PC-Compounds ::= {
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              263,
              220,
              54,
              98,
              20,
              207,
              31,
              65,
              27,
              230,
              225,
              181,
              47,
              218,
              56,
              67,
              222,
              96,
              149,
              115,
              256,
              124,
              12,
              219,
              91,
              202,
              3,
              15,
              42,
              182,
              62,
              103,
              21,
              4,
              161,
              258,
              22,
              129,
              52,
              283,
              177,
              132,
              25
            }
          }
        }
      }
    },
    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 {
          "40",
          "1 -0.18",
          "11 0.06",
          "12 0.27",
          "13 0.3",
          "14 0.33",
          "15 0.27",
          "18 0.57",
          "19 0.57",
          "2 -0.57",
          "20 0.12",
          "21 0.44",
          "22 0.18",
          "23 -0.15",
          "25 -0.14",
          "27 -0.15",
          "28 -0.15",
          "29 -0.15",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "33 -0.15",
          "34 -0.15",
          "35 -0.15",
          "4 -0.81",
          "5 -0.9",
          "54 0.36",
          "55 0.37",
          "57 0.15",
          "6 -0.48",
          "62 0.15",
          "63 0.15",
          "64 0.15",
          "65 0.15",
          "66 0.15",
          "7 -0.73",
          "70 0.15",
          "71 0.15",
          "72 0.15",
          "8 0.27",
          "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 { 102, 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 {
          "12",
          "1 2 acceptor",
          "1 3 acceptor",
          "1 32 hydrophobe",
          "1 4 cation",
          "1 5 cation",
          "1 5 donor",
          "1 7 donor",
          "3 9 16 17 hydrophobe",
          "6 20 22 23 27 28 29 rings",
          "6 25 30 31 33 34 35 rings",
          "6 4 6 9 13 14 18 rings",
          "6 5 8 10 11 12 15 rings"
        }
      }
    },
    count {
      heavy-atom 35,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}