PC-Compounds ::= {
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              261,
              174,
              101,
              40,
              260,
              118,
              330,
              34,
              130,
              213,
              195,
              222,
              215,
              292,
              202,
              85,
              65,
              165,
              72,
              98,
              61,
              295,
              288,
              251,
              131,
              84,
              185,
              276,
              345,
              43,
              133,
              103,
              67,
              217,
              26,
              116,
              329,
              64,
              136,
              218,
              76,
              42,
              335,
              323,
              354,
              6,
              78,
              320,
              336,
              99,
              89,
              163,
              63,
              132,
              309,
              36,
              198,
              357,
              129,
              321,
              201,
              170,
              328,
              54,
              287,
              266,
              300,
              286,
              224,
              290,
              31,
              214,
              216,
              262,
              123,
              140,
              8,
              289,
              90,
              232,
              223,
              16,
              109,
              96,
              86,
              235,
              353,
              4,
              33,
              196,
              27,
              191,
              97,
              141,
              176,
              13,
              21,
              334,
              184,
              41,
              91,
              343,
              220,
              92,
              347,
              313,
              239,
              87,
              83,
              303,
              168,
              104,
              39,
              48,
              137,
              149,
              121,
              167,
              17,
              173,
              161,
              51,
              10,
              207,
              348,
              105,
              209,
              2,
              230,
              253,
              69,
              212,
              299,
              37,
              275,
              308,
              111,
              340,
              349,
              186,
              29,
              7,
              225,
              339,
              319,
              162,
              179,
              314,
              229,
              75,
              332,
              1,
              305,
              331,
              231,
              352,
              338,
              350,
              333,
              327,
              264,
              358,
              228,
              166,
              337,
              164
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "19",
          "1 -0.68",
          "10 -0.28",
          "13 0.14",
          "16 -0.15",
          "19 -0.15",
          "2 -0.68",
          "21 -0.14",
          "22 0.14",
          "23 -0.14",
          "26 0.28",
          "27 0.42",
          "29 -0.3",
          "5 0.14",
          "51 0.15",
          "56 0.15",
          "70 0.15",
          "71 0.15",
          "72 0.4",
          "73 0.4"
        }
      },
      {
        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 { 8, 10, 0 }
      },
      {
        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 {
          "10",
          "1 1 acceptor",
          "1 1 donor",
          "1 15 hydrophobe",
          "1 2 acceptor",
          "1 2 donor",
          "3 20 24 25 hydrophobe",
          "5 3 4 5 6 7 rings",
          "5 9 14 17 18 20 hydrophobe",
          "6 21 22 23 26 27 28 rings",
          "6 3 5 8 10 12 13 rings"
        }
      }
    },
    count {
      heavy-atom 29,
      atom-chiral 6,
      atom-chiral-def 2,
      atom-chiral-undef 4,
      bond-chiral 2,
      bond-chiral-def 2,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}