
     RDKit          2D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.0933    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    6.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -3.8971    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.5000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 17 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 20 11  1  0
 29 24  1  0
 19 14  1  0
M  CHG  2   1   1   7  -1
M  END
>  <DATASOURCE_REGID>  (1) 
UALIB-2417

>  <SMILES_RDKIT_2019.09.2>  (1) 
O=C([O-])CCC(O)COC1=CC=C2C=CC(C(=O)CC3=CC=CC=C3)=CC2=C1.[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (1) 
InChI=1S/C23H22O5.Na/c24-20(9-11-23(26)27)15-28-21-10-8-17-6-7-18(13-19(17)14-21)22(25)12-16-4-2-1-3-5-16;/h1-8,10,13-14,20,24H,9,11-12,15H2,(H,26,27);/q;+1/p-1

>  <SUBSTANCE_COMMENT>  (1) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (1) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.0933    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    6.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -3.8971    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    7.5000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  3  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 17 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 20 11  1  0
 29 24  1  0
 19 14  1  0
M  CHG  2   1   1   7  -1
M  END
>  <DATASOURCE_REGID>  (2) 
UALIB-2418

>  <SMILES_RDKIT_2019.09.2>  (2) 
O=C([O-])CCC(O)COC1=CC=C2C=CC(C(O)CC3=CC=CC=C3)=CC2=C1.[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (2) 
InChI=1S/C23H24O5.Na/c24-20(9-11-23(26)27)15-28-21-10-8-17-6-7-18(13-19(17)14-21)22(25)12-16-4-2-1-3-5-16;/h1-8,10,13-14,20,22,24-25H,9,11-12,15H2,(H,26,27);/q;+1/p-1

>  <SUBSTANCE_COMMENT>  (2) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (2) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   10.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 21 12  1  0
 30 25  1  0
 20 15  1  0
M  END
>  <DATASOURCE_REGID>  (3) 
UALIB-2419

>  <SMILES_RDKIT_2019.09.2>  (3) 
CN(C)C(=O)CCC(O)COC1=CC=C2C=CC(C(=O)CC3=CC=CC=C3)=CC2=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (3) 
InChI=1S/C25H27NO4/c1-26(2)25(29)13-11-22(27)17-30-23-12-10-19-8-9-20(15-21(19)16-23)24(28)14-18-6-4-3-5-7-18/h3-10,12,15-16,22,27H,11,13-14,17H2,1-2H3

>  <SUBSTANCE_COMMENT>  (3) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (3) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 30 32  0  0  0  0  0  0  0  0999 V2000
   10.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -3.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 18 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 21 12  1  0
 30 25  1  0
 20 15  1  0
M  END
>  <DATASOURCE_REGID>  (4) 
UALIB-2420

>  <SMILES_RDKIT_2019.09.2>  (4) 
CN(C)C(=O)CCC(O)COC1=CC=C2C=CC(C(O)CC3=CC=CC=C3)=CC2=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (4) 
InChI=1S/C25H29NO4/c1-26(2)25(29)13-11-22(27)17-30-23-12-10-19-8-9-20(15-21(19)16-23)24(28)14-18-6-4-3-5-7-18/h3-10,12,15-16,22,24,27-28H,11,13-14,17H2,1-2H3

>  <SUBSTANCE_COMMENT>  (4) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (4) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.0000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000  -10.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918  -10.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037  -12.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 20 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 11  7  1  0
 23 14  1  0
 32 27  1  0
 22 17  1  0
M  END
>  <DATASOURCE_REGID>  (5) 
UALIB-2421

>  <SMILES_RDKIT_2019.09.2>  (5) 
O=C(CC1=CC=CC=C1)C1=CC2=CC(OCC(O)CCC(=O)N3CCCC3)=CC=C2C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (5) 
InChI=1S/C27H29NO4/c29-24(11-13-27(31)28-14-4-5-15-28)19-32-25-12-10-21-8-9-22(17-23(21)18-25)26(30)16-20-6-2-1-3-7-20/h1-3,6-10,12,17-18,24,29H,4-5,11,13-16,19H2

>  <SUBSTANCE_COMMENT>  (5) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (5) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 32 35  0  0  0  0  0  0  0  0999 V2000
    3.0000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -9.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -10.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918  -10.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037  -12.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046  -12.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899  -11.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 20 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 11  7  1  0
 23 14  1  0
 32 27  1  0
 22 17  1  0
M  END
>  <DATASOURCE_REGID>  (6) 
UALIB-2422

>  <SMILES_RDKIT_2019.09.2>  (6) 
O=C(CCC(O)COC1=CC=C2C=CC(C(O)CC3=CC=CC=C3)=CC2=C1)N1CCCC1

>  <INCHI_1.05_RDKIT_2019.09.2>  (6) 
InChI=1S/C27H31NO4/c29-24(11-13-27(31)28-14-4-5-15-28)19-32-25-12-10-21-8-9-22(17-23(21)18-25)26(30)16-20-6-2-1-3-7-20/h1-3,6-10,12,17-18,24,26,29-30H,4-5,11,13-16,19H2

>  <SUBSTANCE_COMMENT>  (6) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (6) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   10.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    7.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 14 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
  9  4  1  0
 28 10  1  0
 26 12  1  0
 23 17  1  0
M  END
>  <DATASOURCE_REGID>  (7) 
UALIB-2423

>  <SMILES_RDKIT_2019.09.2>  (7) 
O=C1CCCC(COC2=CC=C3C=CC(C(=O)CC4=CC=CC=C4)=CC3=C2)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (7) 
InChI=1S/C24H22O4/c25-23(13-17-5-2-1-3-6-17)19-10-9-18-11-12-21(15-20(18)14-19)27-16-22-7-4-8-24(26)28-22/h1-3,5-6,9-12,14-15,22H,4,7-8,13,16H2

>  <SUBSTANCE_COMMENT>  (7) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (7) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.0933    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    6.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -5.1962    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   10.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  3 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 21 12  1  0
 30 25  1  0
 20 15  1  0
M  CHG  2   1   1   8  -1
M  END
>  <DATASOURCE_REGID>  (8) 
UALIB-2424

