PC-Compounds ::= {
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              137,
              8,
              225,
              27,
              22,
              48,
              85,
              35,
              24,
              42,
              120,
              30,
              3,
              97,
              11,
              196,
              31,
              18,
              92,
              139,
              86,
              69,
              122,
              74,
              20,
              149,
              132,
              15,
              218,
              123,
              80,
              217,
              12,
              54,
              224,
              4,
              53,
              32,
              23,
              199,
              112,
              153,
              155,
              9,
              77,
              116,
              40,
              166,
              14,
              110
            }
          }
        }
      }
    },
    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 {
          "32",
          "1 -0.18",
          "10 0.27",
          "12 0.06",
          "13 0.27",
          "14 0.3",
          "15 0.33",
          "16 0.27",
          "19 0.57",
          "2 -0.57",
          "20 0.57",
          "21 0.3",
          "22 0.28",
          "23 0.12",
          "27 0.18",
          "28 -0.15",
          "3 -0.57",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "4 -0.68",
          "48 0.36",
          "5 -0.81",
          "56 0.37",
          "6 -0.9",
          "62 0.15",
          "7 -0.48",
          "75 0.4",
          "76 0.15",
          "77 0.15",
          "78 0.15",
          "8 -0.73",
          "9 0.27"
        }
      },
      {
        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 { 112, 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 {
          "14",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 cation",
          "1 6 cation",
          "1 6 donor",
          "1 8 donor",
          "3 10 17 18 hydrophobe",
          "3 25 29 30 hydrophobe",
          "3 26 31 32 hydrophobe",
          "6 23 27 28 33 34 35 rings",
          "6 5 7 10 14 15 19 rings",
          "6 6 9 11 12 13 16 rings"
        }
      }
    },
    count {
      heavy-atom 35,
      atom-chiral 4,
      atom-chiral-def 3,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}