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          "molfile": "\n  Marvin  01132110032D          \n\n 45 49  0  0  0  0            999 V2000\n    7.8747   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8747   -1.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1697   -2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4497   -1.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7448   -2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0248   -1.9349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3199   -2.3549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6149   -1.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6149   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8949   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1899   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1899   -1.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8949   -2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4700   -0.7199    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7650   -0.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.8899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0649   -1.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7448   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0248   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4497   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1697   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8747   -3.5848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5947   -3.1799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2997   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0196   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0196   -2.3549    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.7246   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4296   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1496   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1496   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8545   -4.8148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5745   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2795   -4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9995   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9995   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2795   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5745   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4296   -4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7246   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0196   -4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2997   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5947   -4.8148    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8747   -5.2348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1747   -4.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9997   -5.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  3  4  1  0  0  0  0\n 21  3  2  0  0  0  0\n  4  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  5 18  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 13  2  0  0  0  0\n  9 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 14  1  0  0  0  0\n 12 13  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  2  0  0  0  0\n 14 17  2  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  2  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  2  0  0  0  0\n 24 23  1  0  0  0  0\n 25 24  1  0  0  0  0\n 24 41  2  0  0  0  0\n 25 26  1  0  0  0  0\n 27 25  2  0  0  0  0\n 27 28  1  0  0  0  0\n 39 27  1  0  0  0  0\n 28 29  2  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 30 38  2  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 32 37  2  0  0  0  0\n 33 34  2  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  2  0  0  0  0\n 36 37  1  0  0  0  0\n 39 38  1  0  0  0  0\n 39 40  2  0  0  0  0\n 41 40  1  0  0  0  0\n 41 42  1  0  0  0  0\n 42 43  1  0  0  0  0\n 42 44  2  0  0  0  0\n 42 45  2  0  0  0  0\nM  CHG  2  15  -1  26  -1\nM  END",
          "smiles": "Cc1cc(c(cc1/N=N/c2ccc(cc2)S(=O)(=O)[O-])OC)/N=N/c3c(cc4cc(ccc4c3[O-])Nc5ccccc5)S(=O)(=O)O",
          "formula": "C30H23N5O8S2",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "8feefb4c-8958-4d1f-a829-2a98b6e97e48"
          },
          "defined_stereo": 0,
          "ez_centers": 2,
          "molecular_weight": "645.6656",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "e63a6792-75fd-4224-98c5-b383749b0adc",
      "version": "3",
      "structure": {
        "id": "aa6c4343-e0a5-41e7-9481-827f60c07a7e",
        "molfile": "\n  Marvin  01132108512D          \n\n 47 49  0  0  0  0            999 V2000\n   10.7246   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7246   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0196   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2997   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5947   -3.1799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8747   -3.5848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1697   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1697   -2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4497   -1.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7448   -2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0248   -1.9349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3199   -2.3549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6149   -1.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6149   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8949   -0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1899   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4700   -0.7199    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0649   -1.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7650   -0.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.1899   -1.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8949   -2.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7448   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4497   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0248   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8747   -1.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8747   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2997   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0196   -4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5947   -4.8148    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1747   -4.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9997   -5.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8747   -5.2348    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.0196   -2.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4296   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1496   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1496   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4296   -4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8545   -4.8148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5745   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2795   -4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9995   -4.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9995   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2795   -3.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5745   -3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.2550    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    6.9748   -5.3248    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1 29  1  0  0  0  0\n  1 38  2  0  0  0  0\n  2  3  1  0  0  0  0\n  2 35  2  0  0  0  0\n  3  4  2  0  0  0  0\n  3 34  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4 28  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7 24  2  0  0  0  0\n  8  9  2  0  0  0  0\n  8 26  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 10 23  2  0  0  0  0\n 11 12  2  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 22  2  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 16 21  2  0  0  0  0\n 17 18  2  0  0  0  0\n 17 19  2  0  0  0  0\n 17 20  1  0  0  0  0\n 21 22  1  0  0  0  0\n 23 24  1  0  0  0  0\n 23 25  1  0  0  0  0\n 26 27  1  0  0  0  0\n 28 29  2  0  0  0  0\n 28 30  1  0  0  0  0\n 30 31  2  0  0  0  0\n 30 32  2  0  0  0  0\n 30 33  1  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  2  0  0  0  0\n 37 38  1  0  0  0  0\n 37 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  1  0  0  0  0\n 40 45  2  0  0  0  0\n 41 42  2  0  0  0  0\n 42 43  1  0  0  0  0\n 43 44  2  0  0  0  0\n 44 45  1  0  0  0  0\nM  CHG  4  20  -1  33  -1  46   1  47   1\nM  END",
        "smiles": "Cc1cc(c(cc1/N=N/c2ccc(cc2)S(=O)(=O)[O-])OC)/N=N/c3c(cc4cc(ccc4c3O)Nc5ccccc5)S(=O)(=O)[O-].[Na+].[Na+]",
        "formula": "C30H23N5O8S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "691.6452",
        "optical_activity": "NONE",
        "references": [
          "44d1c5f1-94f7-4fdb-b96a-50a8e2d785fb",
          "4e1fdafb-e72f-43c3-b750-e693ac0a3266"
        ],
        "stereo_centers": 0
      },
      "unii": "1PW59JQ3LX"
    }
  ]
}