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>  <MOL_ID>
molbank-2024-M1816-s002

>  <DOI>
10.3390/M1816

$$$$

File : molbank-2024-M1816-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1816-s002-mod

>  <DOI>
10.3390/M1816

$$$$

File : molbank-2024-M1815-s004.mol

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>  <MOL_ID>
molbank-2024-M1815-s004

>  <DOI>
10.3390/M1815

$$$$

File : molbank-2024-M1815-s004-mod.mol

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>  <MOL_ID>
molbank-2024-M1815-s004-mod

>  <DOI>
10.3390/M1815

$$$$

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>  <MOL_ID>
molbank-2024-M1815-s003

>  <DOI>
10.3390/M1815

$$$$

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>  <MOL_ID>
molbank-2024-M1815-s003-mod

>  <DOI>
10.3390/M1815

$$$$

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>  <MOL_ID>
molbank-2024-M1815-s002

>  <DOI>
10.3390/M1815

$$$$

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>  <MOL_ID>
molbank-2024-M1815-s002-mod

>  <DOI>
10.3390/M1815

$$$$

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M  END
>  <MOL_ID>
molbank-2024-M1814-s003

>  <DOI>
10.3390/M1814

$$$$

File : molbank-2024-M1814-s003-mod.mol

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M  END
>  <MOL_ID>
molbank-2024-M1814-s003-mod

>  <DOI>
10.3390/M1814

$$$$

File : molbank-2024-M1814-s002.mol

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M  END
>  <MOL_ID>
molbank-2024-M1814-s002

>  <DOI>
10.3390/M1814

$$$$

File : molbank-2024-M1814-s002-mod.mol

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molbank-2024-M1814-s002-mod

>  <DOI>
10.3390/M1814

$$$$

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>  <MOL_ID>
molbank-2024-M1813-s002

>  <DOI>
10.3390/M1813

$$$$

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>  <MOL_ID>
molbank-2024-M1812-s002

>  <DOI>
10.3390/M1812

$$$$

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>  <MOL_ID>
molbank-2024-M1811-s002

>  <DOI>
10.3390/M1811

$$$$

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>  <MOL_ID>
molbank-2024-M1811-s002-mod

>  <DOI>
10.3390/M1811

$$$$

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>  <MOL_ID>
molbank-2024-M1810-s002

>  <DOI>
10.3390/M1810

$$$$

File : molbank-2024-M1810-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1810-s002-mod

>  <DOI>
10.3390/M1810

$$$$

File : molbank-2024-M1809-s002.mol

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>  <MOL_ID>
molbank-2024-M1809-s002

>  <DOI>
10.3390/M1809

$$$$

File : molbank-2024-M1809-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1809-s002-mod

>  <DOI>
10.3390/M1809

$$$$

File : molbank-2024-M1808-s002.mol

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>  <MOL_ID>
molbank-2024-M1808-s002

>  <DOI>
10.3390/M1808

$$$$

File : molbank-2024-M1808-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2024-M1808-s002-mod

>  <DOI>
10.3390/M1808

$$$$

File : molbank-2024-M1806-s002.mol

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M  END
>  <MOL_ID>
molbank-2024-M1806-s002

>  <DOI>
10.3390/M1806

$$$$

File : molbank-2024-M1806-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1806-s002-mod

>  <DOI>
10.3390/M1806

$$$$

File : molbank-2024-M1805-s002.mol

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>  <MOL_ID>
molbank-2024-M1805-s002

>  <DOI>
10.3390/M1805

$$$$

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>  <MOL_ID>
molbank-2024-M1805-s002-mod

>  <DOI>
10.3390/M1805

$$$$

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>  <MOL_ID>
molbank-2024-M1804-s004

>  <DOI>
10.3390/M1804

$$$$

File : molbank-2024-M1804-s004-mod.mol

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>  <MOL_ID>
molbank-2024-M1804-s004-mod

>  <DOI>
10.3390/M1804

$$$$

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molbank-2024-M1804-s003

>  <DOI>
10.3390/M1804

$$$$

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molbank-2024-M1804-s003-mod

>  <DOI>
10.3390/M1804

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>  <MOL_ID>
molbank-2024-M1804-s002

>  <DOI>
10.3390/M1804

$$$$

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molbank-2024-M1804-s002-mod

>  <DOI>
10.3390/M1804

$$$$

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>  <MOL_ID>
molbank-2024-M1803-s002

>  <DOI>
10.3390/M1803

$$$$

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>  <MOL_ID>
molbank-2024-M1803-s002-mod

