PC-Compounds ::= {
  {
    id {
      id cid 16108728
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43
      },
      element {
        s,
        s,
        f,
        f,
        f,
        f,
        f,
        f,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      isotope {
        {
          aid 27,
          value 2
        },
        {
          aid 28,
          value 2
        },
        {
          aid 32,
          value 2
        },
        {
          aid 33,
          value 2
        },
        {
          aid 34,
          value 2
        },
        {
          aid 35,
          value 2
        },
        {
          aid 36,
          value 2
        },
        {
          aid 37,
          value 2
        },
        {
          aid 38,
          value 2
        },
        {
          aid 39,
          value 2
        },
        {
          aid 40,
          value 2
        },
        {
          aid 41,
          value 2
        },
        {
          aid 42,
          value 2
        },
        {
          aid 43,
          value 2
        }
      },
      charge {
        {
          aid 13,
          value 1
        },
        {
          aid 15,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        2,
        2,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        13,
        13,
        13,
        14,
        14,
        14,
        16,
        16,
        16,
        17,
        17,
        17,
        18,
        19,
        19,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        24
      },
      aid2 {
        9,
        10,
        15,
        25,
        11,
        12,
        15,
        26,
        25,
        25,
        25,
        26,
        26,
        26,
        16,
        18,
        19,
        17,
        18,
        20,
        21,
        22,
        27,
        23,
        24,
        28,
        29,
        20,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43
      },
      order {
        double,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
          twod,
          computed,
          units-unknown
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43
        },
        conformers {
          {
            x {
              { 34641, 10, -4 },
              { 1732, 10, -3 },
              { 51962, 10, -4 },
              { 38301, 10, -4 },
              { 48301, 10, -4 },
              { 0, 10, 0 },
              { 366, 10, -3 },
              { 1366, 10, -3 },
              { 29641, 10, -4 },
              { 39641, 10, -4 },
              { 1232, 10, -3 },
              { 2232, 10, -3 },
              { 21927, 10, -4 },
              { 26927, 10, -4 },
              { 25981, 10, -4 },
              { 21927, 10, -4 },
              { 32804, 10, -4 },
              { 30017, 10, -4 },
              { 13836, 10, -4 },
              { 16927, 10, -4 },
              { 25348, 10, -4 },
              { 11927, 10, -4 },
              { 41095, 10, -4 },
              { 24714, 10, -4 },
              { 43301, 10, -4 },
              { 866, 10, -3 },
              { 28127, 10, -4 },
              { 3782, 10, -3 },
              { 35913, 10, -4 },
              { 794, 10, -3 },
              { 13282, 10, -4 },
              { 27468, 10, -4 },
              { 31173, 10, -4 },
              { 19521, 10, -4 },
              { 5727, 10, -4 },
              { 11927, 10, -4 },
              { 9807, 10, -4 },
              { 46235, 10, -4 },
              { 44562, 10, -4 },
              { 37628, 10, -4 },
              { 19698, 10, -4 },
              { 2107, 10, -3 },
              { 26423, 10, -4 }
            },
            y {
              { 866, 10, -3 },
              { 866, 10, -3 },
              { 1866, 10, -3 },
              { 2232, 10, -3 },
              { 5, 10, -1 },
              { 1866, 10, -3 },
              { 5, 10, -1 },
              { 2232, 10, -3 },
              { 1732, 10, -3 },
              { 0, 10, 0 },
              { 0, 10, 0 },
              { 1732, 10, -3 },
              { 67543, 10, -4 },
              { 82932, 10, -4 },
              { 366, 10, -3 },
              { 57543, 10, -4 },
              { 91022, 10, -4 },
              { 73421, 10, -4 },
              { 73421, 10, -4 },
              { 82932, 10, -4 },
              { 48147, 10, -4 },
              { 57543, 10, -4 },
              { 96614, 10, -4 },
              { 969, 10, -2 },
              { 1366, 10, -3 },
              { 1366, 10, -3 },
              { 57543, 10, -4 },
              { 87378, 10, -4 },
              { 71505, 10, -4 },
              { 71505, 10, -4 },
              { 87948, 10, -4 },
              { 4232, 10, -3 },
              { 50267, 10, -4 },
              { 46026, 10, -4 },
              { 57543, 10, -4 },
              { 63743, 10, -4 },
              { 51717, 10, -4 },
              { 100081, 10, -4 },
              { 91474, 10, -4 },
              { 101754, 10, -4 },
              { 100544, 10, -4 },
              { 91884, 10, -4 },
              { 102859, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                13,
                13,
                14,
                14,
                19
              },
              aid2 {
                18,
                19,
                18,
                20,
                20
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2019.01.04"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 48, 10, 1 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 11
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 0
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 4
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value binary '00000371E07339C06000000000000000000000000001600000000000
00000000000000018000001D04004000000828C102142F90170C1002A0001027647000802D1112
A00940001830008048000008001000000800028000200000000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "1,3-bis[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]i
midazol-1-ium;bis(trifluoromethylsulfonyl)azanide"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "1,3-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)imidazol-1-
ium;bis(trifluoromethylsulfonyl)azanide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "1,3-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)imidazol-1-
ium;bis(trifluoromethylsulfonyl)azanide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "1,3-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)imidazol-1-
ium;bis(trifluoromethylsulfonyl)azanide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "1,3-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)imidazol-1-
ium;bis(trifluoromethylsulfonyl)azanide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "1,3-bis[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]i
midazol-1-ium;ditriflylazanide"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C9H17N2.C2F6NO4S2/c1-8(2)10-5-6-11(7-10)9(3)4;3-1
(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H,1-4H3;/q+1;-1/i1D3,2D3,3D3,4D3,8D,9D;"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "QCYAGTAEXCKVFO-MCMSYVKNSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "447.14434179"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C11H17F6N3O4S2"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "447.5"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CC(C)N1C=C[N+](=C1)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C
(F)(F)F"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N1C=C[N+](=C1)C
([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F
)(F)F"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 948, 10, -1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "447.14434179"
      }
    },
    count {
      heavy-atom 26,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 14,
      covalent-unit 2,
      tautomers -1
    }
  }
}