PC-Compounds ::= {
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              224,
              73,
              246,
              78,
              46,
              247,
              212,
              75,
              12,
              88,
              244,
              153,
              232,
              163,
              40,
              65,
              136,
              126,
              128,
              4,
              143,
              19,
              114,
              48,
              117,
              167,
              39,
              221,
              168,
              53,
              92,
              96,
              179,
              121,
              93,
              64,
              141,
              258,
              86,
              49,
              222,
              230,
              238,
              113,
              21,
              51,
              42,
              181,
              123,
              262,
              260,
              8,
              118,
              231,
              160,
              6,
              227,
              214,
              94,
              16,
              140,
              11,
              120,
              201,
              79,
              15,
              144,
              159,
              253,
              58,
              43,
              27,
              104,
              229,
              32,
              199,
              22,
              110,
              147,
              3,
              61,
              261,
              109,
              169,
              66,
              69,
              89,
              251,
              149,
              84,
              157,
              252,
              259,
              234,
              59,
              70,
              248,
              217,
              185,
              235,
              108,
              14,
              57,
              134,
              242,
              54,
              13,
              25,
              254,
              17,
              213,
              125,
              146,
              41,
              67,
              71,
              9,
              255,
              37,
              33,
              166,
              115,
              24,
              237,
              148,
              198,
              184,
              225,
              161,
              34,
              30,
              18
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "58",
          "1 1.45",
          "11 0.28",
          "12 0.3",
          "13 0.27",
          "14 0.3",
          "16 0.54",
          "17 0.08",
          "18 0.09",
          "19 0.28",
          "2 -0.36",
          "21 0.41",
          "22 0.27",
          "23 -0.15",
          "24 -0.15",
          "25 -0.14",
          "26 0.2",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "33 -0.01",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.68",
          "40 -0.15",
          "41 -0.14",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "45 0.14",
          "5 -0.65",
          "6 -0.65",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.4",
          "7 -0.66",
          "70 0.42",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.81",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "9 -0.76"
        }
      },
      {
        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 { 11, 10, 0 }
      },
      {
        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 {
          "12",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 cation",
          "1 9 donor",
          "6 17 18 23 24 26 27 rings",
          "6 25 28 29 30 31 32 rings",
          "6 33 35 36 39 40 41 rings",
          "6 34 37 38 42 43 44 rings"
        }
      }
    },
    count {
      heavy-atom 45,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}