PC-Compounds ::= {
  {
    id {
      id cid 15922818
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        lbottom 59,
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              183,
              85,
              76,
              112,
              19,
              169,
              46,
              121,
              191
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "64",
          "1 -0.56",
          "10 -0.53",
          "11 -0.53",
          "12 -0.53",
          "13 -0.53",
          "14 -0.53",
          "15 0.28",
          "16 0.28",
          "17 0.28",
          "18 0.28",
          "19 0.56",
          "2 -0.36",
          "20 0.28",
          "21 0.09",
          "22 0.85",
          "23 -0.18",
          "24 0.03",
          "25 0.71",
          "26 0.92",
          "27 0.09",
          "28 0.08",
          "29 -0.15",
          "3 -0.68",
          "30 -0.15",
          "31 -0.15",
          "32 -0.14",
          "33 -0.15",
          "34 0.08",
          "35 0.08",
          "36 0.08",
          "37 0.08",
          "38 -0.18",
          "39 0.03",
          "4 -0.68",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 0.08",
          "5 -0.68",
          "52 0.4",
          "53 0.4",
          "54 0.4",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.43",
          "60 0.15",
          "61 0.15",
          "62 0.45",
          "63 0.45",
          "64 0.45",
          "65 0.45",
          "66 0.45",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.87",
          "70 0.15",
          "71 0.45",
          "8 -0.57",
          "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 { 92, 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 {
          "20",
          "1 1 acceptor",
          "1 10 donor",
          "1 11 donor",
          "1 12 donor",
          "1 13 donor",
          "1 14 donor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor",
          "1 8 acceptor",
          "1 9 donor",
          "6 1 15 16 17 18 19 rings",
          "6 24 26 28 29 33 34 rings",
          "6 27 30 31 35 36 37 rings",
          "6 39 40 41 42 43 44 rings",
          "6 7 21 22 23 24 26 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 366
    }
  }
}