PC-Compounds ::= {
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              149,
              29,
              163,
              41,
              86,
              158,
              157,
              142,
              64,
              129,
              191,
              91,
              162,
              48,
              21,
              79,
              194,
              35,
              137,
              72,
              151,
              192,
              55,
              78,
              84,
              80,
              87,
              160,
              51,
              181,
              190,
              30,
              73,
              92,
              59,
              182,
              135,
              24,
              193,
              67,
              89,
              138,
              195,
              127,
              105,
              57,
              197,
              187,
              122,
              50,
              186,
              104,
              167,
              201,
              184,
              88,
              15,
              134,
              139,
              124,
              23,
              8,
              199,
              166,
              58,
              90,
              131,
              47,
              183,
              136,
              126,
              93,
              103,
              176,
              130,
              146,
              32,
              117,
              94,
              132,
              76,
              185,
              200,
              63,
              106,
              75,
              114,
              110,
              16,
              81,
              85,
              53,
              99,
              145,
              25,
              173,
              44,
              161,
              2,
              111,
              196,
              100,
              3,
              148,
              172,
              150,
              62,
              77,
              60,
              143,
              133,
              165,
              26,
              68,
              70,
              17,
              6,
              180,
              116,
              82,
              198,
              179,
              96,
              159,
              36,
              11,
              121,
              42,
              174,
              46,
              20,
              40,
              61,
              39,
              109,
              108,
              98,
              4,
              56,
              97,
              120,
              31,
              95,
              22,
              33,
              170,
              144,
              28,
              54,
              69,
              13,
              7,
              189
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "47",
          "1 -0.08",
          "10 0.36",
          "16 0.27",
          "17 0.27",
          "19 0.27",
          "2 -0.56",
          "22 0.3",
          "25 0.57",
          "26 0.28",
          "27 0.28",
          "28 0.36",
          "29 0.57",
          "3 -0.57",
          "30 0.71",
          "31 0.14",
          "32 -0.05",
          "33 -0.14",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "38 0.04",
          "39 -0.15",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 -0.15",
          "43 -0.15",
          "44 -0.14",
          "45 -0.15",
          "46 0.14",
          "5 -0.57",
          "6 -0.81",
          "7 -0.73",
          "73 0.37",
          "79 0.37",
          "8 -0.73",
          "80 0.37",
          "83 0.15",
          "84 0.15",
          "85 0.15",
          "86 0.15",
          "87 0.15",
          "88 0.15",
          "89 0.15",
          "9 -0.73",
          "90 0.15",
          "91 0.15"
        }
      },
      {
        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 { 174, 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 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "1 7 donor",
          "1 8 donor",
          "1 9 donor",
          "5 1 32 34 37 38 rings",
          "5 10 14 15 20 21 rings",
          "6 2 18 23 24 26 27 rings",
          "6 33 35 36 39 40 43 rings",
          "6 37 38 41 42 44 45 rings",
          "6 6 11 12 13 16 17 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 8
    }
  }
}