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            188,
            230,
            27,
            109,
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            94,
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            397,
            301,
            148,
            74,
            64,
            361,
            192,
            368,
            126,
            303,
            24,
            353,
            235,
            113,
            225,
            307,
            115,
            171,
            420,
            82,
            280,
            134,
            25,
            114,
            146,
            343,
            79,
            359,
            365,
            160,
            73,
            197,
            290,
            89,
            165,
            248,
            350,
            243,
            13,
            81,
            276,
            329,
            262,
            249,
            284,
            54,
            268,
            78,
            311,
            224,
            364,
            63,
            325,
            396,
            270,
            241,
            57,
            306,
            202,
            98,
            116,
            143,
            12,
            228,
            205,
            395,
            33,
            41,
            327,
            267,
            62,
            125,
            80,
            133,
            336,
            181,
            43,
            170,
            36,
            211,
            204,
            236,
            70,
            347,
            6,
            11,
            341,
            65,
            380,
            124,
            200,
            4,
            119,
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            1,
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            50,
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            52,
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            40,
            253,
            35,
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            400,
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            30,
            122,
            258,
            166,
            3,
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            295,
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            117,
            45,
            255,
            426,
            377,
            42,
            313
          }
        }
      }
    }
  },
  props {
    {
      urn {
        label "Charge",
        name "MMFF94 Partial",
        datatype stringlist,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "54",
        "1 1.45",
        "10 -0.75",
        "11 -0.66",
        "12 0.21",
        "13 -0.04",
        "14 0.62",
        "15 0.12",
        "16 -0.01",
        "17 0.14",
        "18 0.37",
        "19 0.09",
        "2 -0.43",
        "20 -0.15",
        "21 0.34",
        "22 0.44",
        "23 -0.14",
        "24 0.57",
        "25 -0.15",
        "26 0.3",
        "27 -0.15",
        "28 -0.15",
        "29 -0.15",
        "3 -0.57",
        "30 -0.14",
        "31 0.63",
        "33 0.14",
        "35 -0.15",
        "36 -0.15",
        "37 -0.15",
        "38 -0.15",
        "39 -0.15",
        "4 -0.65",
        "40 -0.15",
        "41 -0.15",
        "42 -0.15",
        "43 0.42",
        "5 -0.65",
        "51 0.15",
        "54 0.15",
        "57 0.15",
        "58 0.15",
        "59 0.15",
        "6 -0.57",
        "69 0.15",
        "7 -0.57",
        "70 0.15",
        "71 0.15",
        "72 0.15",
        "73 0.15",
        "74 0.15",
        "75 0.15",
        "76 0.15",
        "8 -0.49",
        "9 -0.16"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.7.6",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.01.18"
      },
      value fval { 12, 10, 0 }
    },
    {
      urn {
        label "Features",
        name "Pharmacophore",
        datatype stringlist,
        parameters "ImplicitMillsDean merged",
        version "1.8.1",
        software "OEShape",
        source "openeye.com",
        release "2012.02.08"
      },
      value slist {
        "10",
        "1 10 donor",
        "1 3 acceptor",
        "1 4 acceptor",
        "1 5 acceptor",
        "1 6 acceptor",
        "1 7 acceptor",
        "5 8 9 12 13 14 rings",
        "6 15 27 28 35 36 37 rings",
        "6 16 19 20 23 25 29 rings",
        "6 30 38 39 40 41 42 rings"
      }
    }
  },
  count {
    heavy-atom 42,
    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 1
  }
}