PC-Compounds ::= {
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              223,
              85,
              11,
              68,
              220,
              281,
              322,
              251,
              49,
              93,
              231,
              221,
              19,
              242,
              338,
              95,
              178,
              70,
              201,
              175,
              20,
              90,
              283,
              246,
              35,
              123,
              348,
              312,
              314,
              60,
              189,
              50,
              342,
              26,
              111,
              127,
              43,
              52,
              29,
              177,
              94,
              7,
              6,
              104,
              199,
              169,
              261,
              278,
              23,
              126,
              197,
              216,
              106,
              349,
              271,
              156,
              170,
              110,
              142,
              67,
              291,
              301,
              42,
              8,
              120,
              4,
              302,
              137,
              377,
              166,
              247,
              3,
              121,
              54,
              5,
              118,
              31,
              2,
              267,
              57,
              328,
              132,
              144,
              13,
              82
            }
          }
        }
      }
    },
    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 -0.57",
          "14 0.5",
          "15 0.57",
          "16 0.3",
          "17 -0.14",
          "18 0.18",
          "19 0.57",
          "2 -0.57",
          "20 -0.18",
          "21 0.24",
          "22 -0.15",
          "23 -0.18",
          "25 0.16",
          "26 -0.3",
          "27 -0.15",
          "29 -0.3",
          "3 -0.73",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 0.16",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.66",
          "40 -0.15",
          "5 0.03",
          "52 0.37",
          "6 0.03",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.27",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.27",
          "68 0.15",
          "69 0.15",
          "7 -0.62",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "8 0.3"
        }
      },
      {
        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 { 122, 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 2 acceptor",
          "1 3 donor",
          "1 5 cation",
          "1 5 donor",
          "1 6 cation",
          "1 6 donor",
          "1 7 acceptor",
          "5 5 20 24 26 27 rings",
          "5 6 23 28 29 30 rings",
          "6 24 27 32 33 36 38 rings",
          "6 28 30 34 37 39 40 rings",
          "6 7 17 22 25 31 35 rings",
          "6 8 9 10 11 12 13 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      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
    }
  }
}