>  <SMILES_RDKIT_2019.09.2>  (8) 
O=C([O-])CCCC(O)COC1=CC=C2C=CC(C(=O)CC3=CC=CC=C3)=CC2=C1.[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (8) 
InChI=1S/C24H24O5.Na/c25-21(7-4-8-24(27)28)16-29-22-12-11-18-9-10-19(14-20(18)15-22)23(26)13-17-5-2-1-3-6-17;/h1-3,5-6,9-12,14-15,21,25H,4,7-8,13,16H2,(H,27,28);/q;+1/p-1

>  <SUBSTANCE_COMMENT>  (8) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (8) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 30 31  0  0  0  0  0  0  0  0999 V2000
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    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0
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 27 28  2  0
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 29 30  2  0
 21 12  1  0
 30 25  1  0
 20 15  1  0
M  CHG  2   1   1   8  -1
M  END
>  <DATASOURCE_REGID>  (9) 
UALIB-2425

>  <SMILES_RDKIT_2019.09.2>  (9) 
O=C([O-])CCCC(O)COC1=CC=C2C=CC(C(O)CC3=CC=CC=C3)=CC2=C1.[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (9) 
InChI=1S/C24H26O5.Na/c25-21(7-4-8-24(27)28)16-29-22-12-11-18-9-10-19(14-20(18)15-22)23(26)13-17-5-2-1-3-6-17;/h1-3,5-6,9-12,14-15,21,23,25-26H,4,7-8,13,16H2,(H,27,28);/q;+1/p-1

>  <SUBSTANCE_COMMENT>  (9) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (9) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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    7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
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  9 11  1  0
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 14 15  1  0
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 18 19  1  0
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 19 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
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 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 22 13  1  0
 31 26  1  0
 21 16  1  0
M  END
>  <DATASOURCE_REGID>  (10) 
UALIB-2426

>  <SMILES_RDKIT_2019.09.2>  (10) 
CN(C)C(=O)CCCC(O)COC1=CC=C2C=CC(C(=O)CC3=CC=CC=C3)=CC2=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (10) 
InChI=1S/C26H29NO4/c1-27(2)26(30)10-6-9-23(28)18-31-24-14-13-20-11-12-21(16-22(20)17-24)25(29)15-19-7-4-3-5-8-19/h3-5,7-8,11-14,16-17,23,28H,6,9-10,15,18H2,1-2H3

>  <SUBSTANCE_COMMENT>  (10) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (10) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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  8  9  1  0
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 17 18  2  0
 18 19  1  0
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 27 28  1  0
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 29 30  1  0
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 22 13  1  0
 31 26  1  0
 21 16  1  0
M  END
>  <DATASOURCE_REGID>  (11) 
UALIB-2427

>  <SMILES_RDKIT_2019.09.2>  (11) 
CN(C)C(=O)CCCC(O)COC1=CC=C2C=CC(C(O)CC3=CC=CC=C3)=CC2=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (11) 
InChI=1S/C26H31NO4/c1-27(2)26(30)10-6-9-23(28)18-31-24-14-13-20-11-12-21(16-22(20)17-24)25(29)15-19-7-4-3-5-8-19/h3-5,7-8,11-14,16-17,23,25,28-29H,6,9-10,15,18H2,1-2H3

>  <SUBSTANCE_COMMENT>  (11) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (11) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <DATASOURCE_REGID>  (12) 
UALIB-2428

>  <SMILES_RDKIT_2019.09.2>  (12) 
O=C(CC1=CC=CC=C1)C1=CC2=CC(OCC(O)CCCC(=O)N3CCCC3)=CC=C2C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (12) 
InChI=1S/C28H31NO4/c30-25(9-6-10-28(32)29-15-4-5-16-29)20-33-26-14-13-22-11-12-23(18-24(22)19-26)27(31)17-21-7-2-1-3-8-21/h1-3,7-8,11-14,18-19,25,30H,4-6,9-10,15-17,20H2

>  <SUBSTANCE_COMMENT>  (12) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (12) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

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M  END
>  <DATASOURCE_REGID>  (13) 
UALIB-2429

>  <SMILES_RDKIT_2019.09.2>  (13) 
O=C(CCCC(O)COC1=CC=C2C=CC(C(O)CC3=CC=CC=C3)=CC2=C1)N1CCCC1

>  <INCHI_1.05_RDKIT_2019.09.2>  (13) 
InChI=1S/C28H33NO4/c30-25(9-6-10-28(32)29-15-4-5-16-29)20-33-26-14-13-22-11-12-23(18-24(22)19-26)27(31)17-21-7-2-1-3-8-21/h1-3,7-8,11-14,18-19,25,27,30-31H,4-6,9-10,15-17,20H2

>  <SUBSTANCE_COMMENT>  (13) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (13) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

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>  <DATASOURCE_REGID>  (14) 
UALIB-2430

>  <SMILES_RDKIT_2019.09.2>  (14) 
O=P(O)(CP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1)O[C@H]1O[C@H](COCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (14) 
InChI=1S/C47H48O11P2/c48-59(49,36-60(50,56-41-27-15-5-16-28-41)57-42-29-17-6-18-30-42)58-47-46(54-34-40-25-13-4-14-26-40)45(53-33-39-23-11-3-12-24-39)44(52-32-38-21-9-2-10-22-38)43(55-47)35-51-31-37-19-7-1-8-20-37/h1-30,43-47H,31-36H2,(H,48,49)/t43-,44-,45+,46-,47-/m1/s1

>  <SUBSTANCE_COMMENT>  (14) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (14) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

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>  <DATASOURCE_REGID>  (15) 
UALIB-2431

>  <SMILES_RDKIT_2019.09.2>  (15) 
O=P(O)(O)CP(=O)(O)O[C@H]1O[C@H](COCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (15) 
InChI=1S/C35H40O11P2/c36-47(37,38)26-48(39,40)46-35-34(44-24-30-19-11-4-12-20-30)33(43-23-29-17-9-3-10-18-29)32(42-22-28-15-7-2-8-16-28)31(45-35)25-41-21-27-13-5-1-6-14-27/h1-20,31-35H,21-26H2,(H,39,40)(H2,36,37,38)/t31-,32-,33+,34-,35-/m1/s1

>  <SUBSTANCE_COMMENT>  (15) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (15) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

