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      "structure": {
        "id": "940b7a17-b577-415c-b438-652b3f487a80",
        "molfile": "\n  Marvin  01132107412D          \n\n 30 29  0  0  0  0            999 V2000\n   10.6589   -3.2931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    6.9991   -1.2788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2849   -1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2849   -2.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5707   -2.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8566   -2.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1424   -2.9288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8566   -1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5707   -1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5707   -0.4538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7179   -1.6891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4321   -1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1461   -1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8604   -1.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8604   -0.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1461   -0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4321   -0.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0040   -6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0179   -7.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0040   -5.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2898   -4.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7181   -4.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2898   -6.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5756   -6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5756   -5.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8615   -6.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7181   -6.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4323   -6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4323   -5.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1510   -6.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 16 15  2  0  0  0  0\n 17 16  1  0  0  0  0\n 12 17  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  8  6  2  0  0  0  0\n  9  8  1  0  0  0  0\n  3  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n  2 11  2  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 20 22  1  0  0  0  0\n 18 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 26  1  0  0  0  0\n 18 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  2  0  0  0  0\n 28 30  1  0  0  0  0\nM  END",
        "smiles": "c1ccc(cc1)/N=N/c2ccc(cc2N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.Cl",
        "formula": "C12H12N4.C6H8O7.ClH",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "440.8356",
        "optical_activity": "NONE",
        "references": [
          "a99234d9-564e-4363-b6dc-f193f14c9250",
          "03d12a4d-77b4-400e-935d-c5d816737a4c"
        ],
        "stereo_centers": 0
      },
      "unii": "R4K761U05S"
    }
  ]
}