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              41,
              136,
              174,
              124,
              30,
              169,
              108,
              110,
              13,
              172,
              114,
              52,
              64,
              83,
              94,
              71,
              97,
              102,
              175,
              155,
              38,
              78,
              15,
              98,
              27,
              122,
              93,
              61,
              148,
              121,
              59,
              135,
              128,
              159,
              2,
              133,
              75,
              130,
              3,
              152,
              129,
              150,
              119,
              171,
              60,
              66,
              9,
              7,
              48,
              50,
              111,
              125,
              53,
              16,
              35,
              92,
              95,
              141,
              40,
              84,
              63,
              113,
              134,
              1,
              107,
              39,
              105,
              153,
              20,
              28,
              138,
              74,
              14,
              89,
              29,
              164,
              22,
              56,
              12,
              90,
              8,
              34,
              88
            }
          }
        }
      }
    },
    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 {
          "56",
          "1 -0.18",
          "10 -0.48",
          "11 -0.99",
          "13 0.3",
          "14 0.34",
          "15 0.12",
          "16 0.57",
          "17 0.28",
          "18 0.57",
          "19 -0.14",
          "2 -0.56",
          "22 0.06",
          "23 -0.14",
          "24 -0.15",
          "25 -0.15",
          "26 0.45",
          "27 0.47",
          "28 -0.15",
          "29 0.18",
          "3 -0.68",
          "30 0.08",
          "31 -0.15",
          "32 -0.14",
          "33 0.08",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.14",
          "39 0.14",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 0.28",
          "43 0.06",
          "44 0.28",
          "45 0.66",
          "46 0.28",
          "5 -0.36",
          "6 -0.57",
          "62 0.15",
          "63 0.15",
          "65 0.15",
          "66 0.4",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.36",
          "70 0.36",
          "71 0.36",
          "72 0.15",
          "73 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.43",
          "9 -0.57"
        }
      },
      {
        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 { 158, 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 11 cation",
          "1 11 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 9 acceptor",
          "3 12 20 21 hydrophobe",
          "6 15 19 24 25 28 29 rings",
          "6 23 30 31 33 34 35 rings",
          "6 32 36 37 38 40 41 rings",
          "7 2 10 14 15 16 18 19 rings"
        }
      }
    },
    count {
      heavy-atom 47,
      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 8
    }
  }
}