PC-Compounds ::= {
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              157,
              207,
              93,
              236,
              137,
              71,
              31,
              42,
              155,
              64,
              103,
              28,
              212,
              20,
              101,
              243,
              195,
              68,
              87,
              162,
              18,
              72,
              86,
              50,
              17,
              98,
              201,
              22,
              254,
              130,
              51,
              172,
              12,
              89,
              39,
              37,
              2,
              7,
              8,
              224,
              56,
              62,
              4,
              3,
              111,
              5
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
          "40",
          "1 -0.18",
          "10 -0.48",
          "11 0.06",
          "12 0.3",
          "15 0.3",
          "17 0.34",
          "18 0.3",
          "19 0.06",
          "2 -0.56",
          "20 0.57",
          "21 0.57",
          "22 0.57",
          "23 0.12",
          "24 -0.14",
          "28 0.66",
          "29 -0.14",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 0.08",
          "33 -0.15",
          "34 -0.15",
          "35 0.18",
          "36 0.08",
          "37 -0.15",
          "38 -0.15",
          "39 0.56",
          "4 -0.57",
          "5 -0.65",
          "6 -0.36",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "67 0.15",
          "68 0.5",
          "69 0.15",
          "7 -0.57",
          "70 0.15",
          "8 -0.36",
          "9 -0.66"
        }
      },
      {
        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 { 96, 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 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "3 5 7 28 anion",
          "4 16 25 26 27 hydrophobe",
          "5 6 8 32 36 39 rings",
          "6 23 24 30 31 33 35 rings",
          "6 29 32 34 36 37 38 rings",
          "6 9 11 12 13 14 15 rings",
          "7 2 10 17 20 22 23 24 rings"
        }
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 3,
      atom-chiral-def 2,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}