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M  END
>  <DATASOURCE_REGID>  (16) 
UALIB-2432

>  <SMILES_RDKIT_2019.09.2>  (16) 
O=P(O)(O)CP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

>  <INCHI_1.05_RDKIT_2019.09.2>  (16) 
InChI=1S/C7H16O11P2/c8-1-3-4(9)5(10)6(11)7(17-3)18-20(15,16)2-19(12,13)14/h3-11H,1-2H2,(H,15,16)(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1

>  <SUBSTANCE_COMMENT>  (16) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (16) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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    5.0490   -3.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -2.5981    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.5981    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
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    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4730   -0.0159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6865   -0.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0569   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5840    1.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0001    2.0860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6298    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4163    2.3576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  1
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 16 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 22 32  1  0
 32 33  1  6
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 32 41  1  0
 41 42  1  1
 42 43  1  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 41 50  1  0
 50 51  1  6
 51 52  1  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
  7 59  1  6
 59 60  1  0
 60 61  2  0
 61 62  1  0
 62 63  2  0
 62 64  1  0
 64 65  1  0
 65 66  2  0
  9  4  1  0
 50 20  1  0
 58 53  1  0
 65 59  1  0
 31 26  1  0
 40 35  1  0
 49 44  1  0
M  CHG  4   1   1   2   1  13  -1  17  -1
M  END
>  <DATASOURCE_REGID>  (17) 
UALIB-2433

>  <SMILES_RDKIT_2019.09.2>  (17) 
O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])CP(=O)([O-])O[C@H]3O[C@H](COCC4=CC=CC=C4)[C@@H](OCC4=CC=CC=C4)[C@H](OCC4=CC=CC=C4)[C@H]3OCC3=CC=CC=C3)[C@@H](O)[C@H]2O)C(=O)[NH]1.[NH4+].[NH4+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (17) 
InChI=1S/C44H50N2O16P2.2H3N/c47-36-21-22-46(44(50)45-36)42-38(49)37(48)34(60-42)28-59-63(51,52)29-64(53,54)62-43-41(58-26-33-19-11-4-12-20-33)40(57-25-32-17-9-3-10-18-32)39(56-24-31-15-7-2-8-16-31)35(61-43)27-55-23-30-13-5-1-6-14-30;;/h1-22,34-35,37-43,48-49H,23-29H2,(H,51,52)(H,53,54)(H,45,47,50);2*1H3/t34-,35-,37-,38-,39-,40+,41-,42-,43-;;/m1../s1

>  <SUBSTANCE_COMMENT>  (17) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (17) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 38 38  0  0  0  0  0  0  0  0999 V2000
    9.8633    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    0.0000    3.5981    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1962    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.5490   -3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.1471    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5490   -6.1471    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0490   -7.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -6.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -6.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0092   -6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0092   -8.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228   -9.0778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -8.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191  -10.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228   -5.8145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5931   -6.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066   -5.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -4.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8633   -3.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2795   -3.4410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0660   -4.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6956   -3.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 13 16  1  0
 16 17  1  0
 18 17  1  1
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  6
 20 25  1  1
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  2  0
  7 33  1  0
 33 34  1  6
 33 35  1  0
 35 36  1  1
 35 37  1  0
 37 38  1  6
 37  5  1  0
 23 18  1  0
 31 25  1  0
M  CHG  4   1   1   2   1  10  -1  14  -1
M  END
>  <DATASOURCE_REGID>  (18) 
UALIB-2434

>  <SMILES_RDKIT_2019.09.2>  (18) 
O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])CP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)[NH]1.[Na+].[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (18) 
InChI=1S/C16H26N2O16P2.2Na/c19-3-6-9(21)11(23)13(25)15(33-6)34-36(29,30)5-35(27,28)31-4-7-10(22)12(24)14(32-7)18-2-1-8(20)17-16(18)26;;/h1-2,6-7,9-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26);;/q;2*+1/p-2/t6-,7-,9-,10-,11+,12-,13-,14-,15-;;/m1../s1

>  <SUBSTANCE_COMMENT>  (18) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (18) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  1  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  6 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  1  0
 19 20  2  0
 16 21  1  0
 21 22  1  1
 22 23  1  0
 23 24  1  0
 24 25  2  0
 21  1  1  0
M  END
>  <DATASOURCE_REGID>  (19) 
UALIB-2435

>  <SMILES_RDKIT_2019.09.2>  (19) 
C=CCOC[C@H]1O[C@H](OC)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (19) 
InChI=1S/C19H30O6/c1-6-10-21-14-15-16(22-11-7-2)17(23-12-8-3)18(24-13-9-4)19(20-5)25-15/h6-9,15-19H,1-4,10-14H2,5H3/t15-,16-,17+,18-,19+/m1/s1

>  <SUBSTANCE_COMMENT>  (19) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (19) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
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    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  1  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
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 22 23  1  0
 23 24  2  0
 20  1  1  0
M  END
>  <DATASOURCE_REGID>  (20) 
UALIB-2436

>  <SMILES_RDKIT_2019.09.2>  (20) 
C=CCOC[C@H]1OC(O)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (20) 
InChI=1S/C18H28O6/c1-5-9-20-13-14-15(21-10-6-2)16(22-11-7-3)17(18(19)24-14)23-12-8-4/h5-8,14-19H,1-4,9-13H2/t14-,15-,16+,17-,18?/m1/s1

>  <SUBSTANCE_COMMENT>  (20) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (20) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 50 50  0  0  0  0  0  0  0  0999 V2000
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    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2673   -8.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  6
  4  5  1  0
  5  6  1  0
  6  7  2  0
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 10 11  1  0
 11 12  1  0
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  8 14  1  0
 14 15  1  0
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 21 23  2  0
 21 24  1  0
 24 25  1  0
 26 25  1  1
 26 27  1  0
 27 28  1  0
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 31 32  1  6
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 38 39  1  0
 39 40  2  0
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 41 42  1  6
 42 43  1  0
 43 44  1  0
 44 45  2  0
 41 46  1  0
 46 47  1  1
 47 48  1  0
 48 49  1  0
 49 50  2  0
 46  3  1  0
 31 26  1  0
 39 33  1  0
M  CHG  4   1   1   2   1  18  -1  22  -1
M  END
>  <DATASOURCE_REGID>  (21) 
UALIB-2437

