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              174,
              256,
              214,
              224,
              138,
              117,
              250,
              143,
              211,
              162,
              57,
              229,
              97,
              171,
              239,
              266,
              142,
              187,
              192,
              165,
              31,
              42,
              120,
              81,
              134,
              91,
              178,
              225,
              79,
              128,
              36,
              243,
              60,
              10,
              34,
              202,
              96,
              230,
              92,
              204,
              41,
              43,
              130,
              83,
              7,
              56,
              58,
              238,
              14,
              234,
              22,
              101,
              70,
              104,
              180,
              64,
              269,
              161,
              176,
              33,
              186,
              54,
              80,
              93,
              119,
              9,
              252,
              183,
              30,
              26,
              200,
              150,
              84,
              228,
              6,
              28,
              195,
              112,
              2,
              245,
              18,
              121,
              24,
              236,
              182,
              1,
              168,
              75,
              77,
              137,
              98,
              8,
              5,
              218,
              158,
              85,
              261,
              235,
              179,
              3,
              20
            }
          }
        }
      }
    },
    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 -0.19",
          "10 0.06",
          "11 0.3",
          "13 0.14",
          "14 0.06",
          "15 0.57",
          "16 0.28",
          "17 0.14",
          "18 0.14",
          "19 0.14",
          "2 -0.43",
          "20 0.66",
          "21 -0.29",
          "22 -0.29",
          "23 0.57",
          "24 -0.14",
          "25 -0.14",
          "26 0.44",
          "27 0.3",
          "28 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 -0.14",
          "33 0.28",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 0.19",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "5 -0.57",
          "6 -0.68",
          "60 0.37",
          "63 0.15",
          "64 0.15",
          "69 0.15",
          "7 -0.73",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.66",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "84 0.4",
          "85 0.15",
          "9 0.06"
        }
      },
      {
        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 { 128, 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 {
          "9",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 donor",
          "6 24 28 29 34 35 38 rings",
          "6 25 30 31 36 37 39 rings",
          "6 32 40 41 42 43 44 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      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 6
    }
  }
}