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 0  0  0\n  6 46  1  6  0  0  0\n  7  8  1  0  0  0  0\n  7 30  1  1  0  0  0\n  7 41  1  0  0  0  0\n  8 14  1  0  0  0  0\n  8 31  1  1  0  0  0\n  9 13  1  0  0  0  0\n  9 31  1  0  0  0  0\n  9 32  1  0  0  0  0\n  9 39  1  6  0  0  0\n 10 11  1  0  0  0  0\n 32 10  1  0  0  0  0\n 10 36  1  1  0  0  0\n 12 11  1  0  0  0  0\n 11 33  1  6  0  0  0\n 13 12  1  0  0  0  0\n 12 35  1  1  0  0  0\n 13 34  1  6  0  0  0\n 14 15  1  0  0  0  0\n 14 45  1  6  0  0  0\n 16 15  1  0  0  0  0\n 15 40  1  1  0  0  0\n 41 16  1  0  0  0  0\n 16 42  1  6  0  0  0\n 18 17  1  0  0  0  0\n 51 17  1  0  0  0  0\n 17 54  1  0  0  0  0\n 17 60  1  1  0  0  0\n 22 18  1  0  0  0  0\n 18 52  1  0  0  0  0\n 18 59  1  1  0  0  0\n 52 19  1  0  0  0  0\n 19 53  1  0  0  0  0\n 19 55  1  1  0  0  0\n 19 58  1  6  0  0  0\n 20 21  1  0  0  0  0\n 20 62  2  0  0  0  0\n 21 22  2  0  0  0  0\n 23 24  1  0  0  0  0\n 25 26  1  0  0  0  0\n 27 28  1  0  0  0  0\n 27 29  1  0  0  0  0\n 36 37  1  0  0  0  0\n 36 38  2  0  0  0  0\n 42 43  1  0  0  0  0\n 42 44  2  0  0  0  0\n 50 51  1  0  0  0  0\n 54 53  1  0  0  0  0\n 55 56  1  0  0  0  0\n 55 57  2  0  0  0  0\nM  CHG  3  37  -1  43  -1  56  -1\nM  END",
          "smiles": "CC1(C)[C@]2([H])CC[C@]3(C)[C@]([H])(C(=O)C=C4[C@]5([H])C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)[O-])[C@@]2(C)CC[C@]1([H])O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O6)O)O)O[C@@]7([H])[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O7)O)O)O",
          "formula": "C42H59O16",
          "atropisomerism": "No",
          "charge": -3,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "2f73d59c-f620-4e4e-8c27-97aa64987193"
          },
          "defined_stereo": 19,
          "ez_centers": 0,
          "molecular_weight": "819.9099",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 19
        },
        {
          "uuid": "4ab40da2-2787-47b8-a821-0406df70d60f",
          "id": "4ab40da2-2787-47b8-a821-0406df70d60f",
          "molfile": "\n  Marvin  01132103542D          \n\n  1  0  0  0  1  0            999 V2000\n   24.2403  -14.3503    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   1\nM  END",
          "smiles": "[K+]",
          "formula": "K",
          "atropisomerism": "No",
          "charge": 1,
          "count": 2,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 2,
            "units": "MOL RATIO",
            "uuid": "cef1a212-50b1-4b3d-a0f9-f2ab97ec2198"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "39.0983",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "b8795445-e125-4a7b-ab38-8820712b4b94",
      "version": "16",
      "structure": {
        "id": "e6a33867-3095-417e-8218-129bbf6bc426",
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0  0  0\n   16.8628  -15.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5712  -13.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2699  -14.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9831  -14.4294    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   18.2699  -15.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5087  -14.8825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0687  -11.1834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6531  -10.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6531  -12.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   21.0844  -10.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.5060  -10.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.2384  -10.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.5348   -8.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.9612   -8.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.9612   -9.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.0625   -7.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.7756   -8.0153    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   24.0625   -6.7822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   22.6891   -7.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.5348  -10.0924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   23.9469  -10.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.8022  -11.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6578   -9.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.3711  -11.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   24.2403  -14.3503    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0\n  5  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  3  7  1  0  0  0  0\n  9 10  1  0  0  0  0\n 12 13  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 11 15  1  0  0  0  0\n 10 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18 17  1  0  0  0  0\n 20 19  1  0  0  0  0\n  3 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n  4 24  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 20  1  0  0  0  0\n  5 25  1  0  0  0  0\n  6 26  1  0  0  0  0\n 25 26  1  0  0  0  0\n  7 27  1  0  0  0  0\n 28  8  1  0  0  0  0\n 27 28  1  0  0  0  0\n  6 29  1  0  0  0  0\n 29  8  1  0  0  0  0\n 29 30  1  0  0  0  0\n 29 31  1  0  0  0  0\n  8 32  1  0  0  0  0\n  9 32  1  1  0  0  0\n 10 33  1  1  0  0  0\n 11 33  1  0  0  0  0\n 11 34  1  0  0  0  0\n 34 12  1  0  0  0  0\n 13 35  1  6  0  0  0\n 15 36  1  6  0  0  0\n 14 37  1  1  0  0  0\n 12 38  1  1  0  0  0\n 38 39  1  0  0  0  0\n 38 40  2  0  0  0  0\n 11 41  1  6  0  0  0\n 17 42  1  1  0  0  0\n 43 18  1  0  0  0  0\n  9 43  1  0  0  0  0\n 18 44  1  6  0  0  0\n 44 45  1  0  0  0  0\n 44 46  2  0  0  0  0\n 16 47  1  6  0  0  0\n  8 48  1  6  0  0  0\n  7 49  1  1  0  0  0\n  6 50  1  6  0  0  0\n  5 51  1  1  0  0  0\n  4 52  1  0  0  0  0\n 53 19  1  0  0  0  0\n 52 53  1  0  0  0  0\n 54 21  1  0  0  0  0\n 20 54  1  0  0  0  0\n 21 55  1  0  0  0  0\n 19 56  1  0  0  0  0\n 56 55  1  0  0  0  0\n 21 57  1  1  0  0  0\n 57 58  1  0  0  0  0\n 57 59  2  0  0  0  0\n 21 60  1  6  0  0  0\n 20 61  1  1  0  0  0\n 19 62  1  1  0  0  0\n  4 63  1  6  0  0  0\n 22 64  2  0  0  0  0\n  3 65  1  6  0  0  0\nM  CHG  6   1   1   2   1  39  -1  45  -1  58  -1  66   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2   1  66\nM  SPA   1  1   1\nM  SDI   1  4   23.8203  -14.7703   23.8203  -13.9303\nM  SDI   1  4   24.6603  -13.9303   24.6603  -14.7703\nM  SMT   1 2\nM  END",
        "smiles": "CC1(C)[C@]2([H])CC[C@]3(C)[C@]([H])(C(=O)C=C4[C@]5([H])C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)[O-])[C@@]2(C)CC[C@]1([H])O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O6)O)O)O[C@@]7([H])[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O7)O)O)O.[K+].[K+].[H+]",
        "formula": "C42H59O16.2K.H",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 19,
        "ez_centers": 0,
        "molecular_weight": "899.1144",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "c106f518-62f5-47bb-9bad-dfe74acbc9cc",
          "aadb642f-2b37-4523-aadb-bda64c99d37b"
        ],
        "stereo_centers": 19
      },
      "unii": "CA2Y0FE3FX"
    }
  ]
}