PC-Compounds ::= {
  {
    id {
      id cid 67311556
    },
    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
      },
      element {
        o,
        n,
        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,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        9,
        9,
        9,
        10,
        11,
        12,
        12,
        13,
        13,
        14,
        15,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        21,
        21,
        22,
        22,
        23,
        23,
        24,
        25
      },
      aid2 {
        20,
        8,
        10,
        15,
        14,
        15,
        11,
        16,
        10,
        24,
        20,
        39,
        40,
        8,
        9,
        11,
        13,
        12,
        26,
        27,
        14,
        20,
        17,
        18,
        16,
        28,
        19,
        29,
        30,
        21,
        31,
        22,
        32,
        23,
        33,
        25,
        34,
        25,
        35,
        24,
        36,
        37,
        38
      },
      order {
        double,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        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
        },
        conformers {
          {
            x {
              { 79244, 10, -4 },
              { 46783, 10, -4 },
              { 46783, 10, -4 },
              { 56103, 10, -4 },
              { 2866, 10, -3 },
              { 75673, 10, -4 },
              { 59674, 10, -4 },
              { 49889, 10, -4 },
              { 66353, 10, -4 },
              { 3732, 10, -3 },
              { 62781, 10, -4 },
              { 68415, 10, -4 },
              { 43211, 10, -4 },
              { 3732, 10, -3 },
              { 52619, 10, -4 },
              { 46318, 10, -4 },
              { 7792, 10, -3 },
              { 60972, 10, -4 },
              { 2866, 10, -3 },
              { 72566, 10, -4 },
              { 79982, 10, -4 },
              { 63034, 10, -4 },
              { 2, 10, 0 },
              { 2, 10, 0 },
              { 72539, 10, -4 },
              { 69273, 10, -4 },
              { 60824, 10, -4 },
              { 37144, 10, -4 },
              { 58819, 10, -4 },
              { 42177, 10, -4 },
              { 82535, 10, -4 },
              { 55079, 10, -4 },
              { 2866, 10, -3 },
              { 85876, 10, -4 },
              { 5842, 10, -3 },
              { 14631, 10, -4 },
              { 14631, 10, -4 },
              { 73818, 10, -4 },
              { 81739, 10, -4 },
              { 71532, 10, -4 }
            },
            y {
              { -968, 10, -3 },
              { 6012, 10, -4 },
              { 22107, 10, -4 },
              { -22504, 10, -4 },
              { 4059, 10, -4 },
              { -26628, 10, -4 },
              { -5555, 10, -4 },
              { -3493, 10, -4 },
              { 1888, 10, -4 },
              { 9059, 10, -4 },
              { -15061, 10, -4 },
              { 11673, 10, -4 },
              { -10936, 10, -4 },
              { 19059, 10, -4 },
              { 14059, 10, -4 },
              { -20442, 10, -4 },
              { 14779, 10, -4 },
              { 18351, 10, -4 },
              { 24059, 10, -4 },
              { -17123, 10, -4 },
              { 24564, 10, -4 },
              { 28136, 10, -4 },
              { 19059, 10, -4 },
              { 9059, 10, -4 },
              { 31243, 10, -4 },
              { -3582, 10, -4 },
              { 4693, 10, -4 },
              { -9658, 10, -4 },
              { 14059, 10, -4 },
              { -25056, 10, -4 },
              { 10639, 10, -4 },
              { 16425, 10, -4 },
              { 30259, 10, -4 },
              { 2649, 10, -3 },
              { 32277, 10, -4 },
              { 22159, 10, -4 },
              { 5959, 10, -4 },
              { 3731, 10, -3 },
              { -27907, 10, -4 },
              { -31243, 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,
                3,
                3,
                4,
                4,
                5,
                5,
                7,
                7,
                8,
                10,
                12,
                12,
                13,
                14,
                17,
                18,
                19,
                21,
                22,
                23
              },
              aid2 {
                10,
                15,
                14,
                15,
                11,
                16,
                10,
                24,
                8,
                11,
                13,
                14,
                17,
                18,
                16,
                19,
                21,
                22,
                23,
                25,
                25,
                24
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2021.05.07"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value fval { 467, 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 "2021.05.07"
        },
        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 "2021.05.07"
        },
        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 "2021.05.07"
        },
        value ival 4
      },
      {
        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 "2021.05.07"
        },
        value binary '00000371C07BA0000000000000000000000000000001600000003C58
8000000000005801FE00001E00100000000C08C19F043DF0BF4C1000A8033777740082802D3712
A009D821B874D88868F2C0DDF1942508688002C8C9271C88C08E00000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "3-benzyl-4-imidazo[4,5-b]pyridin-3-yl-pyridine-2-carboxami
de"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "4-(3-imidazo[4,5-b]pyridinyl)-3-(phenylmethyl)-2-pyridinec
arboxamide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "3-benzyl-4-imidazo[4,5-b]pyridin-3-ylpyridine-2-carboxamide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "4-imidazo[4,5-b]pyridin-3-yl-3-(phenylmethyl)pyridine-2-ca
rboxamide"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "3-benzyl-4-imidazo[4,5-b]pyridin-3-yl-picolinamide"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "InChI=1S/C19H15N5O/c20-18(25)17-14(11-13-5-2-1-3-6-13)16(8
-10-21-17)24-12-23-15-7-4-9-22-19(15)24/h1-10,12H,11H2,(H2,20,25)"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "DPFRYFPQQBWISM-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Log P",
          name "XLogP3-AA",
          datatype double,
          version "3.0",
          source "sioc-ccbg.ac.cn",
          release "2021.05.07"
        },
        value fval { 24, 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 "329.12766012"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "C19H15N5O"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "329.4"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "C1=CC=C(C=C1)CC2=C(C=CN=C2C(=O)N)N3C=NC4=C3N=CC=C4"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "C1=CC=C(C=C1)CC2=C(C=CN=C2C(=O)N)N3C=NC4=C3N=CC=C4"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value fval { 867, 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 "329.12766012"
      }
    },
    count {
      heavy-atom 25,
      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
    }
  }
}