PC-Compounds ::= {
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              301,
              66,
              197,
              472,
              319,
              27,
              436,
              374,
              50,
              324,
              366,
              293,
              276,
              17,
              12,
              184,
              485,
              435,
              415,
              81,
              76,
              474,
              307,
              177,
              354,
              28,
              107,
              261,
              212,
              302,
              286,
              181,
              287,
              353,
              63,
              18,
              244,
              53,
              367,
              135,
              125,
              84,
              411,
              102,
              488,
              288,
              417,
              42,
              313,
              339,
              228,
              259,
              166,
              402,
              171,
              219,
              333,
              36,
              170,
              119,
              108,
              268,
              51,
              137,
              239,
              182,
              218,
              356,
              310,
              186,
              79,
              316,
              341,
              233,
              209,
              467,
              72,
              403,
              236,
              106,
              405,
              331,
              6,
              116,
              391,
              113,
              422,
              217,
              35,
              8,
              91,
              387,
              156,
              279,
              311,
              117,
              255,
              133,
              322,
              59,
              289,
              194,
              172,
              392,
              428,
              118,
              56,
              330,
              225,
              32,
              114,
              70,
              358,
              144,
              250,
              52,
              130,
              134,
              105,
              49,
              179,
              439,
              37,
              490,
              85,
              29,
              263,
              434,
              38,
              280,
              210,
              248,
              120,
              158,
              62,
              193,
              190,
              442,
              396,
              13,
              183,
              9,
              11,
              160,
              471,
              394,
              406,
              349,
              138,
              124,
              448,
              408,
              450,
              429,
              129,
              232,
              191,
              291,
              463,
              103,
              90,
              199,
              264,
              121,
              284,
              475,
              407,
              83,
              64,
              292,
              54,
              69,
              141,
              399,
              65,
              136,
              31,
              98,
              86,
              40,
              75,
              397,
              238,
              19,
              39,
              223,
              77,
              143,
              338,
              337,
              240,
              443,
              484,
              376,
              127,
              423,
              10,
              453,
              426,
              96,
              395,
              272,
              430,
              24,
              412,
              230,
              482,
              168,
              88,
              246,
              481,
              409,
              195,
              220,
              132,
              198,
              377,
              185,
              372,
              176,
              452,
              153,
              22,
              252,
              254,
              147,
              173,
              200,
              152,
              462,
              328,
              30,
              308,
              476,
              23,
              25,
              16,
              295,
              169,
              446,
              234,
              159,
              213,
              421,
              71,
              306,
              451,
              420,
              151,
              60,
              180,
              329,
              457,
              365,
              167
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "57",
          "1 -0.56",
          "10 -0.68",
          "11 -0.16",
          "12 -0.57",
          "13 -0.53",
          "14 -0.53",
          "15 -0.53",
          "16 -0.53",
          "17 0.28",
          "18 0.28",
          "19 0.28",
          "2 -0.56",
          "20 0.28",
          "21 0.28",
          "22 0.56",
          "23 0.28",
          "24 0.28",
          "25 0.56",
          "26 0.28",
          "27 0.28",
          "29 0.09",
          "3 -0.56",
          "30 0.05",
          "31 0.47",
          "32 0.09",
          "33 0.03",
          "34 0.08",
          "35 0.08",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.68",
          "40 0.08",
          "41 0.08",
          "42 -0.15",
          "43 0.08",
          "5 -0.68",
          "59 0.4",
          "6 -0.36",
          "60 0.4",
          "61 0.4",
          "62 0.4",
          "63 0.4",
          "64 0.4",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.68",
          "70 0.45",
          "71 0.45",
          "72 0.45",
          "73 0.45",
          "8 -0.68",
          "9 -0.68"
        }
      },
      {
        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 { 84, 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 {
          "27",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 10 donor",
          "1 11 acceptor",
          "1 12 acceptor",
          "1 13 donor",
          "1 14 donor",
          "1 15 donor",
          "1 16 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "1 9 donor",
          "6 1 17 18 19 20 25 rings",
          "6 11 29 30 31 32 34 rings",
          "6 3 21 22 23 24 27 rings",
          "6 32 34 35 36 39 40 rings",
          "6 33 37 38 41 42 43 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 10,
      atom-chiral-def 10,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 162
    }
  }
}