PC-Compounds ::= {
  {
    id {
      id cid 57483616
    },
    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
      },
      element {
        s,
        f,
        f,
        f,
        f,
        f,
        f,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 12,
          value 1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        11,
        11,
        11,
        12,
        12,
        12,
        14,
        14,
        14,
        15,
        15,
        16,
        18,
        18,
        18
      },
      aid2 {
        8,
        9,
        10,
        19,
        17,
        17,
        17,
        19,
        19,
        19,
        13,
        13,
        14,
        15,
        13,
        16,
        18,
        17,
        20,
        21,
        16,
        22,
        23,
        24,
        25,
        26
      },
      order {
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        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
        },
        conformers {
          {
            x {
              { 57, 10, -1 },
              { 2, 10, 0 },
              { 3366, 10, -3 },
              { 2366, 10, -3 },
              { 61159, 10, -4 },
              { 68861, 10, -4 },
              { 49298, 10, -4 },
              { 54921, 10, -4 },
              { 66782, 10, -4 },
              { 47219, 10, -4 },
              { 3732, 10, -3 },
              { 4232, 10, -3 },
              { 45411, 10, -4 },
              { 3732, 10, -3 },
              { 2923, 10, -3 },
              { 3232, 10, -3 },
              { 2866, 10, -3 },
              { 48198, 10, -4 },
              { 59079, 10, -4 },
              { 39441, 10, -4 },
              { 43426, 10, -4 },
              { 23334, 10, -4 },
              { 28676, 10, -4 },
              { 53214, 10, -4 },
              { 51843, 10, -4 },
              { 43182, 10, -4 }
            },
            y {
              { -5455, 10, -4 },
              { -18461, 10, -4 },
              { -22121, 10, -4 },
              { -4801, 10, -4 },
              { -25018, 10, -4 },
              { -13157, 10, -4 },
              { -17315, 10, -4 },
              { 4327, 10, -4 },
              { -3376, 10, -4 },
              { -7534, 10, -4 },
              { 1539, 10, -4 },
              { 16928, 10, -4 },
              { 7417, 10, -4 },
              { -8461, 10, -4 },
              { 7417, 10, -4 },
              { 16928, 10, -4 },
              { -13461, 10, -4 },
              { 25018, 10, -4 },
              { -15236, 10, -4 },
              { -14287, 10, -4 },
              { -7384, 10, -4 },
              { 5501, 10, -4 },
              { 21943, 10, -4 },
              { 21373, 10, -4 },
              { 30034, 10, -4 },
              { 28662, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                11,
                11,
                12,
                12,
                15
              },
              aid2 {
                13,
                15,
                13,
                16,
                16
              }
            }
          }
        }
      }
    },
    charge 1,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2012.05.21"
        },
        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 { 414, 10, 0 }
      },
      {
        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 9
      },
      {
        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 3
      },
      {
        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 '00000371806331C04000000000000000000000000001600000000000
00000000000000018000001F04000000000000C102142F90170C1002A0001027647000802D1112
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-methyl-3-(2,2,2-trifluoroethyl)imidazol-1-ium-2-yl]
 trifluoromethanesulfonate"
      },
      {
        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 "trifluoromethanesulfonic acid
 [1-methyl-3-(2,2,2-trifluoroethyl)-2-imidazol-1-iumyl] ester"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[1-methyl-3-(2,2,2-trifluoroethyl)imidazol-1-ium-2-yl]
 trifluoromethanesulfonate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[1-methyl-3-(2,2,2-trifluoroethyl)imidazol-1-ium-2-yl]
 trifluoromethanesulfonate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[1-methyl-3-[2,2,2-tris(fluoranyl)ethyl]imidazol-1-ium-2-y
l] tris(fluoranyl)methanesulfonate"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "trifluoromethanesulfonic acid
 [1-methyl-3-(2,2,2-trifluoroethyl)imidazol-1-ium-2-yl] ester"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C7H7F6N2O3S/c1-14-2-3-15(4-6(8,9)10)5(14)18-19(16
,17)7(11,12)13/h2-3H,4H2,1H3/q+1"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "SAJXQCSUVMUVNP-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Log P",
          name "XLogP3-AA",
          datatype double,
          version "3.0",
          source "sioc-ccbg.ac.cn",
          release "2019.06.18"
        },
        value fval { 23, 10, -1 }
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "313.00815724"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C7H7F6N2O3S+"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "313.20"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C[N+]1=C(N(C=C1)CC(F)(F)F)OS(=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 "C[N+]1=C(N(C=C1)CC(F)(F)F)OS(=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 { 606, 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 "313.00815724"
      }
    },
    count {
      heavy-atom 19,
      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 1,
      tautomers -1
    }
  }
}