
     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 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   -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
   -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
    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
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  5 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 15 16  1  0
 14  3  1  0
M  END
>  <DATASOURCE_REGID>  (1) 
UALIB-1315

>  <SMILES_RDKIT_2019.09.2>  (1) 
COC1=CC(CCCO)=CC(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (1) 
InChI=1S/C12H18O4/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h7-8,13H,4-6H2,1-3H3

>  <SUBSTANCE_SYNONYM>  (1) 
3-(3,4,5-Trimethoxyphenyl)-1-propanol

>  <SUBSTANCE_COMMENT>  (1) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (1) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 26 26  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 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   -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
   -6.0000   -5.1962    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.2990   -4.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5981   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2990   -2.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7010   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7010   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4019   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -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
   -8.2500   -6.4952    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 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
    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
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 14 16  1  0
 10 17  1  0
 17 18  1  0
 17 19  1  0
  5 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 25  1  0
 25 26  1  0
 24  3  1  0
M  END
>  <DATASOURCE_REGID>  (2) 
UALIB-1316

>  <SMILES_RDKIT_2019.09.2>  (2) 
COC1=CC(CCCO[Si](C(C)C)(C(C)C)C(C)C)=CC(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (2) 
InChI=1S/C21H38O4Si/c1-15(2)26(16(3)4,17(5)6)25-12-10-11-18-13-19(22-7)21(24-9)20(14-18)23-8/h13-17H,10-12H2,1-9H3

>  <SUBSTANCE_SYNONYM>  (2) 
5-(3-Triisopropylsiloxypropyl)-1,2,3-trimethoxybenzene

>  <SUBSTANCE_COMMENT>  (2) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (2) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 27 27  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 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
   -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
   -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 I   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    7.7942    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.2010    8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010   10.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    7.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    5.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    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
   -1.5000   10.3923    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  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  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
 18 20  1  0
 17 21  1  0
 21 22  1  0
 21 23  1  0
 17 24  1  0
 24 25  1  0
 24 26  1  0
 12 27  2  0
 27  3  1  0
M  END
>  <DATASOURCE_REGID>  (3) 
UALIB-1317

>  <SMILES_RDKIT_2019.09.2>  (3) 
COC1=C(OC)C(OC)=C(I)C(CCCO[Si](C(C)C)(C(C)C)C(C)C)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (3) 
InChI=1S/C21H37IO4Si/c1-14(2)27(15(3)4,16(5)6)26-12-10-11-17-13-18(23-7)20(24-8)21(25-9)19(17)22/h13-16H,10-12H2,1-9H3

>  <SUBSTANCE_SYNONYM>  (3) 
5-(3-Triisopropylsiloxypropyl)-4-iodo-1,2,3-trimethoxybenzene

>  <SUBSTANCE_COMMENT>  (3) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (3) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 32 32  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 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
   -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    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
   -4.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    7.7942    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.2010    8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010   10.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    7.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    5.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500    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
   -1.5000   10.3923    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  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 26 28  1  0
 22 29  1  0
 29 30  1  0
 29 31  1  0
 17 32  2  0
 32  3  1  0
M  END
>  <DATASOURCE_REGID>  (4) 
UALIB-1318

>  <SMILES_RDKIT_2019.09.2>  (4) 
COC1=C(OC)C(OC)=C(C#C[Si](C)(C)C)C(CCCO[Si](C(C)C)(C(C)C)C(C)C)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (4) 
InChI=1S/C26H46O4Si2/c1-19(2)32(20(3)4,21(5)6)30-16-13-14-22-18-24(27-7)26(29-9)25(28-8)23(22)15-17-31(10,11)12/h18-21H,13-14,16H2,1-12H3

>  <SUBSTANCE_SYNONYM>  (4) 
5-(3-Triisopropylsiloxypropyl)-4-(2-trimethylsilyethynyl)-1,2,3-trimethoxybenzene

>  <SUBSTANCE_COMMENT>  (4) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (4) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 18 18  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 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
   -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    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
   -4.5000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 13 18  2  0
 18  3  1  0
M  END
>  <DATASOURCE_REGID>  (5) 
UALIB-1319

>  <SMILES_RDKIT_2019.09.2>  (5) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CCCO

>  <INCHI_1.05_RDKIT_2019.09.2>  (5) 
InChI=1S/C14H18O4/c1-5-11-10(7-6-8-15)9-12(16-2)14(18-4)13(11)17-3/h1,9,15H,6-8H2,2-4H3

>  <SUBSTANCE_SYNONYM>  (5) 
3-(2-Ethynyl-3,4,5-trimethoxyphenyl)propan-1-ol

>  <SUBSTANCE_COMMENT>  (5) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (5) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     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 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
   -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    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
   -4.5000    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 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
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    7.7942    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.2452    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    5.7452    0.0000 Cl  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  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 13 22  2  0
 22  3  1  0
M  END
>  <DATASOURCE_REGID>  (6) 
UALIB-1320

>  <SMILES_RDKIT_2019.09.2>  (6) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CCC(O)C(Cl)(Cl)Cl

>  <INCHI_1.05_RDKIT_2019.09.2>  (6) 
InChI=1S/C15H17Cl3O4/c1-5-10-9(6-7-12(19)15(16,17)18)8-11(20-2)14(22-4)13(10)21-3/h1,8,12,19H,6-7H2,2-4H3

>  <SUBSTANCE_SYNONYM>  (6) 
4-(2-Ethynyl-3,4,5-trimethoxyphenyl)-1,1,1-trichloro-butan-2-ol

>  <SUBSTANCE_COMMENT>  (6) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (6) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 23 23  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 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
   -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    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
   -4.5000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   -4.5000    7.7942    0.0000 N   0  0  0  0  0  2  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  2  0
 16 20  1  0
 20 21  1  0
 20 22  2  0
 13 23  2  0
 23  3  1  0
M  CHG  2  18   1  19  -1
M  END
>  <DATASOURCE_REGID>  (7) 
UALIB-1321

>  <SMILES_RDKIT_2019.09.2>  (7) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CCC(N=[N+]=[N-])C(=O)O

