PC-Compounds ::= {
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              60,
              256,
              226,
              84,
              198,
              239,
              355,
              58,
              255,
              273,
              219,
              202,
              292,
              371,
              126,
              294,
              172,
              225,
              165,
              295,
              307,
              115,
              361,
              187,
              21,
              160,
              91,
              190,
              201,
              20,
              17,
              101,
              137,
              81,
              163,
              313,
              347,
              221,
              44,
              236,
              127,
              169,
              319,
              68,
              36,
              380,
              283,
              189,
              344,
              143,
              325,
              74,
              196,
              121,
              247,
              305,
              272,
              112,
              149,
              301,
              155,
              191,
              393,
              41,
              205,
              372,
              70,
              334,
              129,
              135,
              310,
              80,
              3,
              284,
              396,
              289,
              282,
              142,
              147,
              242,
              167,
              159,
              229,
              359,
              26,
              375,
              144,
              12,
              39,
              293,
              50,
              2,
              59,
              10,
              181,
              83,
              218,
              281,
              96,
              232,
              164,
              123,
              22,
              367,
              138,
              162,
              57,
              18,
              280,
              194,
              158,
              245,
              220,
              215,
              23,
              85,
              157,
              360,
              243,
              312,
              275,
              262,
              132,
              206,
              170,
              253,
              193,
              323,
              176,
              99,
              183,
              42,
              43,
              87,
              192,
              133,
              51,
              335,
              113,
              106,
              141,
              327,
              210,
              104,
              71,
              296,
              128,
              211,
              152,
              7,
              234,
              108,
              235
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "33",
          "1 0.54",
          "10 -0.62",
          "11 -0.9",
          "12 0.28",
          "13 0.28",
          "14 0.28",
          "15 0.54",
          "16 0.56",
          "17 0.28",
          "18 -0.08",
          "2 0.54",
          "21 0.11",
          "22 -0.08",
          "23 -0.08",
          "24 0.04",
          "28 0.23",
          "29 0.41",
          "3 -0.56",
          "30 0.69",
          "31 -0.07",
          "32 -0.29",
          "33 -0.08",
          "34 -0.08",
          "35 -0.08",
          "4 -0.56",
          "5 -0.56",
          "54 0.15",
          "6 -0.58",
          "64 0.4",
          "65 0.4",
          "7 0.05",
          "8 -0.57",
          "9 -0.57"
        }
      },
      {
        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 { 62, 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 11 cation",
          "1 11 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "3 16 19 20 hydrophobe",
          "3 7 8 24 cation",
          "3 7 9 21 cation",
          "3 9 10 30 cation",
          "4 18 25 26 27 hydrophobe",
          "5 3 12 13 14 15 rings",
          "5 4 5 12 13 16 rings",
          "5 7 8 21 24 28 rings",
          "6 9 10 21 28 29 30 rings"
        }
      }
    },
    count {
      heavy-atom 35,
      atom-chiral 4,
      atom-chiral-def 0,
      atom-chiral-undef 4,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}