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              release "2010.05.05"
            },
            value ivec {
              1
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "9",
          "1 -0.68",
          "10 0.14",
          "14 0.14",
          "18 -0.29",
          "19 0.28",
          "5 0.14",
          "50 0.15",
          "8 -0.28",
          "81 0.4"
        }
      },
      {
        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 { 26, 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 {
          "9",
          "1 1 acceptor",
          "1 1 donor",
          "3 11 27 28 hydrophobe",
          "3 25 30 31 hydrophobe",
          "6 10 12 23 24 25 26 rings",
          "6 2 3 4 6 7 9 rings",
          "6 2 3 5 8 14 18 rings",
          "6 4 6 11 15 19 22 rings",
          "6 5 8 10 12 13 16 rings"
        }
      }
    },
    count {
      heavy-atom 31,
      atom-chiral 8,
      atom-chiral-def 8,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}