 {
          "15",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 41 hydrophobe",
          "1 5 acceptor",
          "1 8 cation",
          "3 44 45 46 hydrophobe",
          "4 38 40 42 43 hydrophobe",
          "5 6 10 11 12 13 rings",
          "5 7 10 11 14 15 rings",
          "5 8 20 21 23 24 rings",
          "6 14 15 18 22 25 27 rings",
          "6 20 23 29 30 31 35 rings",
          "6 26 32 33 36 37 39 rings",
          "6 6 9 13 16 17 19 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}