PC-Compounds ::= {
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          "25 -0.7",
          "26 -0.7",
          "27 -0.47",
          "28 -0.47",
          "29 -0.49",
          "3 1.24",
          "30 -0.49",
          "31 0.28",
          "32 0.28",
          "33 0.28",
          "34 0.28",
          "35 0.28",
          "36 0.28",
          "37 0.58",
          "38 0.58",
          "39 0.28",
          "4 1.24",
          "40 0.28",
          "41 0.69",
          "42 0.69",
          "43 -0.04",
          "44 -0.04",
          "45 -0.14",
          "46 -0.14",
          "47 0.62",
          "48 0.62",
          "5 -0.56",
          "6 -0.56",
          "62 0.4",
          "63 0.4",
          "64 0.4",
          "65 0.4",
          "66 0.15",
          "67 0.15",
          "68 0.37",
          "69 0.37",
          "7 -0.68",
          "70 0.15",
          "71 0.15",
          "74 0.5",
          "75 0.5",
          "76 0.5",
          "77 0.5",
          "8 -0.68",
          "9 -0.68"
        }
      },
      {
        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 { 16, 10, 0 }
      },
      {
        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 {
          "28",
          "1 10 acceptor",
          "1 10 donor",
          "1 15 acceptor",
          "1 16 acceptor",
          "1 17 acceptor",
          "1 18 acceptor",
          "1 19 acceptor",
          "1 20 acceptor",
          "1 21 acceptor",
          "1 22 acceptor",
          "1 23 acceptor",
          "1 24 acceptor",
          "1 25 acceptor",
          "1 26 acceptor",
          "1 29 donor",
          "1 30 donor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "1 9 donor",
          "5 5 31 33 35 37 rings",
          "5 6 32 34 36 38 rings",
          "6 27 29 41 43 45 47 rings",
          "6 28 30 42 44 46 48 rings"
        }
      }
    },
    count {
      heavy-atom 49,
      atom-chiral 8,
      atom-chiral-def 8,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 6
    }
  }
}