>  <INCHI_1.05_RDKIT_2019.09.2>  (7) 
InChI=1S/C15H17N3O5/c1-5-10-9(6-7-11(15(19)20)17-18-16)8-12(21-2)14(23-4)13(10)22-3/h1,8,11H,6-7H2,2-4H3,(H,19,20)

>  <SUBSTANCE_SYNONYM>  (7) 
2-Azido-4-(2-Ethynyl-3,4,5-trimethoxyphenyl)-butanoic acid

>  <SUBSTANCE_COMMENT>  (7) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (7) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
    5.2500   -3.8971    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
    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
   -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
   -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
   -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
    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
    2.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    9.0000    0.0000    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  3  0
  5 22  1  0
 22 23  2  0
 23 24  2  0
 19  8  1  0
M  CHG  2  23   1  24  -1
M  END
>  <DATASOURCE_REGID>  (8) 
UALIB-1322

>  <SMILES_RDKIT_2019.09.2>  (8) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CCC(N=[N+]=[N-])C(=O)OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (8) 
InChI=1S/C16H19N3O5/c1-6-11-10(7-8-12(18-19-17)16(20)24-5)9-13(21-2)15(23-4)14(11)22-3/h1,9,12H,7-8H2,2-5H3

>  <SUBSTANCE_SYNONYM>  (8) 
Methyl [2-Azido-4-(2-ethynyl-3,4,5-trimethoxyphenyl)]butanoate

>  <SUBSTANCE_COMMENT>  (8) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (8) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
    5.2500   -3.8971    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    0.0000    0.0000 N   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
   -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
   -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
   -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
    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
    2.2500    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  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20 21  1  0
 21 22  3  0
 20  9  1  0
M  END
>  <DATASOURCE_REGID>  (9) 
UALIB-1323

>  <SMILES_RDKIT_2019.09.2>  (9) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CCC(N)C(=O)OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (9) 
InChI=1S/C16H21NO5/c1-6-11-10(7-8-12(17)16(18)22-5)9-13(19-2)15(21-4)14(11)20-3/h1,9,12H,7-8,17H2,2-5H3

>  <SUBSTANCE_SYNONYM>  (9) 
Methyl [2-amino-4-(2-ethynyl-3,4,5-trimethoxyphenyl)]butanoate

>  <SUBSTANCE_COMMENT>  (9) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (9) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
    5.2500   -3.8971    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
    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
   -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
   -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
   -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
    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
    2.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    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
    8.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  3  0
  5 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 19  8  1  0
M  END
>  <DATASOURCE_REGID>  (10) 
UALIB-1324

>  <SMILES_RDKIT_2019.09.2>  (10) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CCC(NC(C)=O)C(=O)OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (10) 
InChI=1S/C18H23NO6/c1-7-13-12(8-9-14(18(21)25-6)19-11(2)20)10-15(22-3)17(24-5)16(13)23-4/h1,10,14H,8-9H2,2-6H3,(H,19,20)

>  <SUBSTANCE_SYNONYM>  (10) 
Methyl [2-acetamido-4-(2-ethynyl-3,4,5-trimethoxyphenyl)]butanoate

>  <SUBSTANCE_COMMENT>  (10) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (10) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 23 24  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 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
   -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    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
   -4.5000    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 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
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601    7.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    8.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    6.6520    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 13 23  2  0
 23  3  1  0
 22 18  1  0
M  END
>  <DATASOURCE_REGID>  (11) 
UALIB-1325

>  <SMILES_RDKIT_2019.09.2>  (11) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CCC(O)C1=NC=CO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (11) 
InChI=1S/C17H19NO5/c1-5-12-11(6-7-13(19)17-18-8-9-23-17)10-14(20-2)16(22-4)15(12)21-3/h1,8-10,13,19H,6-7H2,2-4H3

>  <SUBSTANCE_SYNONYM>  (11) 
3-(2-Ethynyl-3,4,5-trimethoxyphenyl)-1-(2,5-oxazolyl)propan-1-ol

>  <SUBSTANCE_COMMENT>  (11) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (11) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 23 24  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 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
   -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    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
   -4.5000    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 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
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601    7.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    8.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    6.6520    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 13 23  2  0
 23  3  1  0
 22 18  1  0
M  END
>  <DATASOURCE_REGID>  (12) 
UALIB-1326

>  <SMILES_RDKIT_2019.09.2>  (12) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CC[C@@H](O)C1=NC=CO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (12) 
InChI=1S/C17H19NO5/c1-5-12-11(6-7-13(19)17-18-8-9-23-17)10-14(20-2)16(22-4)15(12)21-3/h1,8-10,13,19H,6-7H2,2-4H3/t13-/m1/s1

>  <SUBSTANCE_SYNONYM>  (12) 
(1R)-3-(2-Ethynyl-3,4,5-trimethoxyphenyl)-1-(2,5-oxazolyl)propan-1-ol

>  <SUBSTANCE_COMMENT>  (12) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (12) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 25 26  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 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
   -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    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
   -4.5000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    6.4952    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   -4.5000    7.7942    0.0000 N   0  0  0  0  0  2  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
   -1.3601    7.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    8.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    6.6520    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  6
 16 17  1  0
 17 18  2  0
 18 19  2  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 13 25  2  0
 25  3  1  0
 24 20  1  0
M  CHG  2  18   1  19  -1
M  END
>  <DATASOURCE_REGID>  (13) 
UALIB-1327

>  <SMILES_RDKIT_2019.09.2>  (13) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CC[C@H](N=[N+]=[N-])C1=NC=CO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (13) 
InChI=1S/C17H18N4O4/c1-5-12-11(10-14(22-2)16(24-4)15(12)23-3)6-7-13(20-21-18)17-19-8-9-25-17/h1,8-10,13H,6-7H2,2-4H3/t13-/m0/s1

>  <SUBSTANCE_SYNONYM>  (13) 
5-[(3S)-3-Azido-3-(2,5-oxazolyl)propyl]-4-ethynyl-1,2,3-trimethoxybenzene

