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              101,
              88,
              18,
              163,
              42,
              149,
              112,
              28,
              150,
              73,
              60,
              136,
              99,
              133,
              121,
              49,
              89,
              145,
              17,
              67,
              96,
              153,
              151,
              105,
              134,
              61,
              14,
              117,
              141,
              79,
              64,
              46,
              41,
              142,
              122,
              120,
              53,
              114,
              118,
              58,
              48,
              24,
              93,
              13,
              126,
              125,
              33,
              106,
              8,
              143,
              21,
              91,
              158,
              4,
              128,
              10,
              102,
              155,
              152,
              57,
              15,
              72,
              115,
              119,
              63,
              35,
              32,
              7,
              147,
              82,
              1,
              113,
              70,
              144,
              76,
              85,
              92,
              87,
              34,
              139,
              54,
              5,
              111,
              30,
              84,
              50,
              26,
              2,
              27,
              11
            }
          }
        }
      }
    },
    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 0.37",
          "10 0.41",
          "11 -0.14",
          "12 0.3",
          "13 0.41",
          "14 -0.14",
          "16 0.27",
          "17 0.27",
          "19 0.19",
          "2 -0.5",
          "20 0.31",
          "21 -0.15",
          "22 0.41",
          "23 0.4",
          "24 0.28",
          "25 0.54",
          "3 -0.68",
          "30 -0.14",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 0.07",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.07",
          "42 -0.2",
          "43 0.47",
          "44 0.27",
          "45 0.27",
          "5 -0.6",
          "58 0.15",
          "59 0.37",
          "6 -0.81",
          "7 -0.73",
          "73 0.15",
          "74 0.15",
          "75 0.4",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.62",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "9 -0.81"
        }
      },
      {
        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 { 126, 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 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 6 cation",
          "1 7 donor",
          "1 8 acceptor",
          "1 9 cation",
          "4 19 26 27 28 hydrophobe",
          "5 5 10 11 13 14 rings",
          "5 6 12 15 16 17 rings",
          "6 29 31 32 35 36 39 rings",
          "6 30 33 34 37 38 40 rings",
          "6 8 11 14 20 21 23 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 3,
      atom-chiral-def 2,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}