>  <SMILES_RDKIT_2019.09.2>  (21) 
C=CCOC[C@H]1O[C@H](OP(=O)([O-])CP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1OCC=C.[NH4+].[NH4+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (21) 
InChI=1S/C28H42N2O16P2.2H3N/c1-5-11-39-15-19-23(40-12-6-2)24(41-13-7-3)25(42-14-8-4)27(45-19)46-48(37,38)17-47(35,36)43-16-18-21(32)22(33)26(44-18)30-10-9-20(31)29-28(30)34;;/h5-10,18-19,21-27,32-33H,1-4,11-17H2,(H,35,36)(H,37,38)(H,29,31,34);2*1H3/t18-,19-,21-,22-,23-,24+,25-,26-,27-;;/m1../s1

>  <SUBSTANCE_COMMENT>  (21) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (21) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
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    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  1  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  6 12  1  0
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 19 20  2  0
 16 21  1  0
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 22 23  1  0
 23 24  1  0
 24 25  2  0
 21  1  1  0
M  END
>  <DATASOURCE_REGID>  (22) 
UALIB-2438

>  <SMILES_RDKIT_2019.09.2>  (22) 
C=CCOC[C@H]1O[C@H](OC)[C@H](OCC=C)[C@@H](OCC=C)[C@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (22) 
InChI=1S/C19H30O6/c1-6-10-21-14-15-16(22-11-7-2)17(23-12-8-3)18(24-13-9-4)19(20-5)25-15/h6-9,15-19H,1-4,10-14H2,5H3/t15-,16+,17+,18-,19+/m1/s1

>  <SUBSTANCE_COMMENT>  (22) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (22) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
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    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  1  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  6
 16 17  1  0
 17 18  1  0
 18 19  2  0
 15 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  0
 23 24  2  0
 20  1  1  0
M  END
>  <DATASOURCE_REGID>  (23) 
UALIB-2439

>  <SMILES_RDKIT_2019.09.2>  (23) 
C=CCOC[C@H]1OC(O)[C@H](OCC=C)[C@@H](OCC=C)[C@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (23) 
InChI=1S/C18H28O6/c1-5-9-20-13-14-15(21-10-6-2)16(22-11-7-3)17(18(19)24-14)23-12-8-4/h5-8,14-19H,1-4,9-13H2/t14-,15+,16+,17-,18?/m1/s1

>  <SUBSTANCE_COMMENT>  (23) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (23) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 50 50  0  0  0  0  0  0  0  0999 V2000
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    3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.5981    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.4510   -2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0490   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3481   -1.2990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0981    0.0000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
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   -4.1063   -5.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944   -6.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0935   -7.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2503   -9.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2082   -6.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6754   -6.8783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -7.4303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673   -8.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970   -9.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3165   -8.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868   -9.2606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1597   -7.1587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106   -6.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674   -5.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  1
  4  5  1  0
  5  6  1  0
  6  7  2  0
  3  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
  8 14  1  0
 14 15  1  0
 15 16  1  6
 16 17  1  0
 17 18  1  0
 17 19  2  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 21 24  1  0
 24 25  1  0
 26 25  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  1  6
 28 33  1  1
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  2  0
 15 41  1  0
 41 42  1  6
 42 43  1  0
 43 44  1  0
 44 45  2  0
 41 46  1  0
 46 47  1  1
 47 48  1  0
 48 49  1  0
 49 50  2  0
 46  3  1  0
 31 26  1  0
 39 33  1  0
M  CHG  4   1   1   2   1  18  -1  22  -1
M  END
>  <DATASOURCE_REGID>  (24) 
UALIB-2440

>  <SMILES_RDKIT_2019.09.2>  (24) 
C=CCOC[C@H]1O[C@H](OP(=O)([O-])CP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](OCC=C)[C@@H](OCC=C)[C@H]1OCC=C.[NH4+].[NH4+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (24) 
InChI=1S/C28H42N2O16P2.2H3N/c1-5-11-39-15-19-23(40-12-6-2)24(41-13-7-3)25(42-14-8-4)27(45-19)46-48(37,38)17-47(35,36)43-16-18-21(32)22(33)26(44-18)30-10-9-20(31)29-28(30)34;;/h5-10,18-19,21-27,32-33H,1-4,11-17H2,(H,35,36)(H,37,38)(H,29,31,34);2*1H3/t18-,19-,21-,22-,23+,24+,25-,26-,27-;;/m1../s1

>  <SUBSTANCE_COMMENT>  (24) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (24) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 38 38  0  0  0  0  0  0  0  0999 V2000
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    5.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    2.5981    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.4510    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0490    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3481    1.2990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0981    0.0000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
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   -5.5981    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3481    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2082    6.5665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0935    7.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944    6.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    7.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1063    5.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2503    9.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0367    9.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1935   11.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5638   12.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7206   13.5373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7774   11.1638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6206    9.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8341    8.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  6
  3  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 15 18  1  0
 18 19  1  0
 20 19  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  6
 22 27  1  1
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  2  0
  9 35  1  0
 35 36  1  0
 36 37  1  6
 37 38  1  0
 36  3  1  0
 25 20  1  0
 33 27  1  0
M  CHG  4   1   1   2   1  12  -1  16  -1
M  END
>  <DATASOURCE_REGID>  (25) 
UALIB-2441

>  <SMILES_RDKIT_2019.09.2>  (25) 
O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])CP(=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)[NH]1.[Na+].[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (25) 
InChI=1S/C16H26N2O16P2.2Na/c19-3-6-9(21)11(23)13(25)15(33-6)34-36(29,30)5-35(27,28)31-4-7-10(22)12(24)14(32-7)18-2-1-8(20)17-16(18)26;;/h1-2,6-7,9-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26);;/q;2*+1/p-2/t6-,7-,9+,10-,11+,12-,13-,14-,15-;;/m1../s1

>  <SUBSTANCE_COMMENT>  (25) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (25) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  4  5  1  0
  3  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  1  0
  9 10  2  0
  6 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  2  0
 11 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  1  0
 19 20  2  0
 16  1  1  0
M  END
>  <DATASOURCE_REGID>  (26) 
UALIB-2442