>  <DOI>
10.3390/M1803

$$$$

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>  <MOL_ID>
molbank-2024-M1802-s002

>  <DOI>
10.3390/M1802

$$$$

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>  <MOL_ID>
molbank-2024-M1802-s002-mod

>  <DOI>
10.3390/M1802

$$$$

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>  <MOL_ID>
molbank-2024-M1801-s002

>  <DOI>
10.3390/M1801

$$$$

File : molbank-2024-M1801-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1801-s002-mod

>  <DOI>
10.3390/M1801

$$$$

File : molbank-2024-M1800-s002.mol

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>  <MOL_ID>
molbank-2024-M1800-s002

>  <DOI>
10.3390/M1800

$$$$

File : molbank-2024-M1800-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1800-s002-mod

>  <DOI>
10.3390/M1800

$$$$

File : molbank-2024-M1799-s002.mol

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>  <MOL_ID>
molbank-2024-M1799-s002

>  <DOI>
10.3390/M1799

$$$$

File : molbank-2024-M1799-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1799-s002-mod

>  <DOI>
10.3390/M1799

$$$$

File : molbank-2024-M1798-s002.mol

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>  <MOL_ID>
molbank-2024-M1798-s002

>  <DOI>
10.3390/M1798

$$$$

File : molbank-2024-M1798-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1798-s002-mod

>  <DOI>
10.3390/M1798

$$$$

File : molbank-2024-M1797-s004.mol

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>  <MOL_ID>
molbank-2024-M1797-s004

>  <DOI>
10.3390/M1797

$$$$

File : molbank-2024-M1797-s004-mod.mol

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>  <MOL_ID>
molbank-2024-M1797-s004-mod

>  <DOI>
10.3390/M1797

$$$$

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>  <MOL_ID>
molbank-2024-M1797-s003

>  <DOI>
10.3390/M1797

$$$$

File : molbank-2024-M1797-s003-mod.mol

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>  <MOL_ID>
molbank-2024-M1797-s003-mod

>  <DOI>
10.3390/M1797

$$$$

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>  <MOL_ID>
molbank-2024-M1797-s002

>  <DOI>
10.3390/M1797

$$$$

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>  <MOL_ID>
molbank-2024-M1797-s002-mod

>  <DOI>
10.3390/M1797

$$$$

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>  <MOL_ID>
molbank-2024-M1796-s002

>  <DOI>
10.3390/M1796

$$$$

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>  <MOL_ID>
molbank-2024-M1796-s002-mod

>  <DOI>
10.3390/M1796

$$$$

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>  <MOL_ID>
molbank-2024-M1795-s002

>  <DOI>
10.3390/M1795

$$$$

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>  <MOL_ID>
molbank-2024-M1795-s002-mod

>  <DOI>
10.3390/M1795

$$$$

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>  <MOL_ID>
molbank-2024-M1794-s002

>  <DOI>
10.3390/M1794

$$$$

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>  <MOL_ID>
molbank-2024-M1794-s002-mod

>  <DOI>
10.3390/M1794

$$$$

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>  <MOL_ID>
molbank-2024-M1793-s002

>  <DOI>
10.3390/M1793

$$$$

File : molbank-2024-M1793-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1793-s002-mod

>  <DOI>
10.3390/M1793

$$$$

File : molbank-2024-M1792-s002.mol

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>  <MOL_ID>
molbank-2024-M1792-s002

>  <DOI>
10.3390/M1792

$$$$

File : molbank-2024-M1792-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1792-s002-mod

>  <DOI>
10.3390/M1792

$$$$

File : molbank-2024-M1791-s002.mol

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>  <MOL_ID>
molbank-2024-M1791-s002

>  <DOI>
10.3390/M1791

$$$$

File : molbank-2024-M1791-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1791-s002-mod

>  <DOI>
10.3390/M1791

$$$$

File : molbank-2024-M1790-s002.mol

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>  <MOL_ID>
molbank-2024-M1790-s002

>  <DOI>
10.3390/M1790

$$$$

File : molbank-2024-M1790-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1790-s002-mod

>  <DOI>
10.3390/M1790

$$$$

File : molbank-2024-M1789-s002.mol

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>  <MOL_ID>
molbank-2024-M1789-s002

>  <DOI>
10.3390/M1789

$$$$

File : molbank-2024-M1789-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1789-s002-mod

>  <DOI>
10.3390/M1789

$$$$

File : molbank-2024-M1788-s002.mol

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>  <MOL_ID>
molbank-2024-M1788-s002

>  <DOI>
10.3390/M1788

$$$$

File : molbank-2024-M1788-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1788-s002-mod

