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          "citation": "STN",
          "doc_type": "STN (SCIFINDER)",
          "public_domain": true,
          "tags": [
            "NOMEN",
            "PUBLIC_DOMAIN_RELEASE"
          ]
        },
        {
          "uuid": "c4ecb9e1-764e-4cea-b090-7bc0b83eec71",
          "citation": "STN",
          "doc_type": "STN (SCIFINDER)",
          "public_domain": true
        }
      ],
      "definition_type": "PRIMARY",
      "moieties": [
        {
          "uuid": "aca43434-1599-473a-a957-2d68584d5ad4",
          "id": "aca43434-1599-473a-a957-2d68584d5ad4",
          "molfile": "\n  Marvin  01132108572D          \n\n  1  0  0  0  0  0            999 V2000\n    3.5838   -2.0011    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   1\nM  END",
          "smiles": "[Na+]",
          "formula": "Na",
          "atropisomerism": "No",
          "charge": 1,
          "count": 2,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 2,
            "units": "MOL RATIO",
            "uuid": "51ac135e-6634-482a-b202-39bf7fd23216"
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          "molecular_weight": "22.9898",
          "optical_activity": "NONE",
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          "molfile": "\n  Marvin  01132104002D          \n\n 46 51  0  0  0  0            999 V2000\n   -0.4515   -2.3107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8677   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4593   -0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8699   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6942   -0.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1051   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9296   -0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3404   -1.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9208   -2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0977   -2.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6906   -1.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1122    0.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9372    0.5500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.1152    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3984    0.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3657   -0.8835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7811   -0.1697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6074   -0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0221    0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8483    0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2579   -0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8468   -0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0176   -0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0813   -0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4927    0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3185    0.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7365   -0.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3214   -0.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4942   -0.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5591   -0.1755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9744   -0.8894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7994   -0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2079   -0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0307   -0.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4477   -0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2667   -0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6777   -1.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2649   -2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4417   -2.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0329   -1.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2101   -1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7964   -2.3233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4378    0.5441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2628    0.5471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.4348    1.3691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7210    0.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  1  0  0  0  0\n 11  2  2  0  0  0  0\n  3  4  2  0  0  0  0\n 16  3  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5 12  1  0  0  0  0\n  6  7  1  0  0  0  0\n 11  6  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 14  2  0  0  0  0\n 12 15  2  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 18 23  2  0  0  0  0\n 20 19  2  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  2  0  0  0  0\n 21 24  1  0  0  0  0\n 23 22  1  0  0  0  0\n 25 24  1  0  0  0  0\n 24 29  2  0  0  0  0\n 26 25  2  0  0  0  0\n 27 26  1  0  0  0  0\n 28 27  2  0  0  0  0\n 27 30  1  0  0  0  0\n 29 28  1  0  0  0  0\n 30 31  2  0  0  0  0\n 31 32  1  0  0  0  0\n 33 32  1  0  0  0  0\n 32 41  2  0  0  0  0\n 34 33  2  0  0  0  0\n 35 34  1  0  0  0  0\n 34 43  1  0  0  0  0\n 36 35  1  0  0  0  0\n 35 40  2  0  0  0  0\n 37 36  2  0  0  0  0\n 38 37  1  0  0  0  0\n 39 38  2  0  0  0  0\n 40 39  1  0  0  0  0\n 41 40  1  0  0  0  0\n 41 42  1  0  0  0  0\n 43 44  1  0  0  0  0\n 43 45  2  0  0  0  0\n 43 46  2  0  0  0  0\nM  CHG  2  13  -1  44  -1\nM  END",
          "smiles": "c1ccc2c(c1)c(cc(c2N)/N=N/c3ccc(cc3)-c4ccc(cc4)/N=N/c5cc(c6ccccc6c5N)S(=O)(=O)[O-])S(=O)(=O)[O-]",
          "formula": "C32H22N6O6S2",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