>  <SUBSTANCE_COMMENT>  (13) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (13) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 26 27  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 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
   -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    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
   -4.5000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 N   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
   -3.0000    7.7942    0.0000 O   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
   -1.3601    7.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    8.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    6.6520    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  6
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 16 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 13 26  2  0
 26  3  1  0
 25 21  1  0
M  END
>  <DATASOURCE_REGID>  (14) 
UALIB-1328

>  <SMILES_RDKIT_2019.09.2>  (14) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CC[C@H](NC(C)=O)C1=NC=CO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (14) 
InChI=1S/C19H22N2O5/c1-6-14-13(11-16(23-3)18(25-5)17(14)24-4)7-8-15(21-12(2)22)19-20-9-10-26-19/h1,9-11,15H,7-8H2,2-5H3,(H,21,22)/t15-/m0/s1

>  <SUBSTANCE_SYNONYM>  (14) 
(S)-N-Acetyl-3-(2-ethynyl-3,4,5-trimethoxyphenyl)-1-(2-oxazolyl)-propylamine

>  <SUBSTANCE_COMMENT>  (14) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (14) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -6.5017    4.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3673    3.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0062    2.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8718    1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0983    0.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4594    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5107    0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3763   -0.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6028   -1.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841    1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9214    2.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    3.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3344    4.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186    3.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7796    3.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    2.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459    4.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398    4.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824    5.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 16 21  1  6
 21 22  1  0
 22 23  1  0
 22 24  2  0
 20  3  1  0
 19 10  1  0
 15 11  1  0
M  END
>  <DATASOURCE_REGID>  (15) 
UALIB-1329

>  <SMILES_RDKIT_2019.09.2>  (15) 
COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](NC(C)=O)C1=C2C=CO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (15) 
InChI=1S/C18H21NO5/c1-10(20)19-13-6-5-11-9-14(21-2)17(22-3)18(23-4)15(11)12-7-8-24-16(12)13/h7-9,13H,5-6H2,1-4H3,(H,19,20)/t13-/m0/s1

>  <SUBSTANCE_SYNONYM>  (15) 
(S)-N-7-Acetylamino-(12,13,14-Trimethoxy-5-oxatricyclo[8.4.0.0(2,6)]tetradeca-1(10),2(6),3,11,13-pentaene

>  <SUBSTANCE_COMMENT>  (15) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (15) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
    5.2500   -3.8971    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
    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
    3.7500    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
    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 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
   -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
   -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
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    1.2990    0.0000 O   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
    9.7500    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    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  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
  5 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 20  9  1  0
M  END
>  <DATASOURCE_REGID>  (16) 
UALIB-1330

>  <SMILES_RDKIT_2019.09.2>  (16) 
COC(=O)[C@H](CC(=O)C1=CC(OC)=C(OC)C(OC)=C1)NC(=O)OC(C)(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (16) 
InChI=1S/C19H27NO8/c1-19(2,3)28-18(23)20-12(17(22)27-7)10-13(21)11-8-14(24-4)16(26-6)15(9-11)25-5/h8-9,12H,10H2,1-7H3,(H,20,23)/t12-/m0/s1

>  <SUBSTANCE_SYNONYM>  (16) 
(2S)-Methyl-[2-tert-butoxycarbonylamino-4-oxo-4-(3,4,5-trimethoxyphenyl)]butanoate

>  <SUBSTANCE_COMMENT>  (16) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (16) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 27 27  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
    5.2500   -3.8971    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
    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
   -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
   -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
   -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
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    1.2990    0.0000 O   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
    9.7500    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    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  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
  5 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 19  8  1  0
M  END
>  <DATASOURCE_REGID>  (17) 
UALIB-1331

>  <SMILES_RDKIT_2019.09.2>  (17) 
COC(=O)[C@H](CCC1=CC(OC)=C(OC)C(OC)=C1)NC(=O)OC(C)(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (17) 
InChI=1S/C19H29NO7/c1-19(2,3)27-18(22)20-13(17(21)26-7)9-8-12-10-14(23-4)16(25-6)15(11-12)24-5/h10-11,13H,8-9H2,1-7H3,(H,20,22)/t13-/m0/s1

>  <SUBSTANCE_SYNONYM>  (17) 
(2S)-Methyl-[2-tert-butoxycarbonylamino-4-(3,4,5-trimethoxyphenyl)]butanoate

>  <SUBSTANCE_COMMENT>  (17) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (17) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 28 28  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
    5.2500   -3.8971    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
    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
   -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
   -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
   -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
    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 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    1.2990    0.0000 O   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
    9.7500    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    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  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
  5 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 19  8  1  0
M  END
>  <DATASOURCE_REGID>  (18) 
UALIB-1332

>  <SMILES_RDKIT_2019.09.2>  (18) 
COC(=O)[C@H](CCC1=CC(OC)=C(OC)C(OC)=C1I)NC(=O)OC(C)(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (18) 
InChI=1S/C19H28INO7/c1-19(2,3)28-18(23)21-12(17(22)27-7)9-8-11-10-13(24-4)15(25-5)16(26-6)14(11)20/h10,12H,8-9H2,1-7H3,(H,21,23)/t12-/m0/s1

>  <SUBSTANCE_SYNONYM>  (18) 
(2S)-Methyl-[2-tert-butoxycarbonylamino-4-(2-iodo-3,4,5-trimethoxyphenyl)]butanoate

>  <SUBSTANCE_COMMENT>  (18) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (18) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
    5.2500   -3.8971    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
    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
   -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
   -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
   -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
    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 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    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
    8.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
  5 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 19  8  1  0
M  END
>  <DATASOURCE_REGID>  (19) 
UALIB-1333

>  <SMILES_RDKIT_2019.09.2>  (19) 
COC(=O)[C@H](CCC1=CC(OC)=C(OC)C(OC)=C1I)NC(C)=O

>  <INCHI_1.05_RDKIT_2019.09.2>  (19) 
InChI=1S/C16H22INO6/c1-9(19)18-11(16(20)24-5)7-6-10-8-12(21-2)14(22-3)15(23-4)13(10)17/h8,11H,6-7H2,1-5H3,(H,18,19)/t11-/m0/s1

