PC-Compounds ::= {
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          "22 -0.73",
          "23 -0.99",
          "24 -0.66",
          "25 -0.85",
          "26 0.28",
          "27 0.28",
          "28 0.28",
          "29 0.41",
          "3 1.51",
          "30 0.58",
          "31 0.65",
          "32 0.39",
          "33 0.44",
          "34 0.28",
          "35 0.42",
          "36 -0.19",
          "37 -0.19",
          "38 0.57",
          "39 0.28",
          "4 1.51",
          "40 0.82",
          "41 -0.04",
          "42 0.84",
          "43 -0.14",
          "44 0.49",
          "5 -0.56",
          "52 0.36",
          "53 0.4",
          "59 0.4",
          "6 -0.56",
          "60 0.4",
          "62 0.37",
          "63 0.15",
          "64 0.15",
          "65 0.36",
          "66 0.36",
          "67 0.5",
          "68 0.4",
          "69 0.4",
          "7 -0.68",
          "70 0.5",
          "8 -0.68",
          "9 -0.55"
        }
      },
      {
        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 { 112, 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 {
          "26",
          "1 11 acceptor",
          "1 13 acceptor",
          "1 14 acceptor",
          "1 15 acceptor",
          "1 16 acceptor",
          "1 17 acceptor",
          "1 18 cation",
          "1 18 donor",
          "1 19 donor",
          "1 22 donor",
          "1 23 cation",
          "1 23 donor",
          "1 24 donor",
          "1 25 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "3 19 21 33 cation",
          "5 5 26 27 28 30 rings",
          "6 18 19 29 31 32 33 rings",
          "6 20 24 41 42 43 44 rings",
          "6 21 22 32 33 38 40 rings",
          "6 6 29 31 35 36 37 rings"
        }
      }
    },
    count {
      heavy-atom 44,
      atom-chiral 9,
      atom-chiral-def 7,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 12
    }
  }
}