PC-Compounds ::= {
  {
    id {
      id cid 11159010
    },
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        2,
        3,
        4,
        5,
        6,
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      element {
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        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 31,
          value 1
        },
        {
          aid 32,
          value 1
        },
        {
          aid 35,
          value -1
        },
        {
          aid 36,
          value -1
        }
      }
    },
    bonds {
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        1,
        1,
        1,
        2,
        2,
        2,
        2,
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        3,
        3,
        3,
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      order {
        double,
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        single,
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        single,
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        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
          twod,
          computed,
          units-unknown
        },
        aid {
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          86,
          87,
          88,
          89,
          90,
          91,
          92,
          93,
          94,
          95,
          96
        },
        conformers {
          {
            x {
              { 119448, 10, -4 },
              { 102127, 10, -4 },
              { 34641, 10, -4 },
              { 1732, 10, -3 },
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              { 0, 10, 0 },
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              { 117534, 10, -4 },
              { 120676, 10, -4 }
            },
            y {
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              { 0, 10, 0 },
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              { 4232, 10, -3 },
              { 50506, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                31,
                31,
                32,
                32,
                33,
                33,
                34,
                34,
                43,
                44
              },
              aid2 {
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                43,
                38,
                44,
                37,
                45,
                38,
                46,
                45,
                46
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2021.10.14"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 855, 10, 0 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 28
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 0
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 17
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value binary '00000371F07BBDC0700000000000000000000000000162C000000000
0000000000000001E000001D04004000000800C103142F90170C1002A0001227647000802D1112
A00940001830008048000088001400000800028000200000000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-butyl-2-[1-butyl-3-(
4,4,4-trifluorobutyl)imidazol-3-ium-2-yl]-3-(4,4,4-trifluorobutyl)imidazol-3-i
um"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-butyl-2-[1-butyl-3-(
4,4,4-trifluorobutyl)-2-imidazol-3-iumyl]-3-(4,4,4-trifluorobutyl)imidazol-3-i
um"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-butyl-2-[1-butyl-3-(
4,4,4-trifluorobutyl)imidazol-3-ium-2-yl]-3-(4,4,4-trifluorobutyl)imidazol-3-i
um"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-butyl-2-[1-butyl-3-(
4,4,4-trifluorobutyl)imidazol-3-ium-2-yl]-3-(4,4,4-trifluorobutyl)imidazol-3-i
um"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "bis(trifluoromethylsulfonyl)azanide;1-butyl-2-[1-butyl-3-[
4,4,4-tris(fluoranyl)butyl]imidazol-3-ium-2-yl]-3-[4,4,4-tris(fluoranyl)butyl]
imidazol-3-ium"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "1-butyl-2-[1-butyl-3-(4,4,4-trifluorobutyl)imidazol-3-ium-
2-yl]-3-(4,4,4-trifluorobutyl)imidazol-3-ium;ditriflylazanide"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "InChI=1S/C22H34F6N4.2C2F6NO4S2/c1-3-5-11-29-15-17-31(13-7-
9-21(23,24)25)19(29)20-30(12-6-4-2)16-18-32(20)14-8-10-22(26,27)28;2*3-1(4,5)1
4(10,11)9-15(12,13)2(6,7)8/h15-18H,3-14H2,1-2H3;;/q+2;2*-1"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "QWESXAAKNHJIOE-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "1028.1033537"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "C26H34F18N6O8S4"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "1028.8"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "CCCCN1C=C[N+](=C1C2=[N+](C=CN2CCCC)CCCC(F)(F)F)CCCC(F)(F)F
.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)
(F)F"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "CCCCN1C=C[N+](=C1C2=[N+](C=CN2CCCC)CCCC(F)(F)F)CCCC(F)(F)F
.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.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 "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 19, 10, 1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "1028.1033537"
      }
    },
    count {
      heavy-atom 62,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 3,
      tautomers -1
    }
  }
}