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              name "ID List",
              datatype uintvec,
              release "2012.11.26"
            },
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        }
      }
    },
    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 {
          "51",
          "1 -0.57",
          "10 0.03",
          "11 0.33",
          "14 0.3",
          "15 0.3",
          "16 0.3",
          "17 0.57",
          "2 -0.43",
          "20 0.33",
          "24 0.18",
          "25 0.78",
          "26 0.57",
          "27 -0.18",
          "29 0.28",
          "3 -0.57",
          "30 -0.3",
          "31 -0.15",
          "32 0.3",
          "33 -0.15",
          "37 0.18",
          "38 -0.15",
          "39 -0.18",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "43 -0.3",
          "44 -0.15",
          "45 -0.15",
          "46 -0.15",
          "47 -0.15",
          "48 -0.15",
          "5 -0.9",
          "58 0.36",
          "6 -0.66",
          "63 0.37",
          "7 -0.73",
          "73 0.37",
          "74 0.15",
          "77 0.27",
          "78 0.15",
          "8 -0.73",
          "9 0.03",
          "90 0.15",
          "91 0.15",
          "92 0.15",
          "93 0.15",
          "94 0.27",
          "95 0.15",
          "96 0.15",
          "97 0.15",
          "98 0.15"
        }
      },
      {
        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 { 174, 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 {
          "18",
          "1 1 acceptor",
          "1 10 cation",
          "1 10 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 cation",
          "1 5 donor",
          "1 7 donor",
          "1 8 donor",
          "1 9 cation",
          "1 9 donor",
          "4 29 34 35 36 hydrophobe",
          "5 10 39 42 43 44 rings",
          "5 9 27 28 30 31 rings",
          "6 16 18 19 21 22 23 rings",
          "6 28 31 33 38 40 41 rings",
          "6 42 44 45 46 47 48 rings",
          "6 6 11 12 13 14 15 rings"
        }
      }
    },
    count {
      heavy-atom 48,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}