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      "structure": {
        "id": "734d5923-c202-45a7-865c-5df77aaf9c31",
        "molfile": "\n  Marvin  01132105592D          \n\n 42 31  0  0  0  0            999 V2000\n   10.6915   -4.4654    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2791   -3.7510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9771   -4.8779    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.4060   -4.0529    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.1041   -5.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6915   -5.8944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8665   -5.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4541   -6.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6291   -6.6089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2165   -7.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3915   -7.3233    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3915   -8.1483    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.3915   -6.4983    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.5665   -7.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2165   -5.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3915   -5.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9791   -5.1799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3915   -4.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2165   -4.4654    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2165   -3.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2165   -5.2904    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0415   -4.4654    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.1541   -5.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7415   -4.4654    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0270   -4.8779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4560   -4.0529    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.3290   -3.7510    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.1041   -6.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6915   -7.3233    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9771   -6.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4060   -7.7358    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.2791   -8.0378    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.5621   -6.0849    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   12.6680   -5.8718    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n   12.6680   -5.8718    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n   12.6680   -5.8718    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n    4.5621   -6.0849    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    4.5621   -6.0849    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    4.5621   -6.0849    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    4.5621   -6.0849    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    4.5621   -6.0849    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    4.5621   -6.0849    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  1  0  0  0  0\n 11 14  2  0  0  0  0\n  9 15  1  0  0  0  0\n 16 15  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 19 18  1  0  0  0  0\n 19 20  2  0  0  0  0\n 19 21  1  0  0  0  0\n 19 22  1  0  0  0  0\n 17 23  1  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 26  1  0  0  0  0\n 24 27  1  0  0  0  0\n  6 28  1  0  0  0  0\n 29 28  1  0  0  0  0\n 29 30  2  0  0  0  0\n 29 31  1  0  0  0  0\n 29 32  1  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  7  8  1  0  0  0  0\n  9  8  1  0  0  0  0\n  9 10  1  0  0  0  0\nM  CHG  8   3  -1   4  -1  12  -1  13  -1  21  -1  22  -1  26  -1  27  -1\nM  CHG  8  31  -1  32  -1  33   1  34   1  35   1  36   1  37   1  38   1\nM  CHG  4  39   1  40   1  41   1  42   1\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1  7  33  37  38  39  40  41  42\nM  SPA   1  1  33\nM  SDI   1  4    4.1421   -6.5049    4.1421   -5.6649\nM  SDI   1  4    4.9821   -5.6649    4.9821   -6.5049\nM  SMT   1 7\nM  SCN  1   2 HT \nM  SAL   2  3  34  35  36\nM  SPA   2  1  34\nM  SDI   2  4   12.2480   -6.2918   12.2480   -5.4518\nM  SDI   2  4   13.0880   -5.4518   13.0880   -6.2918\nM  SMT   2 3\nM  END",
        "smiles": "C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H+].[H+].[H+]",
        "formula": "C9H18N3O15P5.7Na.3H",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "727.0718",
        "optical_activity": "NONE",
        "references": [
          "50715d8b-87f1-49b9-aa3a-92a886d9ea49",
          "8fcb909f-7a3b-46a6-a38a-9628cfc8fdc8"
        ],
        "stereo_centers": 0
      },
      "unii": "OK9F2L7QZF"
    }
  ]
}