>  <SUBSTANCE_SYNONYM>  (19) 
(2S)-Methyl-[2-acetamido-4-(2-iodo-3,4,5-trimethoxyphenyl)]butanoate

>  <SUBSTANCE_COMMENT>  (19) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (19) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 29 29  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
    5.2500   -3.8971    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
    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
   -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
   -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
   -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
    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
    2.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.1962    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    1.7010    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990    4.4462    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
    6.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    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
    8.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  3  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
  5 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 19  8  1  0
M  END
>  <DATASOURCE_REGID>  (20) 
UALIB-1334

>  <SMILES_RDKIT_2019.09.2>  (20) 
COC(=O)[C@H](CCC1=CC(OC)=C(OC)C(OC)=C1C#C[Si](C)(C)C)NC(C)=O

>  <INCHI_1.05_RDKIT_2019.09.2>  (20) 
InChI=1S/C21H31NO6Si/c1-14(23)22-17(21(24)28-5)10-9-15-13-18(25-2)20(27-4)19(26-3)16(15)11-12-29(6,7)8/h13,17H,9-10H2,1-8H3,(H,22,23)/t17-/m0/s1

>  <SUBSTANCE_SYNONYM>  (20) 
(2S)-Methyl-[2-acetamido-4-(2-trimethylsilylethynyl-3,4,5-trimethoxyphenyl)]butanoate

>  <SUBSTANCE_COMMENT>  (20) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (20) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
    8.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.5981    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
    5.2500   -3.8971    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
    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
   -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
   -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
   -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
    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
    2.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.0000    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
    8.2500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  3  0
  5 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 19  8  1  0
M  END
>  <DATASOURCE_REGID>  (21) 
UALIB-1335

>  <SMILES_RDKIT_2019.09.2>  (21) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CC[C@H](NC(C)=O)C(=O)OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (21) 
InChI=1S/C18H23NO6/c1-7-13-12(8-9-14(18(21)25-6)19-11(2)20)10-15(22-3)17(24-5)16(13)23-4/h1,10,14H,8-9H2,2-6H3,(H,19,20)/t14-/m0/s1

>  <SUBSTANCE_SYNONYM>  (21) 
(2S)-Methyl-[2-acetamido-4-(2-ethynyl-3,4,5-trimethoxy)phenyl)]butanoate

>  <SUBSTANCE_COMMENT>  (21) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (21) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 26 27  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 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
   -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    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
   -4.5000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    5.1962    0.0000 N   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
   -3.0000    7.7942    0.0000 O   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
   -1.3601    7.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    8.8692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    6.6520    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  6
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 16 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 13 26  2  0
 26  3  1  0
 25 21  1  0
M  END
>  <DATASOURCE_REGID>  (22) 
UALIB-1336

>  <SMILES_RDKIT_2019.09.2>  (22) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CC[C@H](NC(C)=O)C1=CN=CO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (22) 
InChI=1S/C19H22N2O5/c1-6-14-13(9-16(23-3)19(25-5)18(14)24-4)7-8-15(21-12(2)22)17-10-20-11-26-17/h1,9-11,15H,7-8H2,2-5H3,(H,21,22)/t15-/m0/s1

>  <SUBSTANCE_SYNONYM>  (22) 
(S)-N-Acetyl-3-(2-ethynyl-3,4,5-trimethoxyphenyl)-1-(5-oxazolyl)-propylamine

>  <SUBSTANCE_COMMENT>  (22) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (22) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -6.5017    4.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3673    3.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0062    2.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8718    1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0983    0.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4594    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5107    0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3763   -0.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6028   -1.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841    1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9214    2.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    3.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3344    4.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186    3.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7796    3.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    2.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459    4.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824    5.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398    4.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1704    5.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5314    4.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8093    6.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8009    6.9699    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  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 16 21  1  6
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 20  3  1  0
 19 10  1  0
 15 11  1  0
M  END
>  <DATASOURCE_REGID>  (23) 
UALIB-1337

>  <SMILES_RDKIT_2019.09.2>  (23) 
COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](NC(=O)OC(C)(C)C)C1=C2C=CO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (23) 
InChI=1S/C21H27NO6/c1-21(2,3)28-20(23)22-14-8-7-12-11-15(24-4)18(25-5)19(26-6)16(12)13-9-10-27-17(13)14/h9-11,14H,7-8H2,1-6H3,(H,22,23)/t14-/m0/s1

>  <SUBSTANCE_SYNONYM>  (23) 
(S)-7-tert-Butoxycarbonylamino-(12,13,14-trimethoxy-5-oxatricyclo[8.4.0.0(2,6)]tetradeca-1(10),2(6),3,11,13-pentaene

>  <SUBSTANCE_COMMENT>  (23) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (23) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.1443    2.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    2.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943    1.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1443    0.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9639    1.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3763    0.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6028    1.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841   -1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153   -2.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459   -4.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824   -5.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -4.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1704   -5.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5314   -4.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8093   -6.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8009   -6.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  2  0
  6 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 25  1  0
 25 26  2  0
 10 27  1  1
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
  8  3  1  0
 24 13  1  0
  4 26  1  6
 25  6  1  0
M  END
>  <DATASOURCE_REGID>  (24) 
UALIB-1338

>  <SMILES_RDKIT_2019.09.2>  (24) 
COC1=C(OC)C(OC)=C2C3=C[C@H]4O[C@@]3(CC(=O)[C@H]4OC)[C@@H](NC(=O)OC(C)(C)C)CCC2=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (24) 
InChI=1S/C25H33NO8/c1-24(2,3)34-23(28)26-18-9-8-13-10-16(29-4)21(31-6)22(32-7)19(13)14-11-17-20(30-5)15(27)12-25(14,18)33-17/h10-11,17-18,20H,8-9,12H2,1-7H3,(H,26,28)/t17-,18+,20-,25-/m1/s1

>  <SUBSTANCE_SYNONYM>  (24) 
(1R,2S,13R,14S)-2-tert-Butoxycarbonylamino-7,8,9,14-tetramethoxy-17-oxatetracyclo[11.3.1.0(1,11).0(5,10)]heptadeca-5(10),6,8,11(12)-tetraen-15-one

