PC-Compounds ::= {
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              139,
              11,
              133,
              91,
              99,
              41,
              33,
              44,
              19,
              66,
              153,
              203,
              138,
              9,
              38,
              145,
              163,
              67,
              126,
              124,
              209,
              68,
              35,
              87,
              110,
              17,
              113,
              8,
              164,
              129,
              85,
              34,
              10,
              25,
              75,
              23,
              2,
              177,
              140,
              73,
              4,
              132,
              125,
              202,
              26,
              18
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "38",
          "1 -0.53",
          "10 0.27",
          "11 0.27",
          "12 0.27",
          "13 -0.14",
          "16 0.3",
          "18 -0.15",
          "19 -0.15",
          "2 -0.57",
          "22 0.08",
          "23 0.57",
          "24 -0.15",
          "25 0.33",
          "26 -0.15",
          "27 0.14",
          "28 -0.14",
          "29 0.41",
          "3 -0.53",
          "30 -0.14",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.08",
          "4 -0.81",
          "5 -0.73",
          "52 0.15",
          "53 0.15",
          "54 0.37",
          "6 -0.9",
          "62 0.15",
          "63 0.15",
          "66 0.36",
          "69 0.45",
          "7 0.14",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.45"
        }
      },
      {
        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 { 9, 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 {
          "12",
          "1 1 donor",
          "1 2 acceptor",
          "1 3 donor",
          "1 4 cation",
          "1 5 donor",
          "1 6 cation",
          "1 6 donor",
          "3 17 20 21 hydrophobe",
          "6 13 18 19 22 24 26 rings",
          "6 28 30 31 32 33 34 rings",
          "6 4 7 8 9 10 11 rings",
          "6 6 25 27 28 29 30 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 16
    }
  }
}