>  <SMILES_RDKIT_2019.09.2>  (26) 
C=CCO[C@H]1[C@H](OCC=C)CO[C@H](OC)[C@@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (26) 
InChI=1S/C15H24O5/c1-5-8-17-12-11-20-15(16-4)14(19-10-7-3)13(12)18-9-6-2/h5-7,12-15H,1-3,8-11H2,4H3/t12-,13+,14-,15+/m1/s1

>  <SUBSTANCE_COMMENT>  (26) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (26) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 45 45  0  0  0  0  0  0  0  0999 V2000
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    9.8633    0.0000    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1962    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.5490   -3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.1471    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5490   -6.1471    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
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   -0.5490   -6.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -6.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0092   -6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0092   -8.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5931   -6.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066   -5.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -4.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8633   -3.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0660   -4.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6956   -3.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  7  9  2  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  6
 19 21  1  0
 21 22  1  6
 18 23  1  1
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  2  0
  5 31  1  0
 31 32  1  6
 32 33  1  0
 33 34  1  0
 34 35  2  0
 31 36  1  0
 36 37  1  1
 37 38  1  0
 38 39  1  0
 39 40  2  0
 36 41  1  0
 41 42  1  6
 42 43  1  0
 43 44  1  0
 44 45  2  0
 41  3  1  0
 21 16  1  0
 29 23  1  0
M  CHG  4   1   1   2   1   8  -1  12  -1
M  END
>  <DATASOURCE_REGID>  (27) 
UALIB-2443

>  <SMILES_RDKIT_2019.09.2>  (27) 
C=CCO[C@H]1[C@H](OCC=C)CO[C@H](OP(=O)([O-])CP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@@H]1OCC=C.[NH4+].[NH4+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (27) 
InChI=1S/C24H36N2O15P2.2H3N/c1-4-9-35-16-12-38-23(21(37-11-6-3)20(16)36-10-5-2)41-43(33,34)14-42(31,32)39-13-15-18(28)19(29)22(40-15)26-8-7-17(27)25-24(26)30;;/h4-8,15-16,18-23,28-29H,1-3,9-14H2,(H,31,32)(H,33,34)(H,25,27,30);2*1H3/t15-,16-,18-,19-,20+,21-,22-,23-;;/m1../s1

>  <SUBSTANCE_COMMENT>  (27) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (27) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 36 36  0  0  0  0  0  0  0  0999 V2000
    9.8633    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    0.0000    3.5981    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1962    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.5490   -3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.1471    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5490   -6.1471    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.0490   -7.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -6.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -6.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0092   -6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0092   -8.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228   -9.0778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5826   -8.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191  -10.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2228   -5.8145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5931   -6.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066   -5.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -4.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8633   -3.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2795   -3.4410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0660   -4.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6956   -3.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  7  9  2  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  6
 19 21  1  0
 21 22  1  6
 18 23  1  1
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  2  0
  5 31  1  0
 31 32  1  6
 31 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  6
 35  3  1  0
 21 16  1  0
 29 23  1  0
M  CHG  4   1   1   2   1   8  -1  12  -1
M  END
>  <DATASOURCE_REGID>  (28) 
UALIB-2444

>  <SMILES_RDKIT_2019.09.2>  (28) 
O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])CP(=O)([O-])O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)[NH]1.[Na+].[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (28) 
InChI=1S/C15H24N2O15P2.2Na/c18-6-3-29-14(12(23)9(6)20)32-34(27,28)5-33(25,26)30-4-7-10(21)11(22)13(31-7)17-2-1-8(19)16-15(17)24;;/h1-2,6-7,9-14,18,20-23H,3-5H2,(H,25,26)(H,27,28)(H,16,19,24);;/q;2*+1/p-2/t6-,7-,9+,10-,11-,12-,13-,14-;;/m1../s1

>  <SUBSTANCE_COMMENT>  (28) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (28) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -5.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  5 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 18 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 28  3  1  0
 37 32  1  0
 15 10  1  0
 27 22  1  0
M  END
>  <DATASOURCE_REGID>  (29) 
UALIB-2445

>  <SMILES_RDKIT_2019.09.2>  (29) 
CO[C@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](F)[C@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (29) 
InChI=1S/C28H25FO8/c1-33-28-24(37-27(32)20-15-9-4-10-16-20)23(36-26(31)19-13-7-3-8-14-19)22(29)21(35-28)17-34-25(30)18-11-5-2-6-12-18/h2-16,21-24,28H,17H2,1H3/t21-,22-,23+,24-,28+/m1/s1

>  <SUBSTANCE_COMMENT>  (29) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (29) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  5  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  1
 12  3  1  0
M  END
>  <DATASOURCE_REGID>  (30) 
UALIB-2446

>  <SMILES_RDKIT_2019.09.2>  (30) 
CO[C@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@H]1O

>  <INCHI_1.05_RDKIT_2019.09.2>  (30) 
InChI=1S/C7H13FO5/c1-12-7-6(11)5(10)4(8)3(2-9)13-7/h3-7,9-11H,2H2,1H3/t3-,4-,5+,6-,7+/m1/s1

>  <SUBSTANCE_COMMENT>  (30) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (30) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  5 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 16 17  2  0
 13 18  1  0
 18 19  1  1
 19 20  1  0
 20 21  1  0
 21 22  2  0
 18  3  1  0
M  END
>  <DATASOURCE_REGID>  (31) 
UALIB-2447

>  <SMILES_RDKIT_2019.09.2>  (31) 
C=CCOC[C@H]1O[C@H](OC)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1F

>  <INCHI_1.05_RDKIT_2019.09.2>  (31) 
InChI=1S/C16H25FO5/c1-5-8-19-11-12-13(17)14(20-9-6-2)15(21-10-7-3)16(18-4)22-12/h5-7,12-16H,1-3,8-11H2,4H3/t12-,13-,14+,15-,16+/m1/s1

>  <SUBSTANCE_COMMENT>  (31) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (31) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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 17  2  1  0
M  END
>  <DATASOURCE_REGID>  (32) 
UALIB-2448

