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          "17 -0.15",
          "18 -0.15",
          "19 -0.15",
          "2 -0.53",
          "20 -0.15",
          "21 -0.15",
          "22 -0.15",
          "23 -0.15",
          "24 -0.15",
          "25 0.08",
          "3 -0.81",
          "44 0.15",
          "45 0.15",
          "46 0.4",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "53 0.15",
          "54 0.45",
          "7 0.27",
          "8 0.27",
          "9 0.27"
        }
      },
      {
        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 { 72, 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 {
          "8",
          "1 1 acceptor",
          "1 1 donor",
          "1 14 hydrophobe",
          "1 2 donor",
          "1 3 cation",
          "6 13 16 17 20 21 22 rings",
          "6 15 18 19 23 24 25 rings",
          "6 3 4 5 6 7 8 rings"
        }
      }
    },
    count {
      heavy-atom 25,
      atom-chiral 2,
      atom-chiral-def 1,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}