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M  END
>  <DATASOURCE_REGID>  (1) 
UALIB-1798

>  <SMILES_RDKIT_2019.09.2>  (1) 
C1=C2C=CC3=CC=C(C=CC4=CC=C(C=CC(=C1)S2)S4)S3

>  <INCHI_1.05_RDKIT_2019.09.2>  (1) 
InChI=1S/C18H12S3/c1-2-14-9-10-16-5-6-18(21-16)12-11-17-4-3-15(20-17)8-7-13(1)19-14/h1-12H

>  <SUBSTANCE_COMMENT>  (1) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (1) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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M  END
>  <DATASOURCE_REGID>  (2) 
UALIB-1799

>  <SMILES_RDKIT_2019.09.2>  (2) 
C1=C\C2=CC=C(/C=C\C3=CC=C(/C=C\C4=CC=C(/C=C\C5=CC=C/1S5)S4)S3)S2

>  <INCHI_1.05_RDKIT_2019.09.2>  (2) 
InChI=1S/C24H16S4/c1-2-18-11-12-20-5-6-22(27-20)15-16-24-8-7-23(28-24)14-13-21-4-3-19(26-21)10-9-17(1)25-18/h1-16H/b10-9-,12-11-,14-13-,16-15-,17-9?,18-11?,19-10?,20-12?,21-13?,22-15?,23-14?,24-16?

>  <SUBSTANCE_COMMENT>  (2) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (2) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (3) 
UALIB-1800

>  <SMILES_RDKIT_2019.09.2>  (3) 
C1=CSC(C2=CC=CS2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (3) 
InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H

>  <SUBSTANCE_COMMENT>  (3) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (3) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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M  END
>  <DATASOURCE_REGID>  (4) 
UALIB-1801

>  <SMILES_RDKIT_2019.09.2>  (4) 
O=CC1=CC=C(C2=CC=C(C=O)S2)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (4) 
InChI=1S/C10H6O2S2/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-6H

>  <SUBSTANCE_COMMENT>  (4) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (4) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (5) 
UALIB-1802

>  <SMILES_RDKIT_2019.09.2>  (5) 
C1=C\C2=CC=C(S2)C2=CC=C(/C=C\C3=CC=C(S3)C3=CC=C/1S3)S2

>  <INCHI_1.05_RDKIT_2019.09.2>  (5) 
InChI=1S/C20H12S4/c1-2-14-6-10-19(22-14)20-12-8-16(24-20)4-3-15-7-11-18(23-15)17-9-5-13(1)21-17/h1-12H/b2-1-,4-3-,13-1?,14-2?,15-3?,16-4?,18-17?,20-19?

>  <SUBSTANCE_COMMENT>  (5) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (5) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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M  END
>  <DATASOURCE_REGID>  (6) 
UALIB-1803

>  <SMILES_RDKIT_2019.09.2>  (6) 
C1=CC2=CC=C(S2)C2=CC=C(C=CC3=CC=C(S3)C3=CC=C(C=CC4=CC=C(S4)C4=CC=C1S4)S3)S2

>  <INCHI_1.05_RDKIT_2019.09.2>  (6) 
InChI=1S/C30H18S6/c1-2-20-8-14-27(32-20)28-16-10-22(34-28)5-6-24-12-18-30(36-24)29-17-11-23(35-29)4-3-21-9-15-26(33-21)25-13-7-19(1)31-25/h1-18H

>  <SUBSTANCE_COMMENT>  (6) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (6) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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M  END
>  <DATASOURCE_REGID>  (7) 
UALIB-1804

>  <SMILES_RDKIT_2019.09.2>  (7) 
C1=C\C2=CC=C(S2)C2=CC=C(S2)C2=CC=C(/C=C\C3=CC=C(S3)C3=CC=C(S3)C3=CC=C/1S3)S2

>  <INCHI_1.05_RDKIT_2019.09.2>  (7) 
InChI=1S/C28H16S6/c1-2-18-6-10-22(30-18)26-15-16-28(34-26)24-12-8-20(32-24)4-3-19-7-11-23(31-19)27-14-13-25(33-27)21-9-5-17(1)29-21/h1-16H/b2-1-,4-3-,17-1?,18-2?,19-3?,20-4?,25-21?,26-22?,27-23?,28-24?

