PC-Compounds ::= {
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              67,
              187,
              16,
              222,
              183,
              125,
              143,
              173,
              34,
              141,
              90,
              293,
              219,
              105,
              104,
              133,
              86,
              255,
              35,
              42,
              48,
              160,
              11,
              311,
              8,
              17,
              100,
              126,
              127,
              200,
              256,
              185,
              76,
              233,
              134,
              180,
              243,
              107,
              301,
              129,
              260,
              61,
              22,
              41,
              198,
              46,
              122,
              3,
              225,
              40,
              211,
              110,
              247,
              12,
              68,
              36,
              80,
              23,
              89,
              295,
              116,
              44,
              25,
              261,
              56,
              28,
              78,
              38,
              87,
              6,
              289,
              72,
              13,
              209,
              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 {
          "36",
          "1 1.24",
          "10 -0.66",
          "11 -0.73",
          "12 -0.73",
          "14 0.3",
          "2 -0.34",
          "21 0.3",
          "22 0.57",
          "23 0.36",
          "28 0.57",
          "29 0.36",
          "3 -0.34",
          "30 0.14",
          "31 -0.14",
          "32 0.57",
          "33 -0.15",
          "34 -0.15",
          "35 -0.14",
          "36 -0.15",
          "37 -0.15",
          "38 0.06",
          "39 0.82",
          "4 -0.57",
          "5 -0.57",
          "6 -0.57",
          "66 0.37",
          "7 -0.77",
          "70 0.37",
          "71 0.15",
          "72 0.15",
          "73 0.15",
          "74 0.15",
          "78 0.5",
          "79 0.5",
          "8 -0.77",
          "9 -0.7"
        }
      },
      {
        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 { 144, 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 {
          "13",
          "1 11 donor",
          "1 12 donor",
          "1 27 hydrophobe",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "4 1 7 8 9 anion",
          "6 13 15 16 17 18 19 rings",
          "6 31 33 34 35 36 37 rings",
          "7 10 21 22 23 24 25 26 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 8
    }
  }
}