PC-Compounds ::= {
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              62,
              67,
              12,
              42,
              10,
              59,
              31,
              28,
              9,
              39,
              21,
              51,
              26,
              29,
              52,
              30,
              18,
              35,
              36,
              41,
              13,
              6,
              8,
              34,
              32,
              44,
              11,
              14,
              2,
              27,
              15,
              20,
              7,
              1,
              4
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "46",
          "1 -0.18",
          "10 -0.57",
          "11 -0.66",
          "12 -0.48",
          "13 0.3",
          "17 0.3",
          "19 0.06",
          "2 -0.56",
          "20 0.57",
          "21 0.06",
          "22 0.34",
          "25 0.66",
          "26 0.3",
          "27 0.57",
          "28 0.57",
          "29 0.12",
          "3 -0.57",
          "30 -0.14",
          "31 0.28",
          "34 -0.14",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 0.08",
          "39 0.18",
          "4 -0.65",
          "40 -0.15",
          "41 0.08",
          "42 -0.15",
          "43 -0.15",
          "44 0.66",
          "45 0.06",
          "46 0.28",
          "47 0.28",
          "5 -0.57",
          "6 -0.57",
          "7 -0.43",
          "77 0.15",
          "78 0.15",
          "79 0.5",
          "8 -0.36",
          "80 0.15",
          "81 0.15",
          "82 0.15",
          "83 0.15",
          "9 -0.36"
        }
      },
      {
        urn {
          label "Count",
          name "Effective Rotor",
          datatype double,
          version "1.9.0",
          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 16, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "15",
          "1 10 acceptor",
          "1 2 acceptor",
          "1 23 hydrophobe",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 8 acceptor",
          "1 9 acceptor",
          "3 24 32 33 hydrophobe",
          "3 4 5 25 anion",
          "6 11 13 14 15 16 17 rings",
          "6 29 30 35 36 37 39 rings",
          "6 34 38 40 41 42 43 rings",
          "7 2 12 22 27 28 29 30 rings"
        }
      }
    },
    count {
      heavy-atom 47,
      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 2
    }
  }
}