PC-Compounds ::= {
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              84,
              411,
              171,
              41,
              114,
              55,
              315,
              62,
              362,
              212,
              33,
              266,
              87,
              21,
              73,
              379,
              295,
              393,
              388,
              161,
              250,
              54,
              206,
              326,
              374,
              419,
              198,
              153,
              127,
              372,
              408,
              313,
              46,
              158,
              150,
              147,
              85,
              371,
              216,
              188,
              421,
              360,
              43,
              174,
              145,
              416,
              190,
              260,
              278,
              4,
              82,
              432,
              237,
              425,
              144,
              120,
              370,
              318,
              325,
              203,
              113,
              312,
              274,
              154
            }
          }
        }
      }
    },
    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 -0.36",
          "10 -0.53",
          "11 0.28",
          "12 0.42",
          "13 0.14",
          "14 -0.14",
          "15 0.08",
          "16 -0.14",
          "17 0.08",
          "18 0.28",
          "19 0.06",
          "2 -0.43",
          "20 -0.15",
          "21 0.66",
          "23 -0.15",
          "24 -0.15",
          "25 -0.15",
          "26 0.08",
          "27 0.14",
          "28 0.08",
          "29 -0.15",
          "3 -0.53",
          "30 0.08",
          "31 -0.14",
          "32 -0.15",
          "33 -0.15",
          "34 0.08",
          "35 -0.15",
          "36 0.08",
          "4 -0.68",
          "44 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.57",
          "52 0.15",
          "53 0.45",
          "54 0.4",
          "55 0.15",
          "56 0.15",
          "57 0.45",
          "58 0.45",
          "59 0.15",
          "6 -0.53",
          "60 0.45",
          "61 0.45",
          "62 0.45",
          "7 -0.53",
          "8 -0.53",
          "9 -0.53"
        }
      },
      {
        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 { 88, 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 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 6 donor",
          "1 7 donor",
          "1 8 donor",
          "1 9 donor",
          "6 1 11 12 13 14 15 rings",
          "6 14 15 17 20 25 26 rings",
          "6 16 23 24 28 29 30 rings",
          "6 31 32 33 34 35 36 rings"
        }
      }
    },
    count {
      heavy-atom 36,
      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 994
    }
  }
}