PC-Compounds ::= {
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              133,
              17,
              404,
              33,
              375,
              10,
              313,
              158,
              30,
              29,
              336,
              58,
              257,
              22,
              455,
              165,
              361,
              76,
              45,
              408,
              173,
              57,
              308,
              142,
              32,
              68
            }
          }
        }
      }
    },
    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 -0.56",
          "10 -0.68",
          "11 -0.36",
          "12 -0.53",
          "13 -0.57",
          "14 -0.53",
          "15 0.28",
          "16 0.28",
          "17 0.28",
          "18 0.28",
          "19 0.28",
          "2 -0.56",
          "20 0.56",
          "21 0.28",
          "22 0.28",
          "23 0.56",
          "24 0.28",
          "25 0.28",
          "27 0.08",
          "28 -0.15",
          "29 0.08",
          "3 -0.56",
          "30 -0.15",
          "31 0.09",
          "32 0.42",
          "33 0.06",
          "34 0.08",
          "35 0.42",
          "36 -0.14",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.68",
          "40 -0.15",
          "41 0.08",
          "5 -0.36",
          "57 0.4",
          "58 0.4",
          "59 0.4",
          "6 -0.68",
          "60 0.4",
          "61 0.4",
          "62 0.4",
          "63 0.15",
          "64 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.68",
          "70 0.45",
          "71 0.15",
          "72 0.15",
          "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 { 9, 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 {
          "25",
          "1 1 acceptor",
          "1 10 acceptor",
          "1 10 donor",
          "1 11 acceptor",
          "1 12 donor",
          "1 13 acceptor",
          "1 14 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "1 9 donor",
          "6 1 15 16 17 18 23 rings",
          "6 11 29 31 32 33 35 rings",
          "6 27 28 29 30 31 34 rings",
          "6 3 19 20 21 22 25 rings",
          "6 36 37 38 39 40 41 rings"
        }
      }
    },
    count {
      heavy-atom 41,
      atom-chiral 11,
      atom-chiral-def 11,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 18
    }
  }
}