>  <SMILES_RDKIT_2019.09.2>  (32) 
C=CCOC[C@H]1OC(O)[C@H](OCC=C)[C@@H](OCC=C)[C@@H]1F

>  <INCHI_1.05_RDKIT_2019.09.2>  (32) 
InChI=1S/C15H23FO5/c1-4-7-18-10-11-12(16)13(19-8-5-2)14(15(17)21-11)20-9-6-3/h4-6,11-15,17H,1-3,7-10H2/t11-,12-,13+,14-,15?/m1/s1

>  <SUBSTANCE_COMMENT>  (32) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (32) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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    3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7 33  1  0
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 37  5  1  0
 23 18  1  0
 31 25  1  0
M  CHG  4   1   1   2   1  10  -1  14  -1
M  END
>  <DATASOURCE_REGID>  (33) 
UALIB-2449

>  <SMILES_RDKIT_2019.09.2>  (33) 
O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])CP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](F)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)[NH]1.[Na+].[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (33) 
InChI=1S/C16H25FN2O15P2.2Na/c17-9-6(3-20)33-15(13(25)11(9)23)34-36(29,30)5-35(27,28)31-4-7-10(22)12(24)14(32-7)19-2-1-8(21)18-16(19)26;;/h1-2,6-7,9-15,20,22-25H,3-5H2,(H,27,28)(H,29,30)(H,18,21,26);;/q;2*+1/p-2/t6-,7-,9-,10-,11+,12-,13-,14-,15-;;/m1../s1

>  <SUBSTANCE_COMMENT>  (33) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (33) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (34) 
UALIB-2450

>  <SMILES_RDKIT_2019.09.2>  (34) 
CO[C@H]1O[C@H](COC(=O)C2=CC=CC=C2)C[C@H](OC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (34) 
InChI=1S/C28H26O8/c1-32-28-24(36-27(31)21-15-9-4-10-16-21)23(35-26(30)20-13-7-3-8-14-20)17-22(34-28)18-33-25(29)19-11-5-2-6-12-19/h2-16,22-24,28H,17-18H2,1H3/t22-,23-,24+,28-/m0/s1

>  <SUBSTANCE_COMMENT>  (34) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (34) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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  3  2  1  1
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  4  5  1  0
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  5 11  1  0
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 15 16  2  0
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 17 18  1  1
 18 19  1  0
 19 20  1  0
 20 21  2  0
 17  3  1  0
M  END
>  <DATASOURCE_REGID>  (35) 
UALIB-2451

>  <SMILES_RDKIT_2019.09.2>  (35) 
C=CCOC[C@@H]1C[C@H](OCC=C)[C@@H](OCC=C)[C@@H](OC)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (35) 
InChI=1S/C16H26O5/c1-5-8-18-12-13-11-14(19-9-6-2)15(20-10-7-3)16(17-4)21-13/h5-7,13-16H,1-3,8-12H2,4H3/t13-,14-,15+,16-/m0/s1

>  <SUBSTANCE_COMMENT>  (35) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (35) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  4 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 13 14  1  0
 14 15  2  0
 11 16  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 19 20  2  0
 16  2  1  0
M  END
>  <DATASOURCE_REGID>  (36) 
UALIB-2452

>  <SMILES_RDKIT_2019.09.2>  (36) 
C=CCOC[C@@H]1C[C@H](OCC=C)[C@@H](OCC=C)C(O)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (36) 
InChI=1S/C15H24O5/c1-4-7-17-11-12-10-13(18-8-5-2)14(15(16)20-12)19-9-6-3/h4-6,12-16H,1-3,7-11H2/t12-,13-,14+,15?/m0/s1

>  <SUBSTANCE_COMMENT>  (36) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (36) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 46 46  0  0  0  0  0  0  0  0999 V2000
    6.2500    0.0000    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.0000    4.8971    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -1.2990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.5981    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.4510   -2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0490   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3481   -1.2990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0981    0.0000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6471   -2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5981   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3481   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5981   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1063   -5.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944   -6.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0935   -7.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2503   -9.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2082   -6.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6754   -6.8783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -7.4303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673   -8.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970   -9.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3165   -8.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868   -9.2606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1597   -7.1587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106   -6.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3674   -5.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  4 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 13 14  1  0
 13 15  2  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 17 20  1  0
 20 21  1  0
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  6
 24 29  1  1
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  2  0
 11 37  1  0
 37 38  1  6
 38 39  1  0
 39 40  1  0
 40 41  2  0
 37 42  1  0
 42 43  1  1
 43 44  1  0
 44 45  1  0
 45 46  2  0
 42  3  1  0
 27 22  1  0
 35 29  1  0
M  CHG  4   1   1   2   1  14  -1  18  -1
M  END
>  <DATASOURCE_REGID>  (37) 
UALIB-2453

>  <SMILES_RDKIT_2019.09.2>  (37) 
C=CCOC[C@@H]1C[C@H](OCC=C)[C@@H](OCC=C)[C@@H](OP(=O)([O-])CP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)O1.[NH4+].[NH4+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (37) 
InChI=1S/C25H38N2O15P2.2H3N/c1-4-9-36-13-16-12-17(37-10-5-2)22(38-11-6-3)24(40-16)42-44(34,35)15-43(32,33)39-14-18-20(29)21(30)23(41-18)27-8-7-19(28)26-25(27)31;;/h4-8,16-18,20-24,29-30H,1-3,9-15H2,(H,32,33)(H,34,35)(H,26,28,31);2*1H3/t16-,17-,18+,20+,21+,22+,23+,24+;;/m0../s1

>  <SUBSTANCE_COMMENT>  (37) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (37) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 37 37  0  0  0  0  0  0  0  0999 V2000
    4.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    5.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    2.5981    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.4510    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0490    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3481    1.2990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0981    0.0000    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -7.6471    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5981    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3481    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5981    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2082    6.5665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0935    7.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944    6.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    7.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1063    5.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1026    4.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2503    9.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0367    9.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1935   11.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5638   12.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7206   13.5373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7774   11.1638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6206    9.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8341    8.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  1  0
 10 12  2  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 14 17  1  0
 17 18  1  0
 19 18  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  6
 21 26  1  1
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
  8 34  1  0
 34 35  1  0
 35 36  1  6
 36 37  1  0
 35  3  1  0
 24 19  1  0
 32 26  1  0
M  CHG  4   1   1   2   1  11  -1  15  -1
M  END
>  <DATASOURCE_REGID>  (38) 
UALIB-2454

