PC-Compounds ::= {
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          "10 -0.65",
          "11 0.44",
          "12 0.23",
          "13 0.36",
          "14 0.28",
          "15 0.58",
          "18 0.66",
          "19 0.57",
          "2 -0.57",
          "20 0.27",
          "21 -0.14",
          "22 0.66",
          "23 -0.15",
          "24 -0.15",
          "25 -0.15",
          "26 -0.15",
          "27 0.42",
          "28 0.08",
          "29 -0.14",
          "3 -0.65",
          "30 -0.15",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 -0.15",
          "4 -0.57",
          "44 0.37",
          "46 0.5",
          "47 0.15",
          "48 0.15",
          "49 0.15",
          "5 -0.57",
          "50 0.15",
          "53 0.45",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "6 -0.43",
          "7 -0.57",
          "8 -0.53",
          "9 -0.59"
        }
      },
      {
        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 { 98, 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 {
          "14",
          "1 10 donor",
          "1 2 acceptor",
          "1 20 anion",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 acceptor",
          "1 8 donor",
          "3 12 16 17 hydrophobe",
          "3 3 4 18 anion",
          "4 9 11 14 15 rings",
          "6 21 23 24 25 26 28 rings",
          "6 29 30 31 32 33 34 rings",
          "7 1 9 11 12 13 14 15 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 4,
      atom-chiral-def 2,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 8
    }
  }
}