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              203,
              77,
              142,
              198,
              155,
              205,
              48,
              37,
              126,
              221,
              154,
              169,
              173,
              31,
              47,
              13,
              194,
              69,
              140,
              83,
              127,
              32,
              46,
              8,
              104,
              53,
              86,
              16,
              138,
              212,
              39,
              160,
              62,
              20,
              26,
              24,
              150,
              161,
              213,
              38,
              196,
              42,
              29,
              112,
              21,
              87,
              177,
              66,
              94,
              82,
              92,
              1,
              65,
              165,
              157,
              143,
              209,
              11,
              63,
              54,
              30,
              61,
              2,
              4,
              9,
              85,
              19,
              18,
              10,
              79,
              158,
              211,
              3,
              174,
              89,
              191
            }
          }
        }
      }
    },
    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 {
          "60",
          "1 -0.18",
          "10 -0.57",
          "11 -0.57",
          "12 -0.53",
          "13 0.03",
          "14 -0.54",
          "15 0.28",
          "16 0.28",
          "17 0.28",
          "18 0.28",
          "19 0.56",
          "2 -0.56",
          "22 0.28",
          "23 0.81",
          "24 0.08",
          "25 -0.24",
          "26 0.18",
          "27 -0.15",
          "28 0.08",
          "29 -0.15",
          "3 -0.56",
          "30 -0.15",
          "31 0.03",
          "32 -0.33",
          "33 -0.15",
          "34 0.05",
          "35 0.18",
          "36 0.12",
          "37 0.71",
          "38 0.54",
          "39 0.09",
          "4 -0.43",
          "40 -0.15",
          "41 -0.14",
          "42 -0.15",
          "43 0.28",
          "44 0.08",
          "45 -0.15",
          "46 -0.29",
          "47 -0.28",
          "48 0.14",
          "49 0.14",
          "5 -0.36",
          "6 -0.68",
          "60 0.4",
          "64 0.15",
          "65 0.27",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "7 -0.57",
          "72 0.37",
          "73 0.45",
          "74 0.15",
          "75 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.23",
          "80 0.45",
          "9 -0.53"
        }
      },
      {
        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 { 122, 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 {
          "20",
          "1 10 acceptor",
          "1 11 acceptor",
          "1 12 donor",
          "1 13 cation",
          "1 13 donor",
          "1 14 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 9 donor",
          "3 15 20 21 hydrophobe",
          "3 47 48 49 hydrophobe",
          "5 13 25 29 32 33 rings",
          "6 2 15 16 17 18 19 rings",
          "6 24 26 27 28 30 31 rings",
          "6 39 40 41 42 44 45 rings",
          "6 8 28 31 34 36 37 rings"
        }
      }
    },
    count {
      heavy-atom 49,
      atom-chiral 4,
      atom-chiral-def 0,
      atom-chiral-undef 4,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 246
    }
  }
}