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          "molfile": "\n  Marvin  01132105222D          \n\n  7  6  0  0  0  0            999 V2000\n    7.8239  -12.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9990  -12.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5821  -11.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7572  -11.5348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9323  -11.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7572  -10.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7572  -12.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  4  2  0  0  0  0\n  7  4  2  0  0  0  0\nM  END",
          "smiles": "C(CS(=O)(=O)O)O",
          "formula": "C2H6O4S",
          "atropisomerism": "No",
          "charge": 0,
          "count": 2,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 2,
            "units": "MOL RATIO",
            "uuid": "862e4465-a1f6-42ff-9bdd-51b21f2c2991"
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          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "126.1328",
          "optical_activity": "NONE",
          "stereo_centers": 0
        },
        {
          "uuid": "4aa0ab6f-9760-4401-b303-52e0d5823087",
          "id": "4aa0ab6f-9760-4401-b303-52e0d5823087",
          "molfile": "\n  Marvin  01132103542D          \n\n 26 27  0  0  0  0            999 V2000\n   -8.8566  -13.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.1421  -13.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.1421  -14.7883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.4333  -13.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.4333  -12.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7158  -12.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0013  -12.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2925  -12.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5750  -12.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8605  -12.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1488  -12.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4341  -12.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7196  -12.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0079  -12.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2935  -12.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4182  -12.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1329  -12.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8474  -12.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8474  -11.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1329  -11.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4182  -11.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5562  -11.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2707  -11.4942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5562  -10.2582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0013  -13.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7158  -13.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  2  0  0  0  0\n  4  2  1  0  0  0  0\n  5  4  1  0  0  0  0\n  4 26  2  0  0  0  0\n  5  6  2  0  0  0  0\n  7  6  1  0  0  0  0\n  7  8  1  0  0  0  0\n 25  7  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  1  0  0  0  0\n 13 14  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 16 21  2  0  0  0  0\n 17 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 19 22  1  0  0  0  0\n 20 21  1  0  0  0  0\n 22 23  1  0  0  0  0\n 22 24  2  0  0  0  0\n 26 25  1  0  0  0  0\nM  END",
          "smiles": "C(CCCOc1ccc(cc1)C(=N)N)CCOc2ccc(cc2)C(=N)N",
          "formula": "C20H26N4O2",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "1caa3730-476a-4a5f-8385-b63cde0e980c"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "354.4468",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "21afa077-7c1b-426d-b46b-e2e16b95b854",
      "version": "17",
      "structure": {
        "id": "7a0811ae-d148-4e33-82ae-2fb8335f8212",
        "molfile": "\n  Marvin  01132106202D          \n\n 40 39  0  0  0  0            999 V2000\n    5.7418  -11.5040    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5645  -11.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7418  -10.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7418  -12.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9191  -11.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8030  -12.2162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9803  -12.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.4396  -12.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.4396  -13.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7215  -13.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0064  -13.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.0064  -12.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.7215  -12.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.2970  -12.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5789  -12.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8638  -12.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1515  -12.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4362  -12.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7211  -12.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0088  -12.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2937  -12.7381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4186  -12.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1339  -12.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8490  -12.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8490  -11.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1339  -11.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4186  -11.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.1490  -13.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.8641  -13.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5584  -11.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2735  -11.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5584  -10.2669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.1490  -14.8008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7418  -11.5040    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5645  -11.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7418  -10.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7418  -12.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9191  -11.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8030  -12.2162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9803  -12.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n  8 13  1  0  0  0  0\n 12 14  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 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  2  0  0  0  0\n 22 27  1  0  0  0  0\n  9 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 25 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 30 32  2  0  0  0  0\n 28 33  2  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  2  1  0  0  0  0\n 35 34  1  0  0  0  0\n 36 34  2  0  0  0  0\n 37 34  2  0  0  0  0\n 38 34  1  0  0  0  0\n 40 35  1  0  0  0  0\n 39 40  1  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 14   1   2   3   4   5   6   7  34  35  36  37  38  39  40\nM  SPA   1  7   1   2   3   4   5   6   7\nM  SDI   1  4    4.4991  -12.7467    4.4991  -10.2612\nM  SDI   1  4    8.2230  -10.2612    8.2230  -12.7467\nM  SMT   1 2\nM  END",
        "smiles": "C(CCCOc1ccc(cc1)C(=N)N)CCOc2ccc(cc2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O",
        "formula": "C20H26N4O2.2C2H6O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "606.7124",
        "optical_activity": "NONE",
        "references": [
          "a92dec37-a108-4492-bd9a-b6e791d288ad",
          "68660d4c-7328-49dc-998d-eb188f9bf994"
        ],
        "stereo_centers": 0
      },
      "unii": "023XA5Z50L"
    }
  ]
}