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              129,
              42,
              47,
              91,
              82,
              335,
              319,
              167,
              124,
              14,
              92,
              203,
              62,
              100,
              6,
              101,
              90,
              85,
              395,
              67,
              355,
              107,
              68,
              189,
              272,
              74,
              104,
              69,
              121,
              113,
              5,
              41,
              264,
              2,
              268,
              371,
              10,
              112,
              361,
              19,
              271,
              25,
              89,
              130,
              311,
              145
            }
          }
        }
      }
    },
    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 {
          "48",
          "1 -0.57",
          "12 0.27",
          "13 0.27",
          "14 0.45",
          "16 0.01",
          "17 0.12",
          "18 0.69",
          "19 0.14",
          "2 -0.81",
          "20 0.12",
          "21 -0.15",
          "22 -0.14",
          "23 -0.15",
          "24 0.4",
          "25 -0.15",
          "26 -0.15",
          "27 -0.15",
          "28 -0.15",
          "29 -0.14",
          "3 -0.48",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "4 -0.55",
          "5 0.31",
          "52 0.37",
          "53 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.34",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "7 -0.42",
          "9 0.3"
        }
      },
      {
        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 { 92, 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 {
          "10",
          "1 1 acceptor",
          "1 2 cation",
          "1 4 donor",
          "3 5 6 16 cation",
          "5 3 4 17 18 20 rings",
          "5 5 6 7 8 16 rings",
          "6 17 20 21 23 25 26 rings",
          "6 2 9 10 11 12 13 rings",
          "6 22 27 28 30 31 34 rings",
          "6 29 32 33 35 36 37 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}