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      "structure": {
        "id": "e18eb0e2-2fdf-4803-b434-1e8190d8eda9",
        "molfile": "\n  Marvin  01132111412D          \n\n 44 48  0  0  0  0            999 V2000\n   12.6000   -4.9614    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    1.9152   -1.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7666   -2.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3966   -2.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2480   -3.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9587   -3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9587   -4.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6724   -5.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3849   -4.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1003   -5.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1003   -6.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8094   -6.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8094   -7.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0860   -7.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3816   -7.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3816   -6.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6069   -6.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5070   -5.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9688   -6.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8175   -4.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5283   -5.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2517   -4.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2517   -4.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9689   -3.5948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6796   -4.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6796   -4.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3887   -5.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1059   -4.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8166   -5.2593    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4033   -4.6816    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.4467   -5.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3405   -5.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1059   -4.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3967   -3.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3967   -2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5362   -3.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8175   -3.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1084   -3.5821    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0\n    4.3849   -3.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6759   -3.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1708   -2.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8008   -3.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3196   -1.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6894   -1.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 16 15  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 17 19  1  0  0  0  0\n 11 16  2  0  0  0  0\n 10 20  2  0  0  0  0\n 20 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  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  2  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 29 31  2  0  0  0  0\n 29 32  2  0  0  0  0\n 28 33  2  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 34 25  2  0  0  0  0\n 23 36  2  0  0  0  0\n 37 36  1  0  0  0  0\n 37 38  2  0  0  0  0\n 39 38  1  0  0  0  0\n  9 39  2  0  0  0  0\n 39 40  1  0  0  0  0\n 40  6  2  0  0  0  0\n 20 37  1  0  0  0  0\n  4 41  1  0  0  0  0\n 41 42  1  0  0  0  0\n 41 43  2  0  0  0  0\n 43 44  1  0  0  0  0\n 44  2  2  0  0  0  0\nM  CHG  3   1   1  30  -1  38   1\nM  END",
        "smiles": "Cc1ccccc1Nc2ccc3c(c2)[o+]c4cc(ccc4c3-c5ccccc5C(=O)O)Nc6ccc(cc6C)S(=O)(=O)[O-].[Na+]",
        "formula": "C34H26N2O6S.Na",
        "atropisomerism": "No",
        "charge": 1,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "613.6372",
        "optical_activity": "NONE",
        "references": [
          "45213579-2fdc-473c-bc1b-b2d6681347ed",
          "886f35fe-6d2d-441b-967a-568e124c1f33"
        ],
        "stereo_centers": 0
      },
      "unii": "824V98947A"
    }
  ]
}