>  <SMILES_RDKIT_2019.09.2>  (38) 
O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])CP(=O)([O-])O[C@H]3O[C@H](CO)C[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)[NH]1.[Na+].[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (38) 
InChI=1S/C16H26N2O15P2.2Na/c19-4-7-3-8(20)11(22)15(31-7)33-35(28,29)6-34(26,27)30-5-9-12(23)13(24)14(32-9)18-2-1-10(21)17-16(18)25;;/h1-2,7-9,11-15,19-20,22-24H,3-6H2,(H,26,27)(H,28,29)(H,17,21,25);;/q;2*+1/p-2/t7-,8-,9+,11+,12+,13+,14+,15+;;/m0../s1

>  <SUBSTANCE_COMMENT>  (38) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (38) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -5.1962    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.2010   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990   -4.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5490   -5.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  7 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  6
 19 21  1  0
 21 22  1  1
 21  5  1  0
M  END
>  <DATASOURCE_REGID>  (39) 
UALIB-2455

>  <SMILES_RDKIT_2019.09.2>  (39) 
CC(C)OC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O

>  <INCHI_1.05_RDKIT_2019.09.2>  (39) 
InChI=1S/C15H32O6Si/c1-9(2)20-14-13(18)12(17)11(16)10(21-14)8-19-22(6,7)15(3,4)5/h9-14,16-18H,8H2,1-7H3/t10-,11-,12+,13-,14?/m1/s1

>  <SUBSTANCE_COMMENT>  (39) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (39) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 31 31  0  0  0  0  0  0  0  0999 V2000
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.0490   -3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <DATASOURCE_REGID>  (40) 
UALIB-2456

>  <SMILES_RDKIT_2019.09.2>  (40) 
C=CCO[C@@H]1[C@@H](OCC=C)C(OC(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (40) 
InChI=1S/C24H44O6Si/c1-11-14-25-20-19(17-28-31(9,10)24(6,7)8)30-23(29-18(4)5)22(27-16-13-3)21(20)26-15-12-2/h11-13,18-23H,1-3,14-17H2,4-10H3/t19-,20-,21+,22-,23?/m1/s1

>  <SUBSTANCE_COMMENT>  (40) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (40) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (41) 
UALIB-2457

>  <SMILES_RDKIT_2019.09.2>  (41) 
C=CCO[C@@H]1[C@@H](OCC=C)C(OC(C)C)O[C@H](CO)[C@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (41) 
InChI=1S/C18H30O6/c1-6-9-20-15-14(12-19)24-18(23-13(4)5)17(22-11-8-3)16(15)21-10-7-2/h6-8,13-19H,1-3,9-12H2,4-5H3/t14-,15-,16+,17-,18?/m1/s1

>  <SUBSTANCE_COMMENT>  (41) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (41) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (42) 
UALIB-2458

>  <SMILES_RDKIT_2019.09.2>  (42) 
C=CCO[C@@H]1[C@@H](C(=O)O)OC(OC(C)C)[C@H](OCC=C)[C@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (42) 
InChI=1S/C18H28O7/c1-6-9-21-13-14(22-10-7-2)16(23-11-8-3)18(24-12(4)5)25-15(13)17(19)20/h6-8,12-16,18H,1-3,9-11H2,4-5H3,(H,19,20)/t13-,14-,15-,16+,18?/m0/s1

>  <SUBSTANCE_COMMENT>  (42) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (42) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (43) 
UALIB-2459

>  <SMILES_RDKIT_2019.09.2>  (43) 
C=CCO[C@@H]1[C@@H](C(=O)OC)OC(O)[C@H](OCC=C)[C@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (43) 
InChI=1S/C16H24O7/c1-5-8-20-11-12(21-9-6-2)14(15(17)19-4)23-16(18)13(11)22-10-7-3/h5-7,11-14,16,18H,1-3,8-10H2,4H3/t11-,12-,13+,14-,16?/m0/s1

>  <SUBSTANCE_COMMENT>  (43) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (43) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

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    6.1197    3.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2765    2.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0630    1.3442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0
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 17 18  1  0
 17 19  2  0
 17 20  1  0
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 22 23  1  0
 23 24  1  0
 24 25  1  6
 25 26  1  0
 26 27  1  0
 27 28  2  0
 24 29  1  0
 29 30  1  1
 30 31  1  0
 31 32  1  0
 32 33  2  0
 29 34  1  0
 34 35  1  6
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 36 37  1  0
 37 38  2  0
 23 39  1  1
 39 40  1  0
 39 41  2  0
  8 42  1  1
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 47 48  1  0
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 10  5  1  0
 34 21  1  0
 48 42  1  0
M  CHG  6   1   1   2   1   3   1  14  -1  18  -1  40  -1
M  END
>  <DATASOURCE_REGID>  (44) 
UALIB-2460

>  <SMILES_RDKIT_2019.09.2>  (44) 
C=CCO[C@@H]1[C@@H](C(=O)[O-])O[C@H](OP(=O)([O-])CP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](OCC=C)[C@H]1OCC=C.[NH4+].[NH4+].[NH4+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (44) 
InChI=1S/C25H36N2O17P2.3H3N/c1-4-9-38-18-19(39-10-5-2)21(40-11-6-3)24(43-20(18)23(31)32)44-46(36,37)13-45(34,35)41-12-14-16(29)17(30)22(42-14)27-8-7-15(28)26-25(27)33;;;/h4-8,14,16-22,24,29-30H,1-3,9-13H2,(H,31,32)(H,34,35)(H,36,37)(H,26,28,33);3*1H3/t14-,16-,17-,18+,19+,20+,21-,22-,24-;;;/m1.../s1

