PC-Compounds ::= {
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              86,
              49,
              143,
              112,
              23,
              325,
              8,
              98,
              352,
              106,
              85,
              272,
              76,
              171,
              343,
              365,
              161,
              141,
              170,
              271,
              324,
              99,
              17,
              30,
              183,
              137,
              27,
              134,
              119,
              335,
              245,
              25,
              264,
              44,
              320,
              28,
              72,
              18,
              14,
              187,
              321,
              160,
              103,
              133,
              358,
              32,
              203,
              39,
              309,
              41,
              104,
              179,
              65,
              12,
              162,
              54,
              222,
              299,
              117,
              38,
              157,
              175,
              84,
              156,
              46,
              21,
              101,
              33,
              3,
              232,
              105,
              136,
              123,
              265,
              34,
              212,
              87,
              293,
              9,
              51,
              53,
              70,
              199,
              233,
              206,
              113,
              4,
              177,
              13,
              47,
              2,
              254,
              61,
              7,
              275,
              19,
              307,
              74,
              5,
              15,
              10,
              224,
              110,
              209,
              150,
              40
            }
          }
        }
      }
    },
    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 {
          "55",
          "1 -0.18",
          "10 -0.62",
          "11 0.35",
          "12 -0.14",
          "13 0.57",
          "14 0.12",
          "15 -0.14",
          "17 0.44",
          "18 -0.15",
          "19 -0.15",
          "2 -0.18",
          "20 -0.15",
          "21 0.18",
          "22 -0.14",
          "23 0.18",
          "24 -0.15",
          "25 0.09",
          "26 -0.15",
          "27 -0.15",
          "28 0.08",
          "29 0.54",
          "3 -0.57",
          "30 -0.15",
          "31 -0.15",
          "32 0.72",
          "33 -0.15",
          "34 0.3",
          "35 0.08",
          "36 -0.14",
          "38 0.28",
          "39 -0.15",
          "4 -0.36",
          "40 0.16",
          "41 0.28",
          "42 -0.15",
          "43 0.16",
          "49 0.15",
          "5 -0.57",
          "50 0.15",
          "51 0.15",
          "52 0.15",
          "53 0.15",
          "54 0.15",
          "55 0.15",
          "56 0.15",
          "58 0.15",
          "6 -0.68",
          "67 0.4",
          "68 0.15",
          "69 0.15",
          "7 -0.36",
          "70 0.15",
          "74 0.15",
          "8 -0.48",
          "9 -0.66"
        }
      },
      {
        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 { 104, 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 10 acceptor",
          "1 3 acceptor",
          "1 4 acceptor",
          "1 5 acceptor",
          "1 6 acceptor",
          "1 6 donor",
          "1 7 acceptor",
          "5 8 11 12 13 14 rings",
          "6 10 36 39 40 42 43 rings",
          "6 12 14 18 19 23 24 rings",
          "6 15 20 21 25 26 27 rings",
          "6 22 28 30 31 33 35 rings"
        }
      }
    },
    count {
      heavy-atom 43,
      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}