>  <SUBSTANCE_COMMENT>  (24) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (24) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.1443   -2.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443    0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1443    0.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943    1.3846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9214   -2.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520   -3.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3673   -3.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5938   -2.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8718   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0459   -4.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398   -4.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824   -5.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  1
  7  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
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 18 19  1  0
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 22 23  1  0
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 28 30  2  0
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 25  9  1  0
 26  7  1  0
 24 13  1  0
M  END
>  <DATASOURCE_REGID>  (25) 
UALIB-1339

>  <SMILES_RDKIT_2019.09.2>  (25) 
COC1=C(OC)C(OC)=C2C3=C[C@H]4CC(=O)[C@H](OC)[C@@]3(O4)[C@@H](NC(C)=O)CCC2=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (25) 
InChI=1S/C22H27NO7/c1-11(24)23-17-7-6-12-8-16(26-2)19(27-3)20(28-4)18(12)14-9-13-10-15(25)21(29-5)22(14,17)30-13/h8-9,13,17,21H,6-7,10H2,1-5H3,(H,23,24)/t13-,17-,21-,22-/m0/s1

>  <SUBSTANCE_SYNONYM>  (25) 
(1S,2S,13S,16R)-2-Acetamido-7,8,9,16-tetramethoxy-17-oxatetracyclo[11.3.1.0(1,11).0(5,10)]heptadeca-5(10),6,8,11(12)-tetraen-15-one

>  <SUBSTANCE_COMMENT>  (25) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (25) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 33 35  0  0  0  0  0  0  0  0999 V2000
   -2.9196    8.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5704    6.7548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254    5.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3763    4.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8721    4.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7170    5.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313    2.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1821    1.5731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6779    1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355    3.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846    4.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    4.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0777    1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777   -1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3846    1.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2296    5.6275    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  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  6
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 14 23  1  0
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 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
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 27 30  2  0
 30 31  1  0
 31 32  2  0
 11 33  2  0
 33  3  1  0
 32 10  1  0
 32 23  1  0
M  END
>  <DATASOURCE_REGID>  (26) 
UALIB-1340

>  <SMILES_RDKIT_2019.09.2>  (26) 
COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](NC(=O)OC(C)(C)C)C1=CC(=O)C(OC)=CC=C12

>  <INCHI_1.05_RDKIT_2019.09.2>  (26) 
InChI=1S/C25H31NO7/c1-25(2,3)33-24(28)26-17-10-8-14-12-20(30-5)22(31-6)23(32-7)21(14)15-9-11-19(29-4)18(27)13-16(15)17/h9,11-13,17H,8,10H2,1-7H3,(H,26,28)/t17-/m0/s1

>  <SUBSTANCE_SYNONYM>  (26) 
(S)-7-tert-Butoxycarbonylamino-6,7-dihydro-1,2,3,10-tetramethoxybenzo[a]heptalene-9(5H)-one

>  <SUBSTANCE_COMMENT>  (26) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (26) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.9196    8.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5704    6.7548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5313    2.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6019    1.6359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  2  0
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 14 15  1  6
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 16 18  2  0
 14 19  1  0
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 20 21  1  0
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 21 23  1  0
 23 24  1  0
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 29  3  1  0
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 28 19  1  0
M  END
>  <DATASOURCE_REGID>  (27) 
UALIB-1341

>  <SMILES_RDKIT_2019.09.2>  (27) 
COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](NC(C)=O)C1=CC(=O)C(OC)=CC=C12

>  <INCHI_1.05_RDKIT_2019.09.2>  (27) 
InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

>  <SUBSTANCE_SYNONYM>  (27) 
Colchicine

>  <SUBSTANCE_COMMENT>  (27) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (27) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <DATASOURCE_REGID>  (28) 
UALIB-1342

>  <SMILES_RDKIT_2019.09.2>  (28) 
O=C1C=CC=CC=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (28) 
InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H

>  <SUBSTANCE_SYNONYM>  (28) 
2,4,6-Cycloheptatriene-1-one

>  <SUBSTANCE_COMMENT>  (28) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (28) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
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  8  2  1  0
M  END
>  <DATASOURCE_REGID>  (29) 
UALIB-1343

>  <SMILES_RDKIT_2019.09.2>  (29) 
O=C1C=CC=CC=C1O

>  <INCHI_1.05_RDKIT_2019.09.2>  (29) 
InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)

>  <SUBSTANCE_SYNONYM>  (29) 
2-Hydroxy-2,4,6-cycloheptatriene-1-one

>  <SUBSTANCE_COMMENT>  (29) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (29) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

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   -4.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -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
   -0.7500   -6.4952    0.0000 O   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
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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  8  9  1  0
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  5 19  1  0
 19 20  2  0
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 22 23  2  0
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 27 28  2  0
  3 29  1  0
 29 30  1  0
 18  7  1  0
 28 22  1  0
M  END
>  <DATASOURCE_REGID>  (30) 
UALIB-1344

>  <SMILES_RDKIT_2019.09.2>  (30) 
COC1=C(OC)C(OC)=CC(CN(CC(OC)OC)S(=O)(=O)C2=CC=C(C)C=C2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (30) 
InChI=1S/C21H29NO7S/c1-15-7-9-17(10-8-15)30(23,24)22(14-20(27-4)28-5)13-16-11-18(25-2)21(29-6)19(12-16)26-3/h7-12,20H,13-14H2,1-6H3

>  <SUBSTANCE_SYNONYM>  (30) 
N-(2,2-Dimethoxyethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-p-toluenesolfonamide

>  <SUBSTANCE_COMMENT>  (30) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (30) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 O   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   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 N   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
    3.0000    0.0000    0.0000 I   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
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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
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -5.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -3.8971    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
   -4.5000   -2.5981    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
   -6.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -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
   -0.7500   -6.4952    0.0000 O   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
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  2  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
  5 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
  3 30  1  0
 30 31  1  0
 19  7  1  0
 29 23  1  0
M  END
>  <DATASOURCE_REGID>  (31) 
UALIB-1345

