PC-Compounds ::= {
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          "3 -0.68",
          "30 -0.14",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "4 -0.68",
          "44 0.4",
          "45 0.4",
          "46 0.15",
          "47 0.4",
          "5 0.05",
          "52 0.4",
          "53 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.57",
          "60 0.15",
          "61 0.15",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "7 -0.57",
          "8 0.05",
          "9 -0.87"
        }
      },
      {
        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 { 9, 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 {
          "19",
          "1 1 acceptor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 8 cation",
          "1 9 cation",
          "1 9 donor",
          "3 5 6 17 cation",
          "3 5 7 16 cation",
          "3 7 10 27 cation",
          "5 1 11 12 13 14 rings",
          "5 5 6 16 17 18 rings",
          "5 8 20 23 24 25 rings",
          "6 23 24 28 29 31 32 rings",
          "6 30 33 34 35 36 37 rings",
          "6 7 10 16 18 19 27 rings"
        }
      }
    },
    count {
      heavy-atom 37,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}