PC-Compounds ::= {
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      }
    },
    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 {
          "50",
          "1 -0.56",
          "10 -0.99",
          "11 0.03",
          "12 -0.62",
          "13 -0.9",
          "14 0.28",
          "15 0.28",
          "16 0.28",
          "17 0.54",
          "18 0.27",
          "19 0.27",
          "2 -0.68",
          "20 0.27",
          "23 0.11",
          "24 0.04",
          "25 0.18",
          "26 0.23",
          "27 0.33",
          "28 -0.18",
          "29 0.41",
          "3 -0.68",
          "31 -0.3",
          "32 0.66",
          "33 -0.15",
          "34 0.47",
          "35 -0.15",
          "36 -0.15",
          "37 -0.15",
          "38 -0.15",
          "4 -0.65",
          "49 0.4",
          "5 -0.57",
          "52 0.4",
          "55 0.15",
          "59 0.15",
          "6 -0.81",
          "60 0.36",
          "61 0.36",
          "62 0.15",
          "63 0.27",
          "64 0.15",
          "65 0.15",
          "66 0.4",
          "67 0.4",
          "68 0.15",
          "69 0.15",
          "7 0.05",
          "70 0.5",
          "8 -0.57",
          "9 -0.57"
        }
      },
      {
        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 { 12, 10, 0 }
      },
      {
        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 {
          "23",
          "1 1 acceptor",
          "1 10 cation",
          "1 10 donor",
          "1 11 cation",
          "1 11 donor",
          "1 13 cation",
          "1 13 donor",
          "1 2 acceptor",
          "1 2 donor",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 cation",
          "3 4 5 32 anion",
          "3 7 8 24 cation",
          "3 7 9 23 cation",
          "3 9 12 34 cation",
          "5 1 14 15 16 17 rings",
          "5 11 28 30 31 33 rings",
          "5 7 8 23 24 26 rings",
          "6 30 33 35 36 37 38 rings",
          "6 9 12 23 26 29 34 rings"
        }
      }
    },
    count {
      heavy-atom 38,
      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}