PC-Compounds ::= {
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            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "61",
          "1 -0.18",
          "10 -0.3",
          "11 -0.51",
          "12 0.05",
          "13 -0.34",
          "14 -0.34",
          "15 0.7",
          "16 0.37",
          "17 0.37",
          "18 0.37",
          "19 0.37",
          "2 -0.29",
          "20 0.28",
          "21 0.28",
          "22 0.1",
          "23 0.28",
          "24 0.23",
          "25 0.1",
          "26 -0.14",
          "27 -0.15",
          "28 -0.15",
          "29 0.08",
          "3 -0.56",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 0.12",
          "37 -0.15",
          "38 -0.15",
          "39 0.3",
          "4 -0.56",
          "40 -0.15",
          "41 -0.15",
          "42 0.69",
          "43 0.18",
          "44 0.24",
          "46 0.45",
          "49 0.04",
          "5 -0.36",
          "50 0.26",
          "6 -0.57",
          "66 0.15",
          "67 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.84",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "75 0.15",
          "77 0.15",
          "78 0.15",
          "8 -0.84",
          "81 0.06",
          "88 0.15",
          "9 -0.24"
        }
      },
      {
        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 { 142, 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 {
          "16",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 48 hydrophobe",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 cation",
          "1 8 cation",
          "3 12 13 44 cation",
          "3 12 14 49 cation",
          "5 12 13 14 44 49 rings",
          "5 3 4 15 20 21 rings",
          "5 9 10 11 42 46 rings",
          "6 22 27 28 29 34 35 rings",
          "6 25 30 31 36 37 38 rings",
          "6 26 32 33 40 41 43 rings",
          "6 7 8 16 17 18 19 rings"
        }
      }
    },
    count {
      heavy-atom 50,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}