PC-Compounds ::= {
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          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "38",
          "1 -0.56",
          "10 0.03",
          "11 0.3",
          "12 0.86",
          "13 0.64",
          "14 0.36",
          "16 0.3",
          "17 0.57",
          "18 0.14",
          "2 -0.68",
          "20 0.27",
          "21 0.57",
          "22 0.06",
          "26 0.27",
          "27 0.18",
          "28 -0.14",
          "29 0.57",
          "3 -0.57",
          "32 -0.18",
          "35 0.27",
          "36 -0.15",
          "37 -0.15",
          "38 -0.3",
          "4 -0.57",
          "41 -0.15",
          "42 -0.15",
          "5 -0.57",
          "6 -0.66",
          "61 0.37",
          "64 0.4",
          "7 -0.66",
          "75 0.15",
          "76 0.15",
          "8 -0.73",
          "83 0.27",
          "84 0.15",
          "85 0.15",
          "9 -0.81"
        }
      },
      {
        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 { 82, 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 {
          "19",
          "1 1 acceptor",
          "1 10 cation",
          "1 10 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 8 donor",
          "1 9 cation",
          "3 24 33 34 hydrophobe",
          "3 30 39 40 hydrophobe",
          "5 1 6 12 13 17 rings",
          "5 10 31 32 36 38 rings",
          "5 7 11 15 16 19 rings",
          "6 18 20 27 28 31 32 rings",
          "6 28 31 36 37 41 42 rings",
          "6 6 7 11 12 14 21 rings",
          "6 9 18 20 22 23 26 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 7,
      atom-chiral-def 7,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}