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            "average": 1,
            "units": "MOL RATIO",
            "uuid": "217585d1-3bc7-4465-8f4b-4b5240dca02e"
          },
          "defined_stereo": 0,
          "ez_centers": 2,
          "molecular_weight": "650.6871",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "7a45128c-d0c5-465a-98b7-7fe1bc236609",
      "version": "14",
      "structure": {
        "id": "fbfacdaa-0b7a-43a6-9e94-bbec500c8180",
        "molfile": "\n  Marvin  01132113032D          \n\n 48 51  0  0  0  0            999 V2000\n    2.8483    0.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0221    0.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6074   -0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0176   -0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8468   -0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2579   -0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0813   -0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4942   -0.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3214   -0.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7365   -0.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3185    0.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4927    0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7811   -0.1697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3657   -0.8835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4593   -0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5591   -0.1755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9744   -0.8894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7994   -0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8699   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6942   -0.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8677   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2101   -1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0307   -0.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2079   -0.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6906   -1.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1051   -0.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9296   -0.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3404   -1.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9208   -2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0977   -2.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4477   -0.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0329   -1.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4417   -2.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2649   -2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6777   -1.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2667   -0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4515   -2.3107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7964   -2.3233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1122    0.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9372    0.5500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.1152    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3984    0.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4378    0.5441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2628    0.5471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.4348    1.3691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7210    0.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5838   -2.0011    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    3.5838   -2.0011    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n 18 22  2  0  0  0  0\n 22 32  1  0  0  0  0\n 10 11  1  0  0  0  0\n 31 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 18  1  0  0  0  0\n 11 12  2  0  0  0  0\n 12  7  1  0  0  0  0\n 25 26  1  0  0  0  0\n  6  7  1  0  0  0  0\n 26 27  1  0  0  0  0\n  5  6  2  0  0  0  0\n 27 28  2  0  0  0  0\n  3 13  1  0  0  0  0\n 28 29  1  0  0  0  0\n  6  1  1  0  0  0  0\n 29 30  2  0  0  0  0\n 30 25  1  0  0  0  0\n 13 14  2  0  0  0  0\n  2  3  1  0  0  0  0\n 31 32  1  0  0  0  0\n 14 15  1  0  0  0  0\n 32 33  2  0  0  0  0\n 33 34  1  0  0  0  0\n 10 16  1  0  0  0  0\n 34 35  2  0  0  0  0\n  7  8  2  0  0  0  0\n 35 36  1  0  0  0  0\n 36 31  2  0  0  0  0\n 16 17  2  0  0  0  0\n 21 37  1  0  0  0  0\n  3  4  2  0  0  0  0\n 22 38  1  0  0  0  0\n 17 18  1  0  0  0  0\n 20 39  1  0  0  0  0\n  8  9  1  0  0  0  0\n 39 40  1  0  0  0  0\n 15 19  2  0  0  0  0\n 39 41  2  0  0  0  0\n  1  2  2  0  0  0  0\n 39 42  2  0  0  0  0\n 19 20  1  0  0  0  0\n 23 43  1  0  0  0  0\n 20 26  2  0  0  0  0\n 43 44  1  0  0  0  0\n  9 10  2  0  0  0  0\n 43 45  2  0  0  0  0\n 25 21  2  0  0  0  0\n 43 46  2  0  0  0  0\n 21 15  1  0  0  0  0\n  4  5  1  0  0  0  0\nM  CHG  4  40  -1  44  -1  47   1  48   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  47  48\nM  SPA   1  1  47\nM  SDI   1  4    3.1638   -2.4211    3.1638   -1.5811\nM  SDI   1  4    4.0038   -1.5811    4.0038   -2.4211\nM  SMT   1 2\nM  END",
        "smiles": "c1ccc2c(c1)c(cc(c2N)/N=N/c3ccc(cc3)-c4ccc(cc4)/N=N/c5cc(c6ccccc6c5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]",
        "formula": "C32H22N6O6S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "696.6666",
        "optical_activity": "NONE",
        "references": [
          "41299466-7826-4593-bbeb-f08931156222",
          "ce56ce93-7bfb-451b-8f86-e9d7e8a7d63e"
        ],
        "stereo_centers": 0
      },
      "unii": "3U05FHG59S"
    }
  ]
}