>  <SMILES_RDKIT_2019.09.2>  (31) 
COC1=CC(CN(CC(OC)OC)S(=O)(=O)C2=CC=C(C)C=C2)=C(I)C(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (31) 
InChI=1S/C21H28INO7S/c1-14-7-9-16(10-8-14)31(24,25)23(13-18(27-3)28-4)12-15-11-17(26-2)20(29-5)21(30-6)19(15)22/h7-11,18H,12-13H2,1-6H3

>  <SUBSTANCE_SYNONYM>  (31) 
N-(2,2-Dimethoxyethyl)-N-[(2-iodo-3,4,5-trimethoxyphenyl)methyl]-p-toluenesolfonamide

>  <SUBSTANCE_COMMENT>  (31) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (31) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -5.1962    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
   -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
   -3.0000   -2.5981    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500    1.2990    0.0000 N   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
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  7 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 16 17  1  0
 15  3  1  0
 11  6  1  0
M  END
>  <DATASOURCE_REGID>  (32) 
UALIB-1346

>  <SMILES_RDKIT_2019.09.2>  (32) 
COC1=C(I)C2=C(C=CN=C2)C(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (32) 
InChI=1S/C12H12INO3/c1-15-10-7-4-5-14-6-8(7)9(13)11(16-2)12(10)17-3/h4-6H,1-3H3

>  <SUBSTANCE_SYNONYM>  (32) 
8-Iodo-5,6,7-trimethoxyisoquinoline

>  <SUBSTANCE_COMMENT>  (32) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (32) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -5.1962    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
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    4.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0000   -4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 20  2  0
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 20  3  1  0
 12  7  1  0
M  END
>  <DATASOURCE_REGID>  (33) 
UALIB-1347

>  <SMILES_RDKIT_2019.09.2>  (33) 
COC1=C(C#C[Si](C)(C)C)C2=C(C=CN=C2)C(OC)=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (33) 
InChI=1S/C17H21NO3Si/c1-19-15-12-7-9-18-11-14(12)13(8-10-22(4,5)6)16(20-2)17(15)21-3/h7,9,11H,1-6H3

>  <SUBSTANCE_SYNONYM>  (33) 
8-(2-trimethylsilylethynyl)-5,6,7-trimethoxyisoquinoline

>  <SUBSTANCE_COMMENT>  (33) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (33) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.5000   -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
    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
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   -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
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 14  3  1  0
 18 13  1  0
M  END
>  <DATASOURCE_REGID>  (34) 
UALIB-1348

>  <SMILES_RDKIT_2019.09.2>  (34) 
C#CC1=C(OC)C(OC)=C(OC)C2=C1C=NC=C2

>  <INCHI_1.05_RDKIT_2019.09.2>  (34) 
InChI=1S/C14H13NO3/c1-5-9-11-8-15-7-6-10(11)13(17-3)14(18-4)12(9)16-2/h1,6-8H,2-4H3

>  <SUBSTANCE_SYNONYM>  (34) 
8-Ethynyl-5,6,7-trimethoxyisoquinoline

>  <SUBSTANCE_COMMENT>  (34) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (34) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 27 28  0  0  0  0  0  0  0  0999 V2000
    4.5000   -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
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 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 14  3  1  0
 20 13  1  0
M  END
>  <DATASOURCE_REGID>  (35) 
UALIB-1349

>  <SMILES_RDKIT_2019.09.2>  (35) 
C#CC1=C(OC)C(OC)=C(OC)C2=C1C(C#N)N(C(=O)OC(C)(C)C)C=C2

>  <INCHI_1.05_RDKIT_2019.09.2>  (35) 
InChI=1S/C20H22N2O5/c1-8-12-15-13(17(25-6)18(26-7)16(12)24-5)9-10-22(14(15)11-21)19(23)27-20(2,3)4/h1,9-10,14H,2-7H3

>  <SUBSTANCE_SYNONYM>  (35) 
tert-Butyl-1-cyano-8-ethynyl-5,6,7-trimethoxy-1,2-dihydroisoquinoline-2-carboxylate

>  <SUBSTANCE_COMMENT>  (35) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (35) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 30 32  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   -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   -3.8971    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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2500    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    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
    2.9918   -2.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3037   -4.2221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0046   -4.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8899   -3.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
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 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 14  3  1  0
 30 26  1  0
 18 13  1  0
M  END
>  <DATASOURCE_REGID>  (36) 
UALIB-1350

>  <SMILES_RDKIT_2019.09.2>  (36) 
C#CC1=C(OC)C(OC)=C(OC)C2=C1C(C1=CN=CO1)N(C(=O)OC(C)(C)C)C=C2

>  <INCHI_1.05_RDKIT_2019.09.2>  (36) 
InChI=1S/C22H24N2O6/c1-8-13-16-14(19(27-6)20(28-7)18(13)26-5)9-10-24(21(25)30-22(2,3)4)17(16)15-11-23-12-29-15/h1,9-12,17H,2-7H3

>  <SUBSTANCE_SYNONYM>  (36) 
tert-Butyl-8-ethynyl-5,6,7-trimethoxy-1-(2,4-oxazolyl)-1,2-dihydroisoquinoline-2-carboxylate

>  <SUBSTANCE_COMMENT>  (36) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (36) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
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   -4.2874    0.9068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4057    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2921    3.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8285    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6387    5.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6424    4.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7443    6.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0159    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5076    3.6474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  1  0
 19  3  1  0
 15  4  1  0
  9  5  1  0
 15 10  1  0
M  END
>  <DATASOURCE_REGID>  (37) 
UALIB-1351

>  <SMILES_RDKIT_2019.09.2>  (37) 
COC1=C(OC)C2=C3C(=NC=C2)C2=C(C=CO2)C3=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (37) 
InChI=1S/C16H13NO4/c1-18-14-8-4-6-17-12-10(8)11(9-5-7-21-13(9)12)15(19-2)16(14)20-3/h4-7H,1-3H3

>  <SUBSTANCE_SYNONYM>  (37) 
8-(Azaethylidene)-7-ethenyl-4,5,6-trimethoxyindeno[2,3-b]furan