>  <SUBSTANCE_COMMENT>  (7) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (7) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

     RDKit          2D

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  1  2  1  0
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M  CHG  2   7   1  27   1
M  END
>  <DATASOURCE_REGID>  (8) 
UALIB-1805

>  <SMILES_RDKIT_2019.09.2>  (8) 
C1=CC2=[S+]C1=C1C=CC(=CC=C3C=CC(=C4C=CC(=[S+]4)C4=CC=C(C=CC5=CC=C2S5)S4)S3)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (8) 
InChI=1S/C28H16S6/c1-2-18-6-10-22(30-18)26-15-16-28(34-26)24-12-8-20(32-24)4-3-19-7-11-23(31-19)27-14-13-25(33-27)21-9-5-17(1)29-21/h1-16H/q+2

>  <SUBSTANCE_COMMENT>  (8) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (8) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

     RDKit          2D

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  3  4  1  0
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 12  8  1  0
 17 13  1  0
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 36  4  1  0
M  CHG  4   1  -1   2  -1   9   1  29   1
M  END
>  <DATASOURCE_REGID>  (9) 
UALIB-1806

>  <SMILES_RDKIT_2019.09.2>  (9) 
C1=CC2=[S+]/C1=C1/C=C/C(=C/C=C3/C=CC(=C4C=CC(=[S+]4)C4=CC=C(/C=C\C5=CC=C2S5)S4)S3)S1.[Br-].[Br-]

>  <INCHI_1.05_RDKIT_2019.09.2>  (9) 
InChI=1S/C28H16S6.2BrH/c1-2-18-6-10-22(30-18)26-15-16-28(34-26)24-12-8-20(32-24)4-3-19-7-11-23(31-19)27-14-13-25(33-27)21-9-5-17(1)29-21;;/h1-16H;2*1H/q+2;;/p-2

>  <SUBSTANCE_COMMENT>  (9) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (9) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

     RDKit          2D

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>  <DATASOURCE_REGID>  (10) 
UALIB-1807

>  <SMILES_RDKIT_2019.09.2>  (10) 
C1=CC2C3SC(C4=CC=C(/C=C\C5=CC=C(S5)C5SC(C6=CC=C(/C=C\C7=CC=C3S7)S6)C3C=CC=CC53)S4)C2C=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (10) 
InChI=1S/C36H28S6/c1-2-6-26-25(5-1)33-29-17-13-21(37-29)9-10-23-15-19-31(39-23)35-27-7-3-4-8-28(27)36(42-35)32-20-16-24(40-32)12-11-22-14-18-30(38-22)34(26)41-33/h1-20,25-28,33-36H/b10-9-,12-11-

>  <SUBSTANCE_COMMENT>  (10) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (10) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (11) 
UALIB-1808

>  <SMILES_RDKIT_2019.09.2>  (11) 
BrC1=CC=C(CC2=CC=C(Br)S2)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (11) 
InChI=1S/C9H6Br2S2/c10-8-3-1-6(12-8)5-7-2-4-9(11)13-7/h1-4H,5H2

>  <SUBSTANCE_COMMENT>  (11) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (11) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (12) 
UALIB-1809

>  <SMILES_RDKIT_2019.09.2>  (12) 
O=CC1=CC=C(CC2=CC=C(C=O)S2)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (12) 
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>  <SUBSTANCE_COMMENT>  (12) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (12) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (13) 
UALIB-1810

>  <SMILES_RDKIT_2019.09.2>  (13) 
C1=C\C2=CC=C(CC3=CC=C(/C=C\C4=CC=C(CC5=CC=C/1S5)S4)S3)S2

>  <INCHI_1.05_RDKIT_2019.09.2>  (13) 
InChI=1S/C22H16S4/c1-2-16-6-10-20(24-16)14-22-12-8-18(26-22)4-3-17-7-11-21(25-17)13-19-9-5-15(1)23-19/h1-12H,13-14H2/b2-1-,4-3-

>  <SUBSTANCE_COMMENT>  (13) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (13) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (14) 
UALIB-1811

>  <SMILES_RDKIT_2019.09.2>  (14) 
C1=C2C=CC(=CC3=CC=C(C=CC4=CC=C(C=C5C=CC(=C1)S5)S4)S3)S2

>  <INCHI_1.05_RDKIT_2019.09.2>  (14) 
InChI=1S/C22H14S4/c1-2-16-6-10-20(24-16)14-22-12-8-18(26-22)4-3-17-7-11-21(25-17)13-19-9-5-15(1)23-19/h1-14H

