PC-Compounds ::= {
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              20,
              38,
              55,
              332,
              76,
              194,
              433,
              464,
              303,
              362,
              195,
              339,
              199,
              240,
              316,
              371,
              325,
              4,
              463,
              95,
              399,
              301,
              223,
              191,
              222,
              146,
              109,
              380,
              392,
              107,
              16,
              319,
              400,
              100,
              202,
              9,
              354,
              426,
              448,
              69,
              242,
              116,
              220,
              331,
              212,
              384,
              372,
              385,
              53,
              49,
              168,
              62,
              378,
              214,
              328,
              381,
              318,
              216,
              388,
              117,
              373,
              48,
              416,
              58,
              137,
              134,
              436,
              446,
              272,
              338,
              24,
              246,
              7,
              477,
              211,
              285,
              84,
              88,
              370,
              309,
              5,
              355,
              435,
              46,
              149,
              96,
              330,
              110,
              360,
              196,
              282,
              60,
              439,
              12,
              231,
              157,
              81,
              270,
              32,
              68,
              198,
              268,
              93,
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              61,
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              98,
              230,
              65,
              169,
              39,
              6,
              462,
              403,
              17,
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              265,
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              387,
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              31,
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              59,
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              13,
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              10,
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              40,
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              25,
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              304,
              71,
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              293,
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              33,
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              66,
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              3,
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              119,
              306,
              345,
              158
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "34",
          "1 -0.18",
          "10 0.3",
          "11 0.06",
          "12 0.27",
          "13 0.3",
          "14 0.54",
          "17 0.09",
          "18 0.09",
          "19 0.14",
          "2 -0.18",
          "20 -0.15",
          "21 -0.15",
          "22 -0.14",
          "23 0.18",
          "24 -0.15",
          "25 -0.15",
          "26 -0.15",
          "3 -0.22",
          "30 -0.15",
          "31 -0.15",
          "32 0.18",
          "4 -0.57",
          "46 0.15",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.55",
          "50 0.15",
          "6 -0.35",
          "60 0.15",
          "61 0.15",
          "7 -0.51",
          "8 0.28",
          "9 0.27"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "2.3.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 62, 10, -1 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "2.0.4",
          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "8",
          "1 4 acceptor",
          "1 7 acceptor",
          "3 12 15 16 hydrophobe",
          "4 19 27 28 29 hydrophobe",
          "5 3 7 8 11 13 rings",
          "5 5 6 8 9 10 rings",
          "6 17 23 24 30 31 32 rings",
          "6 18 20 21 22 25 26 rings"
        }
      }
    },
    count {
      heavy-atom 32,
      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 1
    }
  }
}