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0  0  0  0  0  0  0  0\n   19.1834   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0566   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5762   -2.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9148   -2.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1524   -2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4360   -3.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3565   -4.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5355   -4.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1249   -5.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5355   -6.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3565   -6.1355    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7713   -6.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7671   -6.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9388   -5.5503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.1779   -1.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1771   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6033   -1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8880   -1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6052   -2.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8884   -2.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8875   -3.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6029   -4.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3179   -2.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3172   -3.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1020   -4.0036    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   12.5880   -3.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1033   -2.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6888   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8156   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2960   -2.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0122   -3.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6374   -3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5099   -4.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3309   -4.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7414   -5.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3309   -6.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5099   -6.1384    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7936   -6.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9204   -6.8518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0964   -5.4222    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  4  1  1  0  0  0  0\n  1  2  2  0  0  0  0\n  2  6  1  0  0  0  0\n  5  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  5  6  1  0  0  0  0\n  9  5  2  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8 10  2  0  0  0  0\n 13  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 11 20  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 16  2  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 45 19  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 26  2  0  0  0  0\n 24 27  1  0  0  0  0\n 24 25  2  0  0  0  0\n 28 29  2  0  0  0  0\n 31 28  1  0  0  0  0\n 29 33  1  0  0  0  0\n 32 30  1  0  0  0  0\n 30 31  2  0  0  0  0\n 32 33  1  0  0  0  0\n 36 32  2  0  0  0  0\n 33 34  2  0  0  0  0\n 34 35  1  0  0  0  0\n 35 37  2  0  0  0  0\n 36 37  1  0  0  0  0\n 40 36  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  2  0  0  0  0\n 38 46  1  0  0  0  0\n 39 40  1  0  0  0  0\n 39 43  1  0  0  0  0\n 40 41  1  0  0  0  0\n 40 42  1  0  0  0  0\n 43 44  2  0  0  0  0\n 44 45  1  0  0  0  0\n 46 47  1  0  0  0  0\n 47 48  1  0  0  0  0\n 48 49  1  0  0  0  0\n 49 50  1  0  0  0  0\n 50 51  2  0  0  0  0\n 50 52  2  0  0  0  0\n 50 53  1  0  0  0  0\nM  CHG  3  27  -1  38   1  53  -1\nM  END",
          "smiles": "CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)N(CCCCS(=O)(=O)[O-])c5ccc6ccccc6c51",
          "formula": "C43H47N2O6S2",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "0f81d1ff-edfc-45b2-b126-e675701bb0ad"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "751.9769",
          "optical_activity": "NONE",
          "stereo_centers": 0
        },
        {
          "uuid": "99d1d20a-ecf8-350d-986c-ea2849eaa637",
          "id": "99d1d20a-ecf8-350d-986c-ea2849eaa637",
          "molfile": "\n  Marvin  01132107592D          \n\n  1  0  0  0  0  0            999 V2000\n    8.7830   -4.1934    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": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "b5a4b8b6-094c-46e4-bf53-fc4ba50d69de"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "22.9898",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "1fce67fb-90b1-4ca1-809e-4c4d083867f4",
      "version": "29",
      "structure": {
        "id": "f2d0a41a-2eed-46a2-8876-58b67cb84fe5",
        "molfile": "\n  Marvin  01132112362D          \n\n 54 58  0  0  0  0            999 V2000\n   21.6942   -1.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.6951   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.2689   -1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.9843   -1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.2668   -2.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.9839   -2.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.9846   -3.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.2693   -4.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.5543   -2.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.5551   -3.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7702   -4.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2842   -3.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7690   -2.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1834   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0566   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5762   -2.