>  <SUBSTANCE_COMMENT>  (14) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (14) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (15) 
UALIB-1812

>  <SMILES_RDKIT_2019.09.2>  (15) 
CC(C)CC(C1=CC=C(Br)S1)C1=CC=C(Br)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (15) 
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>  <SUBSTANCE_COMMENT>  (15) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (15) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (16) 
UALIB-1813

>  <SMILES_RDKIT_2019.09.2>  (16) 
CC(C)CC(C1=CC=C(C=O)S1)C1=CC=C(C=O)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (16) 
InChI=1S/C15H16O2S2/c1-10(2)7-13(14-5-3-11(8-16)18-14)15-6-4-12(9-17)19-15/h3-6,8-10,13H,7H2,1-2H3

>  <SUBSTANCE_COMMENT>  (16) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (16) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (17) 
UALIB-1814

>  <SMILES_RDKIT_2019.09.2>  (17) 
CC(C)C[C@H]1C2=CC=C(/C=C\C3=CC=C(S3)[C@@H](CC(C)C)C3=CC=C(/C=C\C4=CC=C1S4)S3)S2.CC(C)C[C@H]1C2=CC=C(/C=C\C3=CC=C(S3)[C@H](CC(C)C)C3=CC=C(/C=C\C4=CC=C1S4)S3)S2

>  <INCHI_1.05_RDKIT_2019.09.2>  (17) 
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>  <SUBSTANCE_COMMENT>  (17) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (17) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (18) 
UALIB-1815

>  <SMILES_RDKIT_2019.09.2>  (18) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (18) 
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>  <SUBSTANCE_COMMENT>  (18) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (18) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (19) 
UALIB-1816

>  <SMILES_RDKIT_2019.09.2>  (19) 
CN1C(C2=CC=C(C=O)S2)=CC=C1C1=CC=C(C=O)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (19) 
InChI=1S/C15H11NO2S2/c1-16-12(14-6-2-10(8-17)19-14)4-5-13(16)15-7-3-11(9-18)20-15/h2-9H,1H3

>  <SUBSTANCE_COMMENT>  (19) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (19) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (20) 
UALIB-1817

>  <SMILES_RDKIT_2019.09.2>  (20) 
CN1C2=CC=C1C1=CC=C(/C=C\C3=CC=C(S3)C3=CC=C(C4=CC=C(/C=C\C5=CC=C2S5)S4)N3C)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (20) 
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>  <SUBSTANCE_COMMENT>  (20) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (20) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (21) 
UALIB-1818

>  <SMILES_RDKIT_2019.09.2>  (21) 
CCCCCCCCCCCCN1C(C2=CC=CS2)=CC=C1C1=CC=CS1

>  <INCHI_1.05_RDKIT_2019.09.2>  (21) 
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>  <SUBSTANCE_COMMENT>  (21) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (21) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (22) 
UALIB-1819

>  <SMILES_RDKIT_2019.09.2>  (22) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (22) 
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>  <SUBSTANCE_COMMENT>  (22) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (22) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (23) 
UALIB-1820

>  <SMILES_RDKIT_2019.09.2>  (23) 
CCCCCCCCCCCCN1C2=CC=C1C1=CC=C(/C=C\C3=CC=C(S3)C3=CC=C(C4=CC=C(/C=C\C5=CC=C2S5)S4)N3CCCCCCCCCCCC)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (23) 
InChI=1S/C52H66N2S4/c1-3-5-7-9-11-13-15-17-19-21-39-53-45-31-32-46(53)50-36-28-42(56-50)24-26-44-30-38-52(58-44)48-34-33-47(54(48)40-22-20-18-16-14-12-10-8-6-4-2)51-37-29-43(57-51)25-23-41-27-35-49(45)55-41/h23-38H,3-22,39-40H2,1-2H3/b25-23-,26-24-,41-23?,42-24?,43-25?,44-26?,49-45?,50-46?,51-47?,52-48?

