PC-Compounds ::= {
  {
    id {
      id cid 50936059
    },
    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,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57,
        58,
        59,
        60,
        61,
        62,
        63
      },
      element {
        cu,
        o,
        o,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        2,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        21,
        22,
        23,
        24,
        24,
        25,
        25,
        26,
        27,
        28,
        28,
        29,
        29,
        30,
        30,
        31,
        31,
        32,
        32,
        33,
        33,
        34,
        34,
        35,
        35,
        36,
        36,
        37,
        37,
        38,
        39
      },
      aid2 {
        20,
        21,
        6,
        12,
        7,
        13,
        28,
        52,
        29,
        53,
        10,
        12,
        14,
        11,
        13,
        15,
        16,
        18,
        17,
        19,
        20,
        21,
        24,
        40,
        25,
        41,
        22,
        42,
        23,
        43,
        26,
        44,
        27,
        45,
        22,
        23,
        46,
        47,
        26,
        48,
        27,
        49,
        50,
        51,
        30,
        32,
        31,
        33,
        34,
        54,
        35,
        55,
        36,
        56,
        37,
        57,
        38,
        58,
        39,
        59,
        38,
        60,
        39,
        61,
        62,
        63
      },
      order {
        double,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      planar {
        left 4,
        ltop -1,
        lbottom 6,
        right 12,
        rtop 8,
        rbottom 20,
        parity any,
        type planar
      },
      planar {
        left 5,
        ltop -1,
        lbottom 7,
        right 13,
        rtop 9,
        rbottom 21,
        parity any,
        type planar
      }
    },
    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,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55,
          56,
          57,
          58,
          59,
          60,
          61,
          62,
          63
        },
        conformers {
          {
            x {
              { 99735, 10, -4 },
              { 5369, 10, -4 },
              { 80275, 10, -4 },
              { 2269, 10, -3 },
              { 97596, 10, -4 },
              { 1403, 10, -3 },
              { 88935, 10, -4 },
              { 3135, 10, -3 },
              { 106256, 10, -4 },
              { 3135, 10, -3 },
              { 106256, 10, -4 },
              { 2269, 10, -3 },
              { 97596, 10, -4 },
              { 4029, 10, -3 },
              { 115195, 10, -4 },
              { 2269, 10, -3 },
              { 97596, 10, -4 },
              { 4029, 10, -3 },
              { 115195, 10, -4 },
              { 1403, 10, -3 },
              { 88935, 10, -4 },
              { 1403, 10, -3 },
              { 88935, 10, -4 },
              { 4935, 10, -3 },
              { 124256, 10, -4 },
              { 4935, 10, -3 },
              { 124256, 10, -4 },
              { 1403, 10, -3 },
              { 88935, 10, -4 },
              { 2269, 10, -3 },
              { 97596, 10, -4 },
              { 5369, 10, -4 },
              { 80275, 10, -4 },
              { 2269, 10, -3 },
              { 97596, 10, -4 },
              { 5369, 10, -4 },
              { 80275, 10, -4 },
              { 1403, 10, -3 },
              { 88935, 10, -4 },
              { 40218, 10, -4 },
              { 115124, 10, -4 },
              { 2269, 10, -3 },
              { 97596, 10, -4 },
              { 40218, 10, -4 },
              { 115124, 10, -4 },
              { 866, 10, -3 },
              { 83566, 10, -4 },
              { 54708, 10, -4 },
              { 129613, 10, -4 },
              { 54708, 10, -4 },
              { 129613, 10, -4 },
              { 866, 10, -3 },
              { 83566, 10, -4 },
              { 28059, 10, -4 },
              { 102965, 10, -4 },
              { 0, 10, 0 },
              { 74906, 10, -4 },
              { 28059, 10, -4 },
              { 102965, 10, -4 },
              { 0, 10, 0 },
              { 74906, 10, -4 },
              { 1403, 10, -3 },
              { 88935, 10, -4 }
            },
            y {
              { 0, 10, 0 },
              { 63824, 10, -4 },
              { 76448, 10, -4 },
              { 53824, 10, -4 },
              { 66448, 10, -4 },
              { 48824, 10, -4 },
              { 61448, 10, -4 },
              { 68824, 10, -4 },
              { 81448, 10, -4 },
              { 78824, 10, -4 },
              { 91448, 10, -4 },
              { 63824, 10, -4 },
              { 76448, 10, -4 },
              { 63477, 10, -4 },
              { 76101, 10, -4 },
              { 83824, 10, -4 },
              { 96448, 10, -4 },
              { 8417, 10, -3 },
