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              351,
              295,
              159,
              257,
              184,
              102,
              41,
              51,
              150,
              38,
              319,
              29,
              321,
              279,
              317,
              261,
              223,
              227,
              158,
              138,
              130,
              175,
              80,
              67,
              200,
              134,
              65,
              342,
              152,
              180,
              285,
              192,
              183,
              329,
              268,
              343,
              312,
              23,
              143,
              6,
              165,
              247,
              301,
              282,
              176,
              63,
              208,
              77,
              144,
              154,
              5,
              256,
              181,
              322,
              118,
              289,
              368,
              352,
              373,
              178,
              277,
              35,
              109,
              127,
              267,
              250,
              59,
              327,
              310,
              125,
              284,
              68,
              280,
              374,
              81,
              359,
              24,
              140,
              71,
              166,
              145,
              54,
              55,
              156,
              171,
              236,
              12,
              210,
              97,
              155,
              187,
              369,
              76,
              9,
              263,
              84,
              219,
              87,
              215,
              357,
              199,
              19,
              91,
              324,
              60,
              107,
              297,
              365,
              203,
              316,
              275,
              110,
              123,
              32,
              205,
              337,
              370,
              201,
              45,
              341,
              72,
              141,
              255,
              69,
              20,
              18,
              126,
              372,
              13,
              238,
              16,
              363,
              136,
              106,
              121,
              132,
              172,
              99
            }
          }
        }
      }
    },
    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 {
          "45",
          "1 -0.57",
          "10 0.44",
          "12 -0.14",
          "14 -0.14",
          "15 0.41",
          "16 0.57",
          "17 -0.15",
          "2 -0.36",
          "20 0.06",
          "21 -0.15",
          "22 0.14",
          "23 -0.15",
          "24 -0.15",
          "25 -0.14",
          "26 -0.15",
          "27 0.08",
          "28 -0.14",
          "29 0.29",
          "3 -0.36",
          "30 0.08",
          "31 -0.15",
          "32 -0.14",
          "33 0.17",
          "34 0.14",
          "35 0.41",
          "37 0.28",
          "38 0.72",
          "4 -0.35",
          "40 0.28",
          "47 0.36",
          "48 0.15",
          "5 -0.64",
          "57 0.15",
          "6 -0.62",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "65 0.15",
          "7 -0.62",
          "79 0.4",
          "8 -0.9",
          "80 0.4",
          "81 0.4",
          "82 0.4",
          "9 -0.9"
        }
      },
      {
        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 {
          "13",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 39 hydrophobe",
          "1 5 donor",
          "1 8 donor",
          "1 9 donor",
          "3 13 18 19 hydrophobe",
          "4 6 7 9 38 cation",
          "6 12 14 17 21 23 24 rings",
          "6 25 26 27 28 30 31 rings",
          "6 4 5 10 12 14 15 rings",
          "6 6 7 32 33 35 38 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 17
    }
  }
}