>  <SUBSTANCE_COMMENT>  (23) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (23) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

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>  <DATASOURCE_REGID>  (24) 
UALIB-1821

>  <SMILES_RDKIT_2019.09.2>  (24) 
C1=CSC(C2=CC=C(C3=CC=CS3)[NH]2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (24) 
InChI=1S/C12H9NS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H

>  <SUBSTANCE_COMMENT>  (24) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (24) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

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>  <DATASOURCE_REGID>  (25) 
UALIB-1822

>  <SMILES_RDKIT_2019.09.2>  (25) 
O=CC1=CC=C(C2=CC=C(C3=CC=C(C=O)S3)[NH]2)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (25) 
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>  <SUBSTANCE_COMMENT>  (25) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (25) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (26) 
UALIB-1823

>  <SMILES_RDKIT_2019.09.2>  (26) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (26) 
InChI=1S/C28H18N2S4/c1-2-18-6-14-26(32-18)22-11-12-24(30-22)28-16-8-20(34-28)4-3-19-7-15-27(33-19)23-10-9-21(29-23)25-13-5-17(1)31-25/h1-16,29-30H/b2-1-,4-3-,17-1?,18-2?,19-3?,20-4?,25-21?,26-22?,27-23?,28-24?

>  <SUBSTANCE_COMMENT>  (26) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (26) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (27) 
UALIB-1824

>  <SMILES_RDKIT_2019.09.2>  (27) 
C1=CC2=NC1=C1C=CC(=CC=C3C=CC(=C4C=CC(=N4)C4=CC=C(C=CC5=CC=C2S5)S4)S3)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (27) 
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>  <SUBSTANCE_COMMENT>  (27) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (27) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (28) 
UALIB-1825

>  <SMILES_RDKIT_2019.09.2>  (28) 
CC/C(=C(/CC)C1=CC=C(C2=CC=C(C3=CC=CS3)[NH]2)S1)C1=CC=C(C2=CC=C(C3=CC=CS3)[NH]2)S1.CC/C(=C(\CC)C1=CC=C(C2=CC=C(C3=CC=CS3)[NH]2)S1)C1=CC=C(C2=CC=C(C3=CC=CS3)[NH]2)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (28) 
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>  <SUBSTANCE_COMMENT>  (28) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (28) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (29) 
UALIB-1826

>  <SMILES_RDKIT_2019.09.2>  (29) 
CCC(=O)C1=CC=C(C2=CC=C(C3=CC=CS3)[NH]2)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (29) 
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>  <SUBSTANCE_COMMENT>  (29) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (29) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (30) 
UALIB-1827

>  <SMILES_RDKIT_2019.09.2>  (30) 
CCC(=O)C1=CC=C(C2=CC=C(C3=CC=C(C(=O)CC)S3)[NH]2)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (30) 
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>  <SUBSTANCE_COMMENT>  (30) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (30) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (31) 
UALIB-1828

>  <SMILES_RDKIT_2019.09.2>  (31) 
C1=COC(C2=CC=C(C3=CC=CO3)[NH]2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (31) 
InChI=1S/C12H9NO2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H

>  <SUBSTANCE_COMMENT>  (31) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (31) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (32) 
UALIB-1829

>  <SMILES_RDKIT_2019.09.2>  (32) 
O=CC1=CC=C(C2=CC=C(C3=CC=CO3)[NH]2)O1

>  <INCHI_1.05_RDKIT_2019.09.2>  (32) 
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>  <SUBSTANCE_COMMENT>  (32) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (32) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (33) 
UALIB-1830

>  <SMILES_RDKIT_2019.09.2>  (33) 
C1=CSC(C2=CC=C(C3=CC=CS3)O2)=C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (33) 
InChI=1S/C12H8OS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8H

>  <SUBSTANCE_COMMENT>  (33) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (33) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (34) 
UALIB-1831

>  <SMILES_RDKIT_2019.09.2>  (34) 
O=CC1=CC=C(C2=CC=C(C3=CC=C(C=O)S3)O2)S1

>  <INCHI_1.05_RDKIT_2019.09.2>  (34) 
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>  <SUBSTANCE_COMMENT>  (34) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (34) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (35) 
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>  <SMILES_RDKIT_2019.09.2>  (35) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (35) 
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>  <SUBSTANCE_COMMENT>  (35) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (35) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (36) 
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>  <SMILES_RDKIT_2019.09.2>  (36) 
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>  <INCHI_1.05_RDKIT_2019.09.2>  (36) 
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>  <SUBSTANCE_COMMENT>  (36) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (36) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

     RDKit          2D

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>  <DATASOURCE_REGID>  (37) 
UALIB-1834

