PC-Compounds ::= {
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              152,
              113,
              185,
              74,
              38,
              127,
              94,
              36,
              158,
              78,
              92,
              142,
              12,
              85,
              105,
              52,
              60,
              104,
              16,
              168,
              189,
              17,
              41,
              164,
              131,
              10,
              221,
              102,
              20,
              154,
              30,
              84,
              21,
              134,
              123,
              147,
              228,
              33,
              54,
              28,
              96,
              4,
              229,
              5,
              68,
              56,
              148,
              64,
              19,
              22,
              120,
              24,
              14,
              44,
              161,
              39,
              107
            }
          }
        }
      }
    },
    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 -0.08",
          "10 0.28",
          "12 0.45",
          "13 0.28",
          "2 -0.68",
          "20 0.06",
          "21 0.14",
          "22 0.66",
          "23 -0.28",
          "24 0.42",
          "25 0.14",
          "26 -0.29",
          "27 0.14",
          "28 -0.28",
          "29 0.14",
          "3 -0.68",
          "30 -0.1",
          "31 0.18",
          "32 -0.11",
          "33 0.2",
          "34 0.18",
          "4 -0.57",
          "5 -0.43",
          "59 0.4",
          "6 -0.57",
          "60 0.4",
          "64 0.15",
          "7 -0.57",
          "71 0.15",
          "72 0.15",
          "8 0.06",
          "9 0.06"
        }
      },
      {
        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 { 44, 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 {
          "10",
          "1 2 acceptor",
          "1 2 donor",
          "1 29 hydrophobe",
          "1 3 acceptor",
          "1 3 donor",
          "1 4 acceptor",
          "1 6 acceptor",
          "1 7 acceptor",
          "3 8 15 16 hydrophobe",
          "5 1 7 31 32 33 rings"
        }
      }
    },
    count {
      heavy-atom 34,
      atom-chiral 5,
      atom-chiral-def 3,
      atom-chiral-undef 2,
      bond-chiral 2,
      bond-chiral-def 2,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}