>  <SUBSTANCE_COMMENT>  (37) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (37) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
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    4.5577   -5.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4430   -4.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1814   -2.8023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
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  6 10  1  0
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 22 23  2  0
 23 24  1  0
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 26 27  2  0
  8  3  1  0
 23 12  1  0
  4 11  1  1
 27 22  1  0
 24  6  1  0
M  END
>  <DATASOURCE_REGID>  (38) 
UALIB-1352

>  <SMILES_RDKIT_2019.09.2>  (38) 
COC1=C(OC)C2=C3C(=NC=C2)[C@@]24CC(=O)[C@@H](OC)[C@@H](C=C2C3=C1OC)O4

>  <INCHI_1.05_RDKIT_2019.09.2>  (38) 
InChI=1S/C20H19NO6/c1-23-15-9-5-6-21-19-13(9)14(17(25-3)18(15)26-4)10-7-12-16(24-2)11(22)8-20(10,19)27-12/h5-7,12,16H,8H2,1-4H3/t12-,16-,20-/m1/s1

>  <SUBSTANCE_SYNONYM>  (38) 
16-Aza-5-methoxy-10,11,12-trimethoxy-18-oxapentacyclo[7.7.1.1(2,6).0(2,8).0(13,17)]octadeca-1(16),7,9(10),11,13(17),14-hexaen-4-one

>  <SUBSTANCE_COMMENT>  (38) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (38) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.3786   -0.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 24  9  1  0
 11  7  1  0
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 27 22  1  0
M  END
>  <DATASOURCE_REGID>  (39) 
UALIB-1353

>  <SMILES_RDKIT_2019.09.2>  (39) 
COC1=C(OC)C2=C3C(=NC=C2)C24OC(C=C2C3=C1OC)CC(=O)C4OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (39) 
InChI=1S/C20H19NO6/c1-23-15-10-5-6-21-18-13(10)14(16(24-2)17(15)25-3)11-7-9-8-12(22)19(26-4)20(11,18)27-9/h5-7,9,19H,8H2,1-4H3

>  <SUBSTANCE_SYNONYM>  (39) 
16-Aza-3-methoxy-10,11,12-trimethoxy-18-oxapentacyclo[7.7.1.1(2,6).0(2,8).0(13,17)]octadeca-1(16),7,9(10),11,13(17),14-hexaen-4-one

>  <SUBSTANCE_COMMENT>  (39) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (39) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    1.0619   -2.7663    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 N   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
   -0.7500   -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
   -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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    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  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
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 13 14  2  0
 14 15  1  0
 15 16  2  0
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 24 25  1  0
 25 26  1  0
 24  3  1  0
 20  4  1  0
 14  5  1  0
 20 15  1  0
M  END
>  <DATASOURCE_REGID>  (40) 
UALIB-1354

>  <SMILES_RDKIT_2019.09.2>  (40) 
COC1=C(OC)C2=C3C(=NC=C2)C2=CC(=O)C(OC)=CC=C2C3=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (40) 
InChI=1S/C20H17NO5/c1-23-14-6-5-10-12(9-13(14)22)17-15-11(7-8-21-17)18(24-2)20(26-4)19(25-3)16(10)15/h5-9H,1-4H3

>  <SUBSTANCE_SYNONYM>  (40) 
Imerubrine

>  <SUBSTANCE_COMMENT>  (40) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (40) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 25 29  0  0  0  0  0  0  0  0999 V2000
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    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
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2372   -3.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0747   -4.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5665   -5.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0693   -4.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5328   -3.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291   -2.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619   -2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -3.7700    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 N   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
   -0.7500   -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
   -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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    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  2  0
  4  5  1  0
  5  6  2  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  1
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
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 17 18  1  0
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 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 24  1  0
 24 25  1  0
 23  3  1  0
 19  4  1  0
 12  5  1  0
 19 14  1  0
 13  7  1  0
M  END
>  <DATASOURCE_REGID>  (41) 
UALIB-1355

>  <SMILES_RDKIT_2019.09.2>  (41) 
COC1=C(OC)C2=C3C(=NC=C2)[C@@]24CC(=O)C[C@@H](C=C2C3=C1OC)O4

>  <INCHI_1.05_RDKIT_2019.09.2>  (41) 
InChI=1S/C19H17NO5/c1-22-15-11-4-5-20-18-13(11)14(16(23-2)17(15)24-3)12-7-10-6-9(21)8-19(12,18)25-10/h4-5,7,10H,6,8H2,1-3H3/t10-,19+/m0/s1

>  <SUBSTANCE_SYNONYM>  (41) 
16-Aza-10,11,12-trimethoxy-18-oxapentacyclo[7.7.1.1(2,6).0(2,8).0(13,17)]octadeca-1(16),7,9(10),11,13(17),14-hexaen-4-one

>  <SUBSTANCE_COMMENT>  (41) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (41) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    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
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    1.5665   -5.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -3.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0337   -4.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0374   -5.9431    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    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
   -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
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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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    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  2  0
  4  5  1  0
  5  6  2  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 11 16  1  0
 16 17  1  1
  9 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  2  0
 27 28  1  0
 28 29  1  0
 27  3  1  0
 23  4  1  0
  9  5  1  0
 23 18  1  0
 16  7  1  0
M  END
>  <DATASOURCE_REGID>  (42) 
UALIB-1356

>  <SMILES_RDKIT_2019.09.2>  (42) 
COC1=C(OC)C2=C3C(=NC=C2)[C@@]24CC(OC)(OC)[C@@H](O)[C@@H](C=C2C3=C1OC)O4

>  <INCHI_1.05_RDKIT_2019.09.2>  (42) 
InChI=1S/C21H23NO7/c1-24-15-10-6-7-22-18-13(10)14(16(25-2)17(15)26-3)11-8-12-19(23)21(27-4,28-5)9-20(11,18)29-12/h6-8,12,19,23H,9H2,1-5H3/t12-,19+,20-/m1/s1

>  <SUBSTANCE_SYNONYM>  (42) 
16-Aza-4,4-dimethoxy-10,11,12-trimethoxy-18-oxapentacyclo[7.7.1.1(2,6).0(2,8).0(13,17)]octadeca-1(16),7,9(10),11,13(17),14-hexaen-5-ol