>  <SMILES_RDKIT_2019.09.2>  (37) 
CN1C(=O)C=CC1=S

>  <INCHI_1.05_RDKIT_2019.09.2>  (37) 
InChI=1S/C5H5NOS/c1-6-4(7)2-3-5(6)8/h2-3H,1H3

>  <SUBSTANCE_COMMENT>  (37) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (37) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (38) 
UALIB-1835

>  <SMILES_RDKIT_2019.09.2>  (38) 
CC1=C(C)CC2C(=S)N(C)C(=O)C2C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (38) 
InChI=1S/C11H15NOS/c1-6-4-8-9(5-7(6)2)11(14)12(3)10(8)13/h8-9H,4-5H2,1-3H3

>  <SUBSTANCE_COMMENT>  (38) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (38) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (39) 
UALIB-1836

>  <SMILES_RDKIT_2019.09.2>  (39) 
CC1=C(C)CC2(C=CC(=O)N2C)SC1

>  <INCHI_1.05_RDKIT_2019.09.2>  (39) 
InChI=1S/C11H15NOS/c1-8-6-11(14-7-9(8)2)5-4-10(13)12(11)3/h4-5H,6-7H2,1-3H3

>  <SUBSTANCE_COMMENT>  (39) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (39) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

     RDKit          2D

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M  END
>  <DATASOURCE_REGID>  (40) 
UALIB-1837

>  <SMILES_RDKIT_2019.09.2>  (40) 
CC1=C(C)CC2C(=O)N(C)C(=O)C2C1

>  <INCHI_1.05_RDKIT_2019.09.2>  (40) 
InChI=1S/C11H15NO2/c1-6-4-8-9(5-7(6)2)11(14)12(3)10(8)13/h8-9H,4-5H2,1-3H3

>  <SUBSTANCE_COMMENT>  (40) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (40) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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M  END
>  <DATASOURCE_REGID>  (41) 
UALIB-1838

>  <SMILES_RDKIT_2019.09.2>  (41) 
CN1C(=O)[C@@H]2[C@@H](OC(=O)C3=CC=CC=C3)C=C[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]2C1=S

>  <INCHI_1.05_RDKIT_2019.09.2>  (41) 
InChI=1S/C23H19NO5S/c1-24-20(25)18-16(28-22(26)14-8-4-2-5-9-14)12-13-17(19(18)21(24)30)29-23(27)15-10-6-3-7-11-15/h2-13,16-19H,1H3/t16-,17+,18+,19-/m0/s1

>  <SUBSTANCE_COMMENT>  (41) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (41) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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>  <DATASOURCE_REGID>  (42) 
UALIB-1839

>  <SMILES_RDKIT_2019.09.2>  (42) 
CN1C(=O)[C@@H]2[C@@H](OC(=O)C3=CC=CC=C3)C=C[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]2C1=O

>  <INCHI_1.05_RDKIT_2019.09.2>  (42) 
InChI=1S/C23H19NO6/c1-24-20(25)18-16(29-22(27)14-8-4-2-5-9-14)12-13-17(19(18)21(24)26)30-23(28)15-10-6-3-7-11-15/h2-13,16-19H,1H3/t16-,17+,18+,19-

>  <SUBSTANCE_COMMENT>  (42) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (42) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$

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    1.5000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    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
   -1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401   -3.1891    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.6073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135   -2.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6401   -3.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  6
  7  8  1  0
  6  9  1  0
  9 10  1  1
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  9  1  1  0
 14  1  1  0
M  END
>  <DATASOURCE_REGID>  (43) 
UALIB-1840

>  <SMILES_RDKIT_2019.09.2>  (43) 
CO[C@@H]1CC(=O)C[C@H]2C(=O)N(C)C(=S)[C@@H]12

>  <INCHI_1.05_RDKIT_2019.09.2>  (43) 
InChI=1S/C10H13NO3S/c1-11-9(13)6-3-5(12)4-7(14-2)8(6)10(11)15/h6-8H,3-4H2,1-2H3/t6-,7-,8-/m1/s1

>  <SUBSTANCE_COMMENT>  (43) 
Hu, Z. Part 1, Thiophene derived annulenes; Part 2, Synthesis and Diels-Alder reactions of monothiono-n-nethylmaleimide. Ph.D. Thesis, The University of Alabama, 1994.

>  <SUBSTANCE_URL>  (43) 
http://library.ua.edu/vwebv/holdingsInfo?bibId=821644

$$$$