              { 96794, 10, -4 },
              { 68824, 10, -4 },
              { 81448, 10, -4 },
              { 78824, 10, -4 },
              { 91448, 10, -4 },
              { 68616, 10, -4 },
              { 8124, 10, -3 },
              { 79032, 10, -4 },
              { 91656, 10, -4 },
              { 38824, 10, -4 },
              { 51448, 10, -4 },
              { 33824, 10, -4 },
              { 46448, 10, -4 },
              { 33824, 10, -4 },
              { 46448, 10, -4 },
              { 23824, 10, -4 },
              { 36448, 10, -4 },
              { 23824, 10, -4 },
              { 36448, 10, -4 },
              { 18824, 10, -4 },
              { 31448, 10, -4 },
              { 57278, 10, -4 },
              { 69902, 10, -4 },
              { 90024, 10, -4 },
              { 102648, 10, -4 },
              { 9037, 10, -3 },
              { 102994, 10, -4 },
              { 81924, 10, -4 },
              { 94548, 10, -4 },
              { 65495, 10, -4 },
              { 78119, 10, -4 },
              { 82153, 10, -4 },
              { 94777, 10, -4 },
              { 51924, 10, -4 },
              { 64548, 10, -4 },
              { 36924, 10, -4 },
              { 49548, 10, -4 },
              { 36924, 10, -4 },
              { 49548, 10, -4 },
              { 20724, 10, -4 },
              { 33348, 10, -4 },
              { 20724, 10, -4 },
              { 33348, 10, -4 },
              { 12624, 10, -4 },
              { 25248, 10, -4 }
            },
            style {
              annotation {
                crossed,
                crossed,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic,
                aromatic
              },
              aid1 {
                4,
                5,
                8,
                8,
                9,
                9,
                10,
                11,
                14,
                15,
                18,
                19,
                24,
                25,
                28,
                28,
                29,
                29,
                30,
                31,
                32,
                33,
                34,
                35,
                36,
                37
              },
              aid2 {
                12,
                13,
                10,
                14,
                11,
                15,
                18,
                19,
                24,
                25,
                26,
                27,
                26,
                27,
                30,
                32,
                31,
                33,
                34,
                35,
                36,
                37,
                38,
                39,
                38,
                39
              }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2011.01.31"
        },
        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 { 394, 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 6
      },
      {
        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 2
      },
      {
        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 '00000371E07FB0000000000400000000000000000000000000003060
C1820000000000815400001E00180000000C0C81980030C080620000A803A47240009204002002
001888012064D80820B280959180200060980008C9871888808E80000000001000000000000000
200000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "copper;1-(phenylhydrazono)naphthalen-2-one"
      },
      {
        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 "copper;1-(phenylhydrazinylidene)-2-naphthalenone"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "copper;1-(phenylhydrazinylidene)naphthalen-2-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "copper;1-(phenylhydrazinylidene)naphthalen-2-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "copper;1-(phenylhydrazinylidene)naphthalen-2-one"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "copper;1-(phenylhydrazono)naphthalen-2-one"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/2C16H12N2O.Cu/c2*19-15-11-10-12-6-4-5-9-14(12)16(
15)18-17-13-7-2-1-3-8-13;/h2*1-11,17H;"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "ZAIPHRIQKYVVIJ-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "559.119523"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C32H24CuN4O2"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "560.1"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32.C1=CC=C(C=C1)NN=C2C
(=O)C=CC3=CC=CC=C32.[Cu]"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32.C1=CC=C(C=C1)NN=C2C
(=O)C=CC3=CC=CC=C32.[Cu]"
      },
      {
        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 { 829, 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 "559.119523"
      }
    },
    count {
      heavy-atom 39,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 2,
      bond-chiral-def 0,
      bond-chiral-undef 2,
      isotope-atom 0,
      covalent-unit 3,
      tautomers -1
    }
  }
}