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          "31 -0.15",
          "32 -0.15",
          "33 0.09",
          "34 -0.15",
          "35 0.11",
          "36 0.63",
          "37 -0.15",
          "38 0.14",
          "39 0.04",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 0.16",
          "5 -0.43",
          "53 0.37",
          "6 -0.57",
          "69 0.15",
          "7 -0.02",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "8 -0.81",
          "9 -0.73"
        }
      },
      {
        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 { 132, 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 {
          "14",
          "1 10 cation",
          "1 11 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 8 cation",
          "1 9 donor",
          "3 17 18 19 hydrophobe",
          "5 10 22 25 28 29 rings",
          "5 2 39 40 41 42 rings",
          "5 3 21 23 24 26 rings",
          "5 7 11 35 37 38 rings",
          "6 25 29 31 32 33 34 rings",
          "6 8 12 13 14 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      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
    }
  }
}