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        "molfile": "\n  Marvin  01132109472D          \n\n 30 31  0  0  0  0            999 V2000\n   -2.6996   -4.0143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9935   -3.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4135   -2.7699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4135   -3.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9935   -2.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6996   -2.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2015   -3.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2015   -2.5163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7217   -3.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1274   -4.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6996   -1.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6996   -4.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1274   -2.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4161   -3.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0832   -3.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7503   -3.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4174   -3.2731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6996   -4.0143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9935   -3.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4135   -2.7699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4135   -3.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9935   -2.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6996   -2.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2015   -3.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2015   -2.5163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7217   -3.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1274   -4.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6996   -1.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6996   -4.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1274   -2.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  2  2  0  0  0  0\n  6  3  1  0  0  0  0\n  7  2  1  0  0  0  0\n  8  5  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10  4  2  0  0  0  0\n 11  6  2  0  0  0  0\n 12  1  1  0  0  0  0\n 13  3  1  0  0  0  0\n  6  5  1  0  0  0  0\n  9  8  2  0  0  0  0\n 19 18  1  0  0  0  0\n 21 18  1  0  0  0  0\n 29 18  1  0  0  0  0\n 22 19  2  0  0  0  0\n 24 19  1  0  0  0  0\n 20 21  1  0  0  0  0\n 23 20  1  0  0  0  0\n 30 20  1  0  0  0  0\n 27 21  2  0  0  0  0\n 25 22  1  0  0  0  0\n 23 22  1  0  0  0  0\n 28 23  2  0  0  0  0\n 26 24  1  0  0  0  0\n 26 25  2  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  18  19\nM  SAL   1 11  20  21  22  23  24  25  26  27  28  29  30\nM  SPA   1 13   1   2   3   4   5   6   7   8   9  10  11  12  13\nM  SDI   1  4   -4.5474   -5.2614   -4.5474   -1.1054\nM  SDI   1  4   -0.3017   -1.1054   -0.3017   -5.2614\nM  SMT   1 2\nM  END",
        "smiles": "Cn1c2c(c(=O)n(C)c1=O)nc[nH]2.Cn1c2c(c(=O)n(C)c1=O)nc[nH]2.C(CN)N",
        "formula": "2C7H8N4O2.C2H8N2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "420.427",
        "optical_activity": "NONE",
        "references": [
          "395f929f-8cef-4435-8f3f-60ab2e32c161",
          "4d725b68-76a3-4b41-a23c-45e4ee41d132",
          "17465e4a-97a8-4111-9ccb-6cca9f59b6a1"
        ],
        "stereo_centers": 0
      },
      "unii": "27Y3KJK423"
    }
  ]
}