>  <SUBSTANCE_COMMENT>  (42) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (42) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    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
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    3.4972   -3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0
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 17 18  2  0
 18 19  1  0
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 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 25  1  0
 25 26  1  0
 24  3  1  0
 20  4  1  0
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 20 15  1  0
 13  7  1  0
M  END
>  <DATASOURCE_REGID>  (43) 
UALIB-1357

>  <SMILES_RDKIT_2019.09.2>  (43) 
COC1=C(OC)C2=C3C(=NC=C2)[C@@]24CC(=O)[C@@H](O)[C@@H](C=C2C3=C1OC)O4

>  <INCHI_1.05_RDKIT_2019.09.2>  (43) 
InChI=1S/C19H17NO6/c1-23-15-8-4-5-20-18-12(8)13(16(24-2)17(15)25-3)9-6-11-14(22)10(21)7-19(9,18)26-11/h4-6,11,14,22H,7H2,1-3H3/t11-,14-,19-/m1/s1

>  <SUBSTANCE_SYNONYM>  (43) 
16-Aza-5-hydroxy-10,11,12-trimethoxy-18-oxapentacyclo[7.7.1.1(2,6).0(2,8).0(13,17)]octadeca-1(16),7,9(10),11,13(17),14-hexaen-4-one

>  <SUBSTANCE_COMMENT>  (43) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (43) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 13  5  1  0
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M  END
>  <DATASOURCE_REGID>  (44) 
UALIB-1358

>  <SMILES_RDKIT_2019.09.2>  (44) 
COC1=C(OC)C2=C3C(=NC=C2)C2=CC(=O)C(O)=CC=C2C3=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (44) 
InChI=1S/C19H15NO5/c1-23-17-10-6-7-20-16-11-8-13(22)12(21)5-4-9(11)15(14(10)16)18(24-2)19(17)25-3/h4-8H,1-3H3,(H,21,22)

>  <SUBSTANCE_SYNONYM>  (44) 
Grandirubrine

>  <SUBSTANCE_COMMENT>  (44) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (44) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -5.2500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    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
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2372   -3.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619   -2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582   -3.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9003   -4.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3836   -4.9712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316   -6.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -5.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053   -7.2860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5595   -6.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4607   -4.9995    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 N   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
   -0.7500   -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
   -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
   -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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    0.0000    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  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
  6 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 25  1  0
 25 26  1  0
 24  3  1  0
 20  4  1  0
 14  5  1  0
 20 15  1  0
M  END
>  <DATASOURCE_REGID>  (45) 
UALIB-1359

>  <SMILES_RDKIT_2019.09.2>  (45) 
COC1=C(OC)C2=C3C(=NC=C2)C2=C(C=CC(=O)C(OC)=C2)C3=C1OC

>  <INCHI_1.05_RDKIT_2019.09.2>  (45) 
InChI=1S/C20H17NO5/c1-23-14-9-12-10(5-6-13(14)22)16-15-11(7-8-21-17(12)15)18(24-2)20(26-4)19(16)25-3/h5-9H,1-4H3

>  <SUBSTANCE_SYNONYM>  (45) 
Isoimerubrine

>  <SUBSTANCE_COMMENT>  (45) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (45) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 18 18  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
    6.0000   -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 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 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
   -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
   -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
    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
    2.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  3  0
 16  5  1  0
M  END
>  <DATASOURCE_REGID>  (46) 
UALIB-1360

>  <SMILES_RDKIT_2019.09.2>  (46) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CCC=O

>  <INCHI_1.05_RDKIT_2019.09.2>  (46) 
InChI=1S/C14H16O4/c1-5-11-10(7-6-8-15)9-12(16-2)14(18-4)13(11)17-3/h1,8-9H,6-7H2,2-4H3

>  <SUBSTANCE_COMMENT>  (46) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (46) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 23 24  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 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
   -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    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
   -4.5000    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 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
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601    7.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454    8.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    6.6520    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  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 13 23  2  0
 23  3  1  0
 22 18  1  0
M  END
>  <DATASOURCE_REGID>  (47) 
UALIB-1361

>  <SMILES_RDKIT_2019.09.2>  (47) 
C#CC1=C(OC)C(OC)=C(OC)C=C1CCC(=O)C1=NC=CO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (47) 
InChI=1S/C17H17NO5/c1-5-12-11(6-7-13(19)17-18-8-9-23-17)10-14(20-2)16(22-4)15(12)21-3/h1,8-10H,6-7H2,2-4H3

>  <SUBSTANCE_COMMENT>  (47) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (47) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$

     RDKit          2D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -6.5017    4.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3673    3.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0062    2.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8718    1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0983    0.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4594    1.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5107    0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3763   -0.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6028   -1.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841    1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9214    2.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    3.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3344    4.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186    3.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7796    3.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    2.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459    4.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5398    4.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824    5.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2787    1.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6482    0.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7727    1.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6361    0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627    1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4096   -0.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4996   -0.7929    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  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 16 21  1  6
 21 22  1  0
 22 23  1  0
 22 24  2  0
 21 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 20  3  1  0
 19 10  1  0
 15 11  1  0
M  END
>  <DATASOURCE_REGID>  (48) 
UALIB-1362

>  <SMILES_RDKIT_2019.09.2>  (48) 
COC1=C(OC)C(OC)=C2C(=C1)CC[C@H](N(C(C)=O)C(=O)OC(C)(C)C)C1=C2C=CO1

>  <INCHI_1.05_RDKIT_2019.09.2>  (48) 
InChI=1S/C23H29NO7/c1-13(25)24(22(26)31-23(2,3)4)16-9-8-14-12-17(27-5)20(28-6)21(29-7)18(14)15-10-11-30-19(15)16/h10-12,16H,8-9H2,1-7H3/t16-/m0/s1

>  <SUBSTANCE_COMMENT>  (48) 
Lee, J.C. Total syntheses of colchicine and tropoloisoquinoline alkaloids. Ph.D. Thesis, The University of Alabama, 2000.

>  <SUBSTANCE_URL>  (48) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=1130327

$$$$
