PC-Compounds ::= {
  {
    id {
      id cid 22626692
    },
    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
      },
      element {
        o,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        2,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        8,
        8,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        14,
        14,
        15,
        15,
        16,
        17,
        17,
        18,
        18,
        19,
        20,
        21,
        21,
        22,
        22,
        23,
        23,
        24
      },
      aid2 {
        16,
        6,
        7,
        8,
        7,
        9,
        9,
        30,
        31,
        19,
        23,
        9,
        10,
        12,
        11,
        25,
        14,
        15,
        13,
        16,
        13,
        26,
        27,
        17,
        28,
        18,
        29,
        19,
        20,
        32,
        20,
        33,
        21,
        34,
        22,
        35,
        24,
        36,
        24,
        37,
        38
      },
      order {
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        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
        },
        conformers {
          {
            x {
              { 45981, 10, -4 },
              { 71962, 10, -4 },
              { 81424, 10, -4 },
              { 9726, 10, -3 },
              { 3732, 10, -3 },
              { 81424, 10, -4 },
              { 71962, 10, -4 },
              { 63301, 10, -4 },
              { 8726, 10, -3 },
              { 8453, 10, -3 },
              { 54641, 10, -4 },
              { 63301, 10, -4 },
              { 54641, 10, -4 },
              { 77852, 10, -4 },
              { 94315, 10, -4 },
              { 45981, 10, -4 },
              { 80958, 10, -4 },
              { 97422, 10, -4 },
              { 3732, 10, -3 },
              { 90744, 10, -4 },
              { 2866, 10, -3 },
              { 2, 10, 0 },
              { 2866, 10, -3 },
              { 2, 10, 0 },
              { 63301, 10, -4 },
              { 63301, 10, -4 },
              { 49272, 10, -4 },
              { 71785, 10, -4 },
              { 98456, 10, -4 },
              { 10036, 10, -3 },
              { 10036, 10, -3 },
              { 76818, 10, -4 },
              { 103489, 10, -4 },
              { 9267, 10, -3 },
              { 2866, 10, -3 },
              { 14631, 10, -4 },
              { 2866, 10, -3 },
              { 14631, 10, -4 }
            },
            y {
              { 6719, 10, -4 },
              { -8281, 10, -4 },
              { -21329, 10, -4 },
              { -13282, 10, -4 },
              { -18282, 10, -4 },
              { -5234, 10, -4 },
              { -18282, 10, -4 },
              { -3281, 10, -4 },
              { -13282, 10, -4 },
              { 4271, 10, -4 },
              { -8281, 10, -4 },
              { -23282, 10, -4 },
              { -18282, 10, -4 },
              { 11714, 10, -4 },
              { 6333, 10, -4 },
              { -3281, 10, -4 },
              { 21219, 10, -4 },
              { 15838, 10, -4 },
              { -8281, 10, -4 },
              { 23282, 10, -4 },
              { -3281, 10, -4 },
              { -8281, 10, -4 },
              { -23282, 10, -4 },
              { -18282, 10, -4 },
              { 2919, 10, -4 },
              { -29482, 10, -4 },
              { -21382, 10, -4 },
              { 10436, 10, -4 },
              { 1719, 10, -4 },
              { -18651, 10, -4 },
              { -7912, 10, -4 },
              { 25834, 10, -4 },
              { 17117, 10, -4 },
              { 29175, 10, -4 },
              { 2919, 10, -4 },
              { -5181, 10, -4 },
              { -29482, 10, -4 },
              { -21382, 10, -4 }
            },
            style {
              annotation {
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                2,
                2,
                2,
                3,
                3,
                5,
                5,
                6,
                7,
                8,
                10,
                10,
                11,
                12,
                14,
                15,
                17,
                18,
                19,
                21,
                22,
                23
              },
              aid2 {
                6,
                7,
                8,
                7,
                9,
                19,
                23,
                9,
                12,
                11,
                14,
                15,
                13,
                13,
                17,
                18,
                20,
                20,
                21,
                22,
                24,
                24
              }
            }
          }
        }
      }
    },
    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 { 451, 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 4
      },
      {
        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 1
      },
      {
        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 3
      },
      {
        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 '00000371C07BA0000000000000000000000000000001600000003C58
8000000000005801FC00001E00100000000C0CC19F043DB09F4C1800A803B677640082802D3712
A009D821B874D88868FAC09DB1942188688002C8C9E71889C00E00000000000000000000000000
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 "(2-amino-3-phenyl-imidazo[1,2-a]pyridin-6-yl)-(2-pyridyl)m
ethanone"
      },
      {
        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 "(2-amino-3-phenyl-6-imidazo[1,2-a]pyridinyl)-(2-pyridinyl)
methanone"
      },
      {
        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 "(2-amino-3-phenylimidazo[1,2-a]pyridin-6-yl)-pyridin-2-ylm
ethanone"
      },
      {
        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 "(2-amino-3-phenylimidazo[1,2-a]pyridin-6-yl)-pyridin-2-ylm
ethanone"
      },
      {
        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 "(2-azanyl-3-phenyl-imidazo[1,2-a]pyridin-6-yl)-pyridin-2-y
l-methanone"
      },
      {
        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 "(2-amino-3-phenyl-imidazo[1,2-a]pyridin-6-yl)-(2-pyridyl)m
ethanone"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "InChI=1S/C19H14N4O/c20-19-17(13-6-2-1-3-7-13)23-12-14(9-10
-16(23)22-19)18(24)15-8-4-5-11-21-15/h1-12H,20H2"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "PRBMSNSNVGOHGH-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Log P",
          name "XLogP3-AA",
          datatype double,
          version "3.0",
          source "sioc-ccbg.ac.cn",
          release "2021.10.14"
        },
        value fval { 37, 10, -1 }
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "314.11676108"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "C19H14N4O"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "314.3"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "C1=CC=C(C=C1)C2=C(N=C3N2C=C(C=C3)C(=O)C4=CC=CC=N4)N"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "C1=CC=C(C=C1)C2=C(N=C3N2C=C(C=C3)C(=O)C4=CC=CC=N4)N"
      },
      {
        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 { 733, 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 "314.11676108"
      }
    },
    count {
      heavy-atom 24,
      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
    }
  }
}