>  <DOI>
10.3390/M1788

$$$$

File : molbank-2024-M1787-s002.mol

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>  <MOL_ID>
molbank-2024-M1787-s002

>  <DOI>
10.3390/M1787

$$$$

File : molbank-2024-M1787-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1787-s002-mod

>  <DOI>
10.3390/M1787

$$$$

File : molbank-2024-M1786-s002.mol

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>  <MOL_ID>
molbank-2024-M1786-s002

>  <DOI>
10.3390/M1786

$$$$

File : molbank-2024-M1786-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1786-s002-mod

>  <DOI>
10.3390/M1786

$$$$

File : molbank-2024-M1785-s002.mol

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>  <MOL_ID>
molbank-2024-M1785-s002

>  <DOI>
10.3390/M1785

$$$$

File : molbank-2024-M1785-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1785-s002-mod

>  <DOI>
10.3390/M1785

$$$$

File : molbank-2024-M1784-s002.mol

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>  <MOL_ID>
molbank-2024-M1784-s002

>  <DOI>
10.3390/M1784

$$$$

File : molbank-2024-M1784-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2024-M1784-s002-mod

>  <DOI>
10.3390/M1784

$$$$

File : molbank-2024-M1783-s002.mol

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M  STY  1   1 DAT
M  SLB  1   1   1
M  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15
M  SAL   1  6  16  17  18  19  20  21
M  SBL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15
M  SBL   1  7  16  17  18  19  20  21  22
M  SDD   1    -9.8131   -4.7195    DA    ALL  1       5
M  SCD   1 (Z)-3-allyl-5-(4-nitrobenzylidene)-2-thioxothiazolidin-4-one
Chemical
M  SCD   1  Formula: C13H10N2O3S2
Exact Mass: 306,01
Molecular Weight: 306,35
El
M  SED   1 emental Analysis: C, 50.97; H, 3.29; N, 9.14; O, 15.67; S, 20.93
M  END
>  <MOL_ID>
molbank-2024-M1783-s002

>  <DOI>
10.3390/M1783

$$$$

File : molbank-2024-M1783-s002-mod.mol

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M  STY  1   1 DAT
M  SLB  1   1   1
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M  SAL   1  6  16  17  18  19  20  21
M  SBL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15
M  SBL   1  7  16  17  18  19  20  21  22
M  SDD   1    -9.8131   -4.7195    DA    ALL  1       5
M  SCD   1 (Z)-3-allyl-5-(4-nitrobenzylidene)-2-thioxothiazolidin-4-one
Chemical
M  SCD   1  Formula: C13H10N2O3S2
Exact Mass: 306,01
Molecular Weight: 306,35
El
M  SED   1 emental Analysis: C, 50.97; H, 3.29; N, 9.14; O, 15.67; S, 20.93
M  END
>  <MOL_ID>
molbank-2024-M1783-s002-mod

>  <DOI>
10.3390/M1783

$$$$

File : molbank-2024-M1782-s002.mol

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>  <MOL_ID>
molbank-2024-M1782-s002

>  <DOI>
10.3390/M1782

$$$$

File : molbank-2024-M1782-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1782-s002-mod

>  <DOI>
10.3390/M1782

$$$$

File : molbank-2024-M1781-s002.mol

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>  <MOL_ID>
molbank-2024-M1781-s002

>  <DOI>
10.3390/M1781

$$$$

File : molbank-2024-M1781-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1781-s002-mod

>  <DOI>
10.3390/M1781

$$$$

File : molbank-2024-M1780-s002.mol

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>  <MOL_ID>
molbank-2024-M1780-s002

>  <DOI>
10.3390/M1780

$$$$

File : molbank-2024-M1780-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1780-s002-mod

>  <DOI>
10.3390/M1780

$$$$

File : molbank-2024-M1779-s009.mol

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>  <MOL_ID>
molbank-2024-M1779-s009

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s009-mod.mol

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>  <MOL_ID>
molbank-2024-M1779-s009-mod

>  <DOI>
10.3390/M1779

$$$$

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>  <MOL_ID>
molbank-2024-M1779-s008

>  <DOI>
10.3390/M1779

$$$$

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>  <MOL_ID>
molbank-2024-M1779-s008-mod

>  <DOI>
10.3390/M1779

$$$$

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>  <MOL_ID>
molbank-2024-M1779-s007

>  <DOI>
10.3390/M1779

$$$$

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>  <MOL_ID>
molbank-2024-M1779-s007-mod

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s006.mol

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>  <MOL_ID>
molbank-2024-M1779-s006

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s006-mod.mol

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>  <MOL_ID>
molbank-2024-M1779-s006-mod

