PC-Compounds ::= {
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          "25 -0.15",
          "26 0.31",
          "27 0.41",
          "29 -0.15",
          "3 -0.36",
          "30 -0.15",
          "31 0.08",
          "32 0.08",
          "33 0.28",
          "34 0.28",
          "4 -0.66",
          "5 -0.84",
          "51 0.15",
          "52 0.15",
          "53 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.4",
          "59 0.4",
          "6 -0.62",
          "7 -0.62",
          "8 -0.9",
          "9 0.06"
        }
      },
      {
        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 { 82, 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 {
          "10",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 8 donor",
          "4 5 6 7 22 cation",
          "5 9 10 11 12 13 rings",
          "6 15 20 21 23 24 25 rings",
          "6 26 28 29 30 31 32 rings",
          "6 4 5 16 17 18 19 rings",
          "6 6 7 22 26 27 28 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}