PC-Compounds ::= {
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            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
          "58",
          "1 -0.18",
          "10 -0.66",
          "11 -0.21",
          "12 0.35",
          "13 -0.14",
          "14 0.57",
          "15 0.12",
          "16 -0.14",
          "18 0.44",
          "19 -0.15",
          "2 -0.18",
          "20 -0.15",
          "21 -0.15",
          "22 0.18",
          "23 0.18",
          "24 -0.14",
          "25 -0.15",
          "26 0.09",
          "27 -0.15",
          "28 -0.15",
          "29 0.08",
          "3 -0.57",
          "30 0.54",
          "31 -0.15",
          "32 -0.15",
          "33 0.44",
          "34 -0.15",
          "35 0.3",
          "36 0.08",
          "37 -0.14",
          "39 0.21",
          "4 -0.36",
          "40 -0.15",
          "41 0.28",
          "42 -0.15",
          "43 0.21",
          "44 0.55",
          "45 0.28",
          "46 0.66",
          "5 -0.57",
          "52 0.15",
          "53 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "57 0.15",
          "58 0.15",
          "59 0.15",
          "6 -0.36",
          "62 0.15",
          "68 0.15",
          "69 0.15",
          "7 -0.65",
          "73 0.15",
          "74 0.15",
          "8 -0.57",
          "80 0.5",
          "9 -0.48"
        }
      },
      {
        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 { 124, 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 {
          "12",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "1 8 acceptor",
          "3 7 8 46 anion",
          "5 9 12 13 14 15 rings",
          "6 11 37 39 40 42 43 rings",
          "6 13 15 19 20 23 25 rings",
          "6 16 21 22 26 27 28 rings",
          "6 24 29 31 32 34 36 rings"
        }
      }
    },
    count {
      heavy-atom 46,
      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 1
    }
  }
}