>  <SUBSTANCE_COMMENT>  (44) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (44) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 40 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.0911    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    0.0000    8.0911    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   11.4730    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
    9.7945   -3.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4730   -0.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6889   -0.8797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2990   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5490   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5490   -6.1471    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.5981   -5.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.5981    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.0000   -1.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.7500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6469    1.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8604    2.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7036    3.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3333    4.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1765    6.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1197    3.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2765    2.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0630    1.3442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  6
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  0
  9 10  1  0
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 11 12  1  0
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 13 14  1  0
 13 15  2  0
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 16 17  1  0
 17 18  1  0
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 17 20  1  0
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 23 24  1  0
 24 25  1  6
 24 26  1  0
 26 27  1  1
 26 28  1  0
 28 29  1  6
 23 30  1  1
 30 31  1  0
 30 32  2  0
  8 33  1  1
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  2  0
 10  5  1  0
 28 21  1  0
 39 33  1  0
M  CHG  6   1   1   2   1   3   1  14  -1  18  -1  31  -1
M  END
>  <DATASOURCE_REGID>  (45) 
UALIB-2461

>  <SMILES_RDKIT_2019.09.2>  (45) 
O=C([O-])[C@H]1O[C@H](OP(=O)([O-])CP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.[Na+].[Na+].[Na+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (45) 
InChI=1S/C16H24N2O17P2.3Na/c19-6-1-2-18(16(27)17-6)13-10(23)7(20)5(33-13)3-32-36(28,29)4-37(30,31)35-15-11(24)8(21)9(22)12(34-15)14(25)26;;;/h1-2,5,7-13,15,20-24H,3-4H2,(H,25,26)(H,28,29)(H,30,31)(H,17,19,27);;;/q;3*+1/p-3/t5-,7-,8+,9+,10-,11-,12+,13-,15-;;;/m1.../s1

>  <SUBSTANCE_COMMENT>  (45) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (45) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  5  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  1  0
 14 16  2  0
 12  3  1  0
M  END
>  <DATASOURCE_REGID>  (46) 
UALIB-2462

>  <SMILES_RDKIT_2019.09.2>  (46) 
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O

>  <INCHI_1.05_RDKIT_2019.09.2>  (46) 
InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1

>  <SUBSTANCE_COMMENT>  (46) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (46) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  5 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  2  0
 11 16  1  0
 16 17  1  6
 17 18  1  0
 18 19  1  0
 19 20  2  0
 16 21  1  0
 21 22  1  1
 22 23  1  0
 23 24  1  0
 23 25  2  0
 21  3  1  0
M  END
>  <DATASOURCE_REGID>  (47) 
UALIB-2463

>  <SMILES_RDKIT_2019.09.2>  (47) 
C=CCOC[C@H]1O[C@H](OC)[C@H](NC(C)=O)[C@@H](OCC=C)[C@@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (47) 
InChI=1S/C18H29NO6/c1-6-9-22-12-14-16(23-10-7-2)17(24-11-8-3)15(19-13(4)20)18(21-5)25-14/h6-8,14-18H,1-3,9-12H2,4-5H3,(H,19,20)/t14-,15-,16-,17-,18+/m1/s1

>  <SUBSTANCE_COMMENT>  (47) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (47) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
  9 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  2  0
 15 20  1  0
 20 21  1  6
 21 22  1  0
 22 23  1  0
 23 24  2  0
 20  5  1  0
M  END
>  <DATASOURCE_REGID>  (48) 
UALIB-2464

>  <SMILES_RDKIT_2019.09.2>  (48) 
C=CCOC[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](OCC=C)[C@@H]1OCC=C

>  <INCHI_1.05_RDKIT_2019.09.2>  (48) 
InChI=1S/C17H27NO6/c1-5-8-21-11-13-15(22-9-6-2)16(23-10-7-3)14(17(20)24-13)18-12(4)19/h5-7,13-17,20H,1-3,8-11H2,4H3,(H,18,19)/t13-,14-,15-,16-,17?/m1/s1

>  <SUBSTANCE_COMMENT>  (48) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (48) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$

     RDKit          2D

 51 50  0  0  0  0  0  0  0  0999 V2000
    6.2500    0.0000    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    7.2500    0.0000    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    8.2500    0.0000    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -5.1962    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.5490   -3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -6.1471    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -6.1471    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.0490   -7.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -6.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7010   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5826   -8.6597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0092   -8.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0092   -6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2228   -5.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5826   -6.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1191   -4.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2228   -9.0778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5931   -8.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8066   -9.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6498  -10.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8633  -11.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2795  -11.4513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0660  -10.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6956  -11.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  1
  8  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 15 18  1  0
 18 19  1  0
 20 19  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  6
 22 27  1  1
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  2  0
  9 35  1  0
 35 36  1  0
 36 37  1  6
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 36 42  1  0
 42 43  1  1
 43 44  1  0
 44 45  1  0
 45 46  2  0
 42 47  1  0
 47 48  1  6
 48 49  1  0
 49 50  1  0
 50 51  2  0
 47  8  1  0
 25 20  1  0
 33 27  1  0
M  CHG  5   1   1   2   1   3   1  12  -1  16  -1
M  END
>  <DATASOURCE_REGID>  (49) 
UALIB-2465

>  <SMILES_RDKIT_2019.09.2>  (49) 
C=CCOC[C@H]1O[C@H](OP(=O)([O-])CP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)[NH]C3=O)[C@H](O)[C@@H]2O)[C@H](NC(C)=O)[C@@H](OCC=C)[C@@H]1OCC=C.[NH4+].[NH4+].[NH4+]

>  <INCHI_1.05_RDKIT_2019.09.2>  (49) 
InChI=1S/C27H41N3O16P2.3H3N/c1-5-10-40-13-18-23(41-11-6-2)24(42-12-7-3)20(28-16(4)31)26(45-18)46-48(38,39)15-47(36,37)43-14-17-21(33)22(34)25(44-17)30-9-8-19(32)29-27(30)35;;;/h5-9,17-18,20-26,33-34H,1-3,10-15H2,4H3,(H,28,31)(H,36,37)(H,38,39)(H,29,32,35);3*1H3/p+1/t17-,18-,20-,21-,22-,23-,24-,25-,26-;;;/m1.../s1

>  <SUBSTANCE_COMMENT>  (49) 
Randolph, J.T. Design, synthesis, and study of compounds of interest as anti-inflammatory, antiviral, and antitumor agents. Ph.D. Thesis, The University of Alabama, 1992.

>  <SUBSTANCE_URL>  (49) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=744241

$$$$
