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              name "ID List",
              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
              1,
              6,
              8,
              4,
              7,
              5,
              2,
              3
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "17",
          "1 -0.68",
          "11 0.28",
          "12 -0.28",
          "14 0.14",
          "15 0.14",
          "18 0.06",
          "2 -0.68",
          "21 0.28",
          "23 -0.29",
          "3 -0.65",
          "32 0.66",
          "4 -0.57",
          "56 0.15",
          "74 0.4",
          "75 0.4",
          "8 0.14",
          "82 0.5"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 36, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "14",
          "1 1 acceptor",
          "1 1 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "3 13 29 30 hydrophobe",
          "3 28 33 34 hydrophobe",
          "3 3 4 32 anion",
          "6 14 18 26 27 28 31 rings",
          "6 5 6 7 9 10 11 rings",
          "6 5 6 8 12 15 23 rings",
          "6 7 9 13 16 21 24 rings",
          "6 8 12 14 17 18 20 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 9,
      atom-chiral-def 7,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}