PC-Compounds ::= {
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              23,
              130,
              105,
              12
            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "44",
          "1 -0.12",
          "10 0.05",
          "11 -0.41",
          "12 0.3",
          "15 0.27",
          "16 0.27",
          "17 0.3",
          "18 0.27",
          "2 -0.08",
          "21 0.3",
          "22 0.28",
          "25 0.54",
          "26 0.71",
          "27 -0.24",
          "28 0.09",
          "29 -0.15",
          "3 -0.68",
          "31 -0.15",
          "32 -0.15",
          "33 -0.15",
          "34 0.44",
          "35 -0.15",
          "36 0.11",
          "37 -0.15",
          "38 0.14",
          "39 0.04",
          "4 -0.57",
          "40 -0.15",
          "41 -0.15",
          "42 0.16",
          "5 -0.57",
          "6 -0.02",
          "60 0.37",
          "69 0.15",
          "7 -0.81",
          "70 0.15",
          "71 0.15",
          "74 0.15",
          "75 0.4",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "8 -0.66",
          "9 -0.73"
        }
      },
      {
        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 { 122, 10, -1 }
      },
      {
        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 cation",
          "1 11 acceptor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 7 cation",
          "1 9 donor",
          "3 18 23 24 hydrophobe",
          "5 10 27 29 30 31 rings",
          "5 2 39 40 41 42 rings",
          "5 6 11 36 37 38 rings",
          "5 8 17 19 20 21 rings",
          "6 28 29 30 32 33 35 rings",
          "6 7 12 13 14 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 42,
      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}