{
  "PC_Compounds": [
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      "id": {
        "id": {
          "cid": 638186
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      },
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          4,
          5,
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        "element": [
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          17,
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          6,
          1,
          1
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      },
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          2,
          3,
          3,
          4
        ],
        "aid2": [
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          4,
          5,
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        "order": [
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          2,
          1,
          1
        ]
      },
      "stereo": [
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          "planar": {
            "left": 3,
            "ltop": 2,
            "lbottom": 5,
            "right": 4,
            "rtop": 6,
            "rbottom": 1,
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        }
      ],
      "coords": [
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          "type": [
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          ],
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            2,
            3,
            4,
            5,
            6
          ],
          "conformers": [
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              "x": [
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                2,
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                2.866,
                3.732
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              "y": [
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                0.25,
                -0.25,
                0.25,
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                0.87
              ]
            }
          ]
        }
      ],
      "charge": 0,
      "props": [
        {
          "urn": {
            "label": "Compound",
            "name": "Canonicalized",
            "datatype": 5,
            "release": "2011.04.04"
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          "value": {
            "ival": 1
          }
        },
        {
          "urn": {
            "label": "Compound Complexity",
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            "implementation": "E_COMPLEXITY",
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          "value": {
            "fval": 19.2
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        },
        {
          "urn": {
            "label": "Count",
            "name": "Hydrogen Bond Acceptor",
            "datatype": 5,
            "implementation": "E_NHACCEPTORS",
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          "value": {
            "ival": 0
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        },
        {
          "urn": {
            "label": "Count",
            "name": "Hydrogen Bond Donor",
            "datatype": 5,
            "implementation": "E_NHDONORS",
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            "software": "Cactvs",
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          "value": {
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        },
        {
          "urn": {
            "label": "Count",
            "name": "Rotatable Bond",
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            "software": "Cactvs",
            "source": "xemistry.com",
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          },
          "value": {
            "ival": 0
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        },
        {
          "urn": {
            "label": "Fingerprint",
            "name": "SubStructure Keys",
            "datatype": 16,
            "parameters": "extended 2",
            "implementation": "E_SCREEN",
            "version": "3.444",
            "software": "Cactvs",
            "source": "xemistry.com",
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          "value": {
            "binary": "00000371004000000600000000000000000000000000000000000000000000000000000000000018020000000000038000400000000000008000000200000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000"
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        },
        {
          "urn": {
            "label": "IUPAC Name",
            "name": "Allowed",
            "datatype": 1,
            "version": "2.2.0",
            "software": "LexiChem",
            "source": "openeye.com",
            "release": "2016.09.28"
          },
          "value": {
            "sval": "(E)-1,2-dichloroethylene"
          }
        },
        {
          "urn": {
            "label": "IUPAC Name",
            "name": "CAS-like Style",
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            "software": "LexiChem",
            "source": "openeye.com",
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          "value": {
            "sval": "(E)-1,2-dichloroethene"
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        },
        {
          "urn": {
            "label": "IUPAC Name",
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            "software": "LexiChem",
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            "release": "2016.09.28"
          },
          "value": {
            "sval": "(E)-1,2-dichloroethene"
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        },
        {
          "urn": {
            "label": "IUPAC Name",
            "name": "Systematic",
            "datatype": 1,
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            "software": "LexiChem",
            "source": "openeye.com",
            "release": "2016.09.28"
          },
          "value": {
            "sval": "(E)-1,2-bis(chloranyl)ethene"
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        },
        {
          "urn": {
            "label": "IUPAC Name",
            "name": "Traditional",
            "datatype": 1,
            "version": "2.2.0",
            "software": "LexiChem",
            "source": "openeye.com",
            "release": "2016.09.28"
          },
          "value": {
            "sval": "(E)-1,2-dichloroethylene"
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        },
        {
          "urn": {
            "label": "InChI",
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            "software": "InChI",
            "source": "iupac.org",
            "release": "2016.09.28"
          },
          "value": {
            "sval": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+"
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        },
        {
          "urn": {
            "label": "InChIKey",
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            "software": "InChI",
            "source": "iupac.org",
            "release": "2016.09.28"
          },
          "value": {
            "sval": "KFUSEUYYWQURPO-OWOJBTEDSA-N"
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        },
        {
          "urn": {
            "label": "Log P",
            "name": "XLogP3",
            "datatype": 7,
            "version": "3.0",
            "source": "sioc-ccbg.ac.cn",
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          "value": {
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        },
        {
          "urn": {
            "label": "Mass",
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            "release": "2016.09.28"
          },
          "value": {
            "fval": 95.953
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        },
        {
          "urn": {
            "label": "Molecular Formula",
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            "software": "PubChem",
            "source": "ncbi.nlm.nih.gov",
            "release": "2016.09.28"
          },
          "value": {
            "sval": "C2H2Cl2"
          }
        },
        {
          "urn": {
            "label": "Molecular Weight",
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            "version": "2.1",
            "software": "PubChem",
            "source": "ncbi.nlm.nih.gov",
            "release": "2016.09.28"
          },
          "value": {
            "fval": 96.938
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        },
        {
          "urn": {
            "label": "SMILES",
            "name": "Canonical",
            "datatype": 1,
            "version": "1.9.0",
            "software": "OEChem",
            "source": "openeye.com",
            "release": "2016.09.28"
          },
          "value": {
            "sval": "C(=CCl)Cl"
          }
        },
        {
          "urn": {
            "label": "SMILES",
            "name": "Isomeric",
            "datatype": 1,
            "version": "1.9.0",
            "software": "OEChem",
            "source": "openeye.com",
            "release": "2016.09.28"
          },
          "value": {
            "sval": "C(=C/Cl)\\Cl"
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        },
        {
          "urn": {
            "label": "Topological",
            "name": "Polar Surface Area",
            "datatype": 7,
            "implementation": "E_TPSA",
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            "software": "Cactvs",
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          "value": {
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        },
        {
          "urn": {
            "label": "Weight",
            "name": "MonoIsotopic",
            "datatype": 7,
            "version": "2.1",
            "software": "PubChem",
            "source": "ncbi.nlm.nih.gov",
            "release": "2016.09.28"
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          "value": {
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        }
      ],
      "count": {
        "heavy_atom": 4,
        "atom_chiral": 0,
        "atom_chiral_def": 0,
        "atom_chiral_undef": 0,
        "bond_chiral": 1,
        "bond_chiral_def": 1,
        "bond_chiral_undef": 0,
        "isotope_atom": 0,
        "covalent_unit": 1,
        "tautomers": 1
      }
    }
  ]
}
