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      "structure": {
        "id": "5d690213-d145-45e1-8c98-ce0e29002671",
        "molfile": "\n  Marvin  01132104502D          \n\n 22 24  0  0  0  0            999 V2000\n   -0.1176    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9285    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7097    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1176   -0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1176    1.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3370    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3473   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1286    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1162   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6003   -0.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8212   -0.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1622    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9285    1.7702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1622   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9435    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9435   -0.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6003   -1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8212   -1.6918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5708    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3499    0.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1176   -2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1629    0.3342    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  2  6  2  0  0  0  0\n  2  7  1  0  0  0  0\n  3  8  2  0  0  0  0\n  3  9  1  0  0  0  0\n  4 10  2  0  0  0  0\n  4 11  1  0  0  0  0\n  6 12  1  0  0  0  0\n  6 13  1  0  0  0  0\n  7 14  2  0  0  0  0\n  8 15  1  0  0  0  0\n  9 16  2  0  0  0  0\n 10 17  1  0  0  0  0\n 11 18  2  0  0  0  0\n 12 19  2  0  0  0  0\n 15 20  2  0  0  0  0\n 17 21  2  0  0  0  0\n 20 22  1  0  0  0  0\n 14 19  1  0  0  0  0\n 16 20  1  0  0  0  0\n 18 21  1  0  0  0  0\nM  END",
        "smiles": "c1ccc(c(c1)C(c2ccc(cc2)Cl)(c3cncnc3)O)Cl",
        "formula": "C17H12Cl2N2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "331.1965",
        "optical_activity": "( + / - )",
        "references": [
          "b8af53c4-f3bd-4790-9f7b-7214e12ef8ce",
          "41cdd547-7764-49bc-8a7a-9aa71a8d7c67"
        ],
        "stereo_centers": 1
      },
      "unii": "O088GU930Q"
    }
  ]
}