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              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
            value ivec {
              1,
              2,
              5,
              4,
              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 {
          "50",
          "1 -0.56",
          "10 -0.54",
          "11 -0.81",
          "12 -0.8",
          "13 0.28",
          "16 0.28",
          "17 0.14",
          "18 0.14",
          "2 -0.68",
          "20 -0.12",
          "21 -0.29",
          "23 -0.28",
          "24 0.11",
          "25 0.42",
          "26 0.54",
          "27 0.28",
          "28 0.42",
          "29 0.14",
          "3 -0.43",
          "30 0.12",
          "31 0.54",
          "32 -0.14",
          "33 0.37",
          "34 -0.29",
          "35 0.27",
          "36 -0.15",
          "37 0.62",
          "38 0.78",
          "39 -0.12",
          "4 -0.56",
          "40 0.28",
          "41 -0.15",
          "42 0.27",
          "43 0.27",
          "44 0.14",
          "5 -0.57",
          "56 0.15",
          "6 -0.57",
          "60 0.4",
          "69 0.4",
          "7 -0.57",
          "70 0.15",
          "73 0.15",
          "74 0.37",
          "77 0.15",
          "8 -0.57",
          "81 0.15",
          "9 -0.87",
          "91 0.37",
          "92 0.37"
        }
      },
      {
        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 { 98, 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 10 donor",
          "1 11 cation",
          "1 12 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 cation",
          "1 9 donor",
          "6 20 24 26 30 31 32 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 6,
      atom-chiral-def 6,
      atom-chiral-undef 0,
      bond-chiral 3,
      bond-chiral-def 3,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 118
    }
  }
}