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9148   -2.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1524   -2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4360   -3.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3565   -4.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5355   -4.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1249   -5.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5355   -6.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3565   -6.1355    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   17.7713   -6.7178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7671   -6.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9388   -5.5503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.1779   -1.6864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1771   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6033   -1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8880   -1.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6052   -2.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8884   -2.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8875   -3.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6029   -4.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3179   -2.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3172   -3.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1020   -4.0036    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   12.5880   -3.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1033   -2.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6888   -1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8156   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2960   -2.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0122   -3.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6374   -3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5099   -4.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3309   -4.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7414   -5.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3309   -6.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5099   -6.1384    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7936   -6.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9204   -6.8518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0964   -5.4222    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.7830   -4.1934    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  6  1  0  0  0  0\n 24 26  2  0  0  0  0\n 10 11  1  0  0  0  0\n 24 27  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 28 29  2  0  0  0  0\n 29 33  1  0  0  0  0\n 13  9  1  0  0  0  0\n 32 30  1  0  0  0  0\n  5  6  1  0  0  0  0\n 30 31  2  0  0  0  0\n 31 28  1  0  0  0  0\n 13 14  1  0  0  0  0\n 32 33  1  0  0  0  0\n 13 15  1  0  0  0  0\n 33 34  2  0  0  0  0\n  6  7  2  0  0  0  0\n 34 35  1  0  0  0  0\n 35 37  2  0  0  0  0\n 36 32  2  0  0  0  0\n 36 37  1  0  0  0  0\n 12 16  2  3  0  0  0\n  5  3  1  0  0  0  0\n 16 17  1  0  0  0  0\n  7  8  1  0  0  0  0\n 17 18  2  3  0  0  0\n 37 38  1  0  0  0  0\n 38 39  2  0  0  0  0\n 39 40  1  0  0  0  0\n 40 36  1  0  0  0  0\n  8 10  2  0  0  0  0\n 40 41  1  0  0  0  0\n 18 19  1  0  0  0  0\n 40 42  1  0  0  0  0\n  9  5  2  0  0  0  0\n 39 43  1  0  0  0  0\n 11 20  1  0  0  0  0\n 43 44  2  3  0  0  0\n  9 10  1  0  0  0  0\n 44 45  1  0  0  0  0\n 45 19  2  3  0  0  0\n 20 21  1  0  0  0  0\n 38 46  1  0  0  0  0\n 46 47  1  0  0  0  0\n 21 22  1  0  0  0  0\n 47 48  1  0  0  0  0\n  3  4  2  0  0  0  0\n 48 49  1  0  0  0  0\n 22 23  1  0  0  0  0\n 49 50  1  0  0  0  0\n  4  1  1  0  0  0  0\n 50 51  2  0  0  0  0\n 23 24  1  0  0  0  0\n 50 52  2  0  0  0  0\n  1  2  2  0  0  0  0\n 50 53  1  0  0  0  0\n 24 25  2  0  0  0  0\nM  CHG  4  27  -1  38   1  53  -1  54   1\nM  END",
        "smiles": "CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)N(CCCCS(=O)(=O)[O-])c5ccc6ccccc6c51.[Na+]",
        "formula": "C43H47N2O6S2.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "774.9666",
        "optical_activity": "NONE",
        "references": [
          "b25d0105-e928-4527-84c1-73ac35d7659c",
          "4c709f98-cc07-4f55-8638-0df27e635e20"
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        "stereo_centers": 0
      },
      "unii": "IX6J1063HV",
      "relationships": [
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          "uuid": "63c5c0fc-3d63-4864-9fe2-4c74854ed04b",
          "amount": {
            "uuid": "164a0fd1-3726-475b-8aca-8b53079543b9"
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          "type": "ACTIVE MOIETY",
          "related_substance": {
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            "refuuid": "92eaaefd-fc47-4cbf-aa11-6aafe1eb00c9",
            "name": "INDOCYANINE GREEN ACID FORM",
            "unii": "C4V974V932",
            "linking_id": "C4V974V932",
            "ref_pname": "INDOCYANINE GREEN ACID FORM",
            "substance_class": "reference"
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        },
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          "uuid": "072e64ae-6aa8-432e-aaac-ea06660c12ad",
          "amount": {
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          "type": "PARENT->SALT/SOLVATE",
          "references": [
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          "related_substance": {
            "uuid": "bfc79a53-3073-4d60-befc-08032ad37e7d",
            "refuuid": "92eaaefd-fc47-4cbf-aa11-6aafe1eb00c9",
            "name": "INDOCYANINE GREEN ACID FORM",
            "unii": "C4V974V932",
            "linking_id": "C4V974V932",
            "ref_pname": "INDOCYANINE GREEN ACID FORM",
            "substance_class": "reference"
          }
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      "names": [
        {
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