PC-Compounds ::= {
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              3,
              160,
              179,
              8,
              28,
              187,
              51,
              48,
              170,
              184,
              219,
              61,
              13,
              202,
              32,
              142,
              22,
              141,
              176,
              36,
              177,
              70,
              15,
              68,
              137,
              20,
              49,
              230,
              101,
              96,
              181,
              64,
              133,
              29,
              83,
              171,
              69,
              92,
              30,
              165,
              157,
              7,
              45,
              52,
              237,
              185,
              251,
              86,
              56,
              35,
              240,
              148,
              111,
              109,
              73,
              16,
              60,
              120,
              65,
              100,
              18,
              236,
              67,
              46,
              87,
              12
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "49",
          "1 -0.43",
          "12 0.06",
          "13 -0.03",
          "15 0.57",
          "17 0.66",
          "18 -0.29",
          "19 0.14",
          "2 -0.57",
          "20 0.06",
          "21 0.3",
          "22 0.14",
          "23 0.57",
          "24 -0.14",
          "25 0.28",
          "26 0.44",
          "27 -0.15",
          "28 -0.15",
          "29 -0.14",
          "3 -0.57",
          "30 0.08",
          "31 -0.15",
          "32 0.08",
          "34 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "39 -0.15",
          "4 -0.57",
          "40 0.28",
          "41 -0.15",
          "42 -0.15",
          "43 0.28",
          "5 -0.36",
          "53 0.15",
          "6 -0.36",
          "62 0.37",
          "68 0.15",
          "69 0.15",
          "7 -0.47",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "79 0.15",
          "8 -0.73",
          "80 0.15",
          "9 0.2"
        }
      },
      {
        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 { 134, 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 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 donor",
          "6 24 27 28 30 31 32 rings",
          "6 29 33 34 35 36 38 rings",
          "6 33 35 37 39 41 42 rings",
          "6 7 9 10 12 13 15 rings",
          "7 9 11 13 14 16 18 19 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}