PC-Compounds ::= {
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              183,
              209,
              39,
              97,
              91,
              5,
              98,
              53,
              174,
              132,
              200,
              41,
              10,
              113,
              57,
              176,
              99,
              55,
              3,
              190,
              136,
              72,
              156,
              144,
              106,
              112,
              130,
              89,
              20,
              180,
              188,
              140,
              38,
              210,
              75,
              169,
              129,
              17,
              198,
              25,
              96,
              90,
              50,
              135,
              61,
              32,
              2,
              8,
              40,
              16,
              149,
              77,
              42,
              124,
              1,
              6,
              103,
              63,
              101,
              191,
              202,
              119,
              45,
              87,
              102,
              111,
              62,
              153,
              51,
              27,
              215,
              9,
              134,
              189,
              92,
              21,
              88,
              70,
              49,
              59,
              217,
              142
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "56",
          "1 1.33",
          "10 0.03",
          "11 0.14",
          "12 0.36",
          "15 -0.14",
          "16 0.3",
          "17 0.3",
          "18 0.2",
          "19 -0.15",
          "2 -0.65",
          "20 -0.15",
          "21 0.69",
          "22 -0.15",
          "23 -0.15",
          "24 0.11",
          "25 0.36",
          "26 0.18",
          "27 0.57",
          "28 -0.18",
          "29 0.44",
          "3 -0.65",
          "31 -0.3",
          "32 -0.15",
          "33 0.3",
          "34 -0.14",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.15",
          "5 -0.57",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "6 -0.69",
          "62 0.37",
          "67 0.15",
          "7 -0.66",
          "71 0.27",
          "75 0.15",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "79 0.15",
          "8 -0.73",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "9 -0.66"
        }
      },
      {
        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 {
          "13",
          "1 10 cation",
          "1 10 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 8 donor",
          "5 10 28 30 31 32 rings",
          "5 6 11 12 15 18 rings",
          "6 15 18 19 20 22 23 rings",
          "6 30 32 36 37 38 41 rings",
          "6 34 39 40 42 43 44 rings",
          "6 7 11 13 14 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}