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        "molfile": "\n   JSDraw212292308362D\n\n 22 19  0  0  0  0              0 V2000\n   21.5712   -8.8846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   21.5712  -10.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.9148  -11.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.9148  -12.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   24.2666  -10.4359    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   20.2107   -8.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.8671   -8.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5152   -8.1217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.8671  -10.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   22.9061   -8.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.2666   -8.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.6017   -8.0869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   25.6017   -6.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.2495   -5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.2495   -4.1955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   26.9622   -8.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.2971   -8.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   29.6577   -8.8499    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   28.2971   -6.5184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   31.8332   -8.8499    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   22.8985   -6.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   31.8332   -8.8499    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  3  4  2  0  0  0  0\n  3  5  1  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  2  0  0  0  0\n  1 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  2  0  0  0  0\n 12 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 19  2  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n 14 21  1  0  0  0  0\nM  STY  1   1 MUL\nM  SAL   1  2  20  22\nM  SPA   1  1  20\nM  SDI   1  4   31.0440  -10.0822   31.0440   -7.7422\nM  SDI   1  4   33.0200   -7.7422   33.0200  -10.0822\nM  SMT   1 2\nM  CHG  4   5  -1  18  -1  20   1  22   1\nM  END",
        "smiles": "C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+]",
        "formula": "C10H14N2O8.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "336.2067",
        "optical_activity": "NONE",
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