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        "molfile": "\n  Marvin  01132109072D          \n\n 38 40  0  0  0  0            999 V2000\n   10.4957   -4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4957   -4.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7813   -3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7813   -2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4957   -2.4436    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.0668   -2.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3523   -2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3523   -3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0668   -4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0668   -4.9186    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.6379   -2.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9234   -2.8551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6553   -3.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1281   -4.3023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8241   -3.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5866   -2.8551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2684   -2.3514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1097   -4.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3952   -3.6268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1097   -4.8653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2101   -3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2101   -2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9266   -2.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6390   -2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6390   -3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9266   -4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3535   -2.4436    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.9450   -8.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6595   -7.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9450   -8.9556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2306   -7.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5161   -8.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8016   -7.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0872   -8.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8016   -6.8920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5161   -6.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2306   -6.8920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5161   -5.6556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  8  7  1  0  0  0  0\n  3  9  1  0  0  0  0\n  9  8  2  0  0  0  0\n  9 10  1  0  0  0  0\n  7 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 12 17  1  0  0  0  0\n 17 16  2  0  0  0  0\n 15 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  2  0  0  0  0\n  1 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 25 24  1  0  0  0  0\n 21 26  1  0  0  0  0\n 26 25  2  0  0  0  0\n 24 27  1  0  0  0  0\n 28 29  1  0  0  0  0\n 28 30  2  0  0  0  0\n 28 31  1  0  0  0  0\n 31 32  2  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  2  0  0  0  0\n 33 35  1  0  0  0  0\n 36 35  1  0  0  0  0\n 31 37  1  0  0  0  0\n 37 36  1  0  0  0  0\n 36 38  2  0  0  0  0\nM  END",
        "smiles": "c1cc(ccc1C(=O)c2c(cc(cc2Cl)Cn3c(c(C(=O)N)nn3)N)Cl)Cl.c1c(C(=O)O)[nH]c(=O)[nH]c1=O",
        "formula": "C17H12Cl3N5O2.C5H4N2O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "580.7654",
        "optical_activity": "NONE",
        "references": [
          "96935021-1671-4f60-b01c-fa0dec745bce",
          "47e2a5bd-5138-46a6-bed7-a71807c12ecc"
        ],
        "stereo_centers": 0
      },
      "unii": "776C212QQH"
    }
  ]
}