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        "molfile": "\n  Marvin  01132111092D          \n\n 16 17  0  0  0  0            999 V2000\n    0.7193    1.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4351    1.0523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4376    0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7244   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0087    0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0061    1.0479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7168    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1533   -0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7045   -0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7020   -1.0168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3679   -1.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1106   -2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2856   -2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0331   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1533   -1.2512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7269   -1.0124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  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  1  6  1  0  0  0  0\n  1  7  2  0  0  0  0\n  3  8  2  0  0  0  0\n 10 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 10 14  1  0  0  0  0\n 11 15  2  0  0  0  0\n  9 10  1  0  0  0  0\n  5  9  1  0  0  0  0\n  4 16  1  0  0  0  0\nM  END",
        "smiles": "C1CC(=N)N(C1)Cc2c(c(=O)[nH]c(=O)[nH]2)Cl",
        "formula": "C9H11ClN4O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "242.6625",
        "optical_activity": "NONE",
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}