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        "molfile": "\n  Marvin  01132113012D          \n\n 29 28  0  0  0  0            999 V2000\n   -3.7931   -4.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7942   -5.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0794   -5.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0812   -3.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3658   -4.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3651   -5.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6498   -5.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9347   -5.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9395   -4.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6554   -3.9196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0833   -3.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3708   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6583   -3.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9458   -2.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2333   -3.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4792   -2.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3750   -1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5125   -5.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2291   -5.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0958   -4.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9208   -4.0334    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9166   -3.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9166   -4.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7458   -4.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0958   -4.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9208   -4.0334    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9166   -3.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9166   -4.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7458   -4.0334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  8  9  1  0  0  0  0\n  5  4  2  0  0  0  0\n  9 10  2  0  0  0  0\n 10  5  1  0  0  0  0\n  4  1  1  0  0  0  0\n  4 11  1  0  0  0  0\n  1  2  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n  5  6  1  0  0  0  0\n 13 14  1  0  0  0  0\n  2  3  1  0  0  0  0\n 14 15  1  0  0  0  0\n  6  7  1  0  0  0  0\n 15 16  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 21 23  1  0  0  0  0\n 21 24  1  0  0  0  0\n  3  6  2  0  0  0  0\n 12 17  1  0  0  0  0\n  7  8  2  0  0  0  0\n  2 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  2  0  0  0  0\n 26 28  1  0  0  0  0\n 26 29  1  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 10  20  21  22  23  24  25  26  27  28  29\nM  SPA   1  5  20  21  22  23  24\nM  SDI   1  4    2.6758   -5.2784    2.6758   -2.7884\nM  SDI   1  4    5.1658   -2.7884    5.1658   -5.2784\nM  SMT   1 2\nM  END",
        "smiles": "CC(CCCN)Nc1cc(cc2cccnc21)OC.OP(=O)(O)O.OP(=O)(O)O",
        "formula": "C15H21N3O.2H3O4P",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "455.3377",
        "optical_activity": "( + / - )",
        "references": [
          "18654790-5d8e-46af-9f7b-65617402f5c0",
          "9ad54830-db37-4290-a7df-488a920ca123"
        ],
        "stereo_centers": 1
      },
      "unii": "H0982HF78B"
    }
  ]
}