PC-Compounds ::= {
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              137,
              250,
              316,
              327,
              117,
              154,
              373,
              24,
              158,
              310,
              201,
              335,
              184,
              45,
              378,
              396,
              58,
              302,
              29,
              315,
              215,
              136,
              402,
              141,
              182,
              253,
              90,
              105,
              300,
              324,
              202,
              385,
              418,
              125,
              228,
              43,
              73,
              236,
              257,
              46,
              399,
              36,
              142,
              185,
              96,
              234,
              65,
              333,
              197,
              221,
              377,
              403,
              178,
              203,
              199,
              218,
              206,
              224,
              164,
              208,
              241,
              14,
              331,
              361,
              57,
              266,
              40,
              151,
              245,
              134,
              130,
              9,
              212,
              235,
              287,
              162,
              18,
              99,
              68,
              171,
              157,
              135,
              356,
              126,
              161,
              97,
              350,
              386,
              59,
              72,
              118,
              22,
              77,
              275,
              61,
              363,
              180,
              78,
              401,
              82,
              155,
              326,
              16,
              205,
              127,
              67,
              60,
              107,
              146,
              367,
              11,
              12,
              282,
              219,
              229,
              410,
              244,
              41,
              390,
              35,
              86,
              256,
              309,
              270,
              123,
              114,
              382,
              283,
              325,
              103,
              194,
              19,
              200,
              358,
              38,
              51,
              39,
              160,
              278,
              10,
              23,
              240
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "54",
          "1 -0.18",
          "10 0.35",
          "11 -0.14",
          "12 0.57",
          "13 0.12",
          "14 -0.14",
          "16 0.44",
          "17 -0.15",
          "18 -0.15",
          "19 -0.15",
          "2 -0.18",
          "20 0.18",
          "21 0.18",
          "22 -0.14",
          "23 -0.15",
          "24 0.09",
          "25 -0.15",
          "26 -0.15",
          "27 0.54",
          "28 0.08",
          "29 -0.15",
          "3 -0.57",
          "30 0.3",
          "31 -0.15",
          "32 -0.15",
          "33 0.3",
          "34 0.08",
          "35 0.14",
          "37 0.17",
          "38 0.28",
          "39 -0.15",
          "4 -0.36",
          "40 0.28",
          "41 -0.15",
          "42 0.16",
          "43 -0.15",
          "49 0.15",
          "5 -0.57",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "53 0.15",
          "54 0.15",
          "55 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.36",
          "7 -0.48",
          "70 0.15",
          "74 0.15",
          "75 0.15",
          "76 0.15",
          "8 -0.66",
          "9 -0.62"
        }
      },
      {
        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 { 114, 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 {
          "10",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 9 acceptor",
          "5 7 10 11 12 13 rings",
          "6 11 13 17 18 21 23 rings",
          "6 14 19 20 24 25 26 rings",
          "6 22 28 29 31 32 34 rings",
          "6 9 37 39 41 42 43 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}