PC-Compounds ::= {
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              59,
              150,
              108,
              83,
              339,
              300,
              367,
              237,
              319,
              116,
              246,
              321,
              184,
              324,
              376,
              239,
              379,
              381,
              165,
              272,
              9,
              244,
              180,
              161,
              302,
              106,
              247,
              314,
              155,
              232,
              30,
              284,
              141,
              350,
              23,
              35,
              394,
              167,
              348,
              57,
              8,
              338,
              195,
              10,
              301,
              223,
              81,
              14,
              88,
              160,
              220,
              399,
              163,
              278,
              4,
              276,
              226,
              37,
              397,
              117,
              181,
              198,
              44,
              283,
              11,
              373,
              298,
              105,
              2,
              1
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "58",
          "1 1.45",
          "10 -0.66",
          "11 -0.91",
          "12 -0.55",
          "13 0.03",
          "14 0.3",
          "15 0.3",
          "16 0.3",
          "17 0.3",
          "18 0.42",
          "19 0.57",
          "2 -0.34",
          "21 0.18",
          "22 0.69",
          "23 -0.18",
          "25 -0.3",
          "26 -0.15",
          "27 -0.01",
          "28 -0.15",
          "29 -0.15",
          "3 -0.34",
          "30 0.12",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.14",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.34",
          "40 1.16",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "5 -0.57",
          "57 0.42",
          "58 0.15",
          "59 0.37",
          "6 -0.57",
          "60 0.27",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.65",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "8 -0.65",
          "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 { 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 {
          "13",
          "1 11 donor",
          "1 12 donor",
          "1 13 cation",
          "1 13 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "5 13 23 24 25 26 rings",
          "6 24 26 28 29 32 34 rings",
          "6 27 31 33 35 38 39 rings",
          "6 30 36 37 41 42 43 rings",
          "6 9 10 14 15 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      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
    }
  }
}