PC-Compounds ::= {
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              409,
              311,
              73,
              11,
              227,
              116,
              23,
              15,
              464,
              19,
              74,
              399,
              97,
              308,
              412,
              60,
              134,
              234,
              333,
              374,
              367,
              187,
              161,
              466,
              101,
              247,
              426,
              273,
              122,
              386,
              109,
              18,
              216,
              9,
              79,
              315,
              261,
              274,
              232,
              53,
              126,
              133,
              279,
              301,
              140,
              16,
              207,
              287,
              195,
              131,
              454,
              198,
              4,
              239,
              76,
              111,
              294,
              37,
              52,
              204,
              183,
              113,
              457,
              179,
              397,
              64,
              181,
              360,
              132,
              310,
              35,
              143,
              68,
              473,
              452,
              127,
              114,
              285,
              185,
              365,
              56,
              87,
              178,
              362,
              107,
              66,
              451,
              407,
              34
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "46",
          "1 1.32",
          "10 0.27",
          "13 0.27",
          "14 0.3",
          "15 0.27",
          "17 0.54",
          "18 0.09",
          "19 0.12",
          "2 -0.19",
          "20 -0.01",
          "21 -0.15",
          "22 -0.01",
          "23 -0.15",
          "24 -0.15",
          "25 0.09",
          "26 0.44",
          "27 0.54",
          "28 -0.15",
          "29 -0.14",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 0.19",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "4 -0.65",
          "49 0.37",
          "5 -0.65",
          "53 0.15",
          "54 0.15",
          "55 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.57",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "7 -0.81",
          "8 -0.73",
          "9 -0.48"
        }
      },
      {
        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 { 82, 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 {
          "11",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 cation",
          "1 8 donor",
          "5 7 10 11 12 13 rings",
          "6 18 19 20 21 23 24 rings",
          "6 22 25 28 30 31 32 rings",
          "6 29 33 34 35 36 37 rings",
          "7 1 9 19 20 22 25 27 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      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
    }
  }
}