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s005.mol

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>  <MOL_ID>
molbank-2024-M1779-s005

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s005-mod.mol

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>  <MOL_ID>
molbank-2024-M1779-s005-mod

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s004.mol

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>  <MOL_ID>
molbank-2024-M1779-s004

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s004-mod.mol

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>  <MOL_ID>
molbank-2024-M1779-s004-mod

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s003.mol

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>  <MOL_ID>
molbank-2024-M1779-s003

>  <DOI>
10.3390/M1779

$$$$

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molbank-2024-M1779-s003-mod

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s002.mol

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>  <MOL_ID>
molbank-2024-M1779-s002

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1779-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1779-s002-mod

>  <DOI>
10.3390/M1779

$$$$

File : molbank-2024-M1778-s003.mol

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>  <MOL_ID>
molbank-2024-M1778-s003

>  <DOI>
10.3390/M1778

$$$$

File : molbank-2024-M1778-s003-mod.mol

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>  <MOL_ID>
molbank-2024-M1778-s003-mod

>  <DOI>
10.3390/M1778

$$$$

File : molbank-2024-M1778-s002.mol

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>  <MOL_ID>
molbank-2024-M1778-s002

>  <DOI>
10.3390/M1778

$$$$

File : molbank-2024-M1778-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1778-s002-mod

>  <DOI>
10.3390/M1778

$$$$

File : molbank-2024-M1777-s002.mol

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>  <MOL_ID>
molbank-2024-M1777-s002

>  <DOI>
10.3390/M1777

$$$$

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>  <MOL_ID>
molbank-2024-M1777-s002-mod

>  <DOI>
10.3390/M1777

$$$$

File : molbank-2024-M1776-s002.mol

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>  <MOL_ID>
molbank-2024-M1776-s002

>  <DOI>
10.3390/M1776

$$$$

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>  <MOL_ID>
molbank-2024-M1776-s002-mod

>  <DOI>
10.3390/M1776

$$$$

File : molbank-2024-M1775-s002.mol

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>  <MOL_ID>
molbank-2024-M1775-s002

>  <DOI>
10.3390/M1775

$$$$

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>  <MOL_ID>
molbank-2024-M1775-s002-mod

>  <DOI>
10.3390/M1775

$$$$

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 37 38  1  0        0
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 41 31  1  0        0
M  STY  1   1 DAT
M  SLB  1   1   1
M  SDT   1 Text
M  SDD   1    -1.8664   -0.2339    DA    ALL  1       5
M  SED   1 m-CPBA (4 eq.)	DCM, rt, 24 h
M  STY  1   2 DAT
M  SLB  1   2   2
M  SDT   2 Text
M  SDD   2    -6.8239   -3.3626    DA    ALL  1       5
M  SED   2 6a
M  STY  1   3 DAT
M  SLB  1   3   3
M  SDT   3 Text
M  SDD   3     7.0923   -3.3172    DA    ALL  1       5
M  SED   3 8
M  END
>  <MOL_ID>
molbank-2024-M1774-s002

>  <DOI>
10.3390/M1774

$$$$

File : molbank-2024-M1774-s002-mod.mol

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M  SLB  1   1   1
M  SDT   1 Text
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M  SED   1 m-CPBA (4 eq.)	DCM, rt, 24 h
M  STY  1   2 DAT
M  SLB  1   2   2
M  SDT   2 Text
M  SDD   2    -6.8239   -3.3626    DA    ALL  1       5
M  SED   2 6a
M  STY  1   3 DAT
M  SLB  1   3   3
M  SDT   3 Text
M  SDD   3     7.0923   -3.3172    DA    ALL  1       5
M  SED   3 8
M  END
>  <MOL_ID>
molbank-2024-M1774-s002-mod

>  <DOI>
10.3390/M1774

$$$$

File : molbank-2024-M1773-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 15 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.428942 0.206250 0.000000 0
M  V30 2 C -1.428942 -0.618750 0.000000 0
M  V30 3 C -0.714471 -1.031250 0.000000 0
M  V30 4 C -0.000001 -0.618750 0.000000 0
M  V30 5 C -0.000001 0.206250 0.000000 0
M  V30 6 C -0.714471 0.618750 0.000000 0
M  V30 7 C 0.714471 0.618750 0.000000 0
M  V30 8 C 1.428942 0.206250 0.000000 0
M  V30 9 C 2.143413 0.618750 0.000000 0
M  V30 10 O -0.714471 1.443750 0.000000 0
M  V30 11 N -2.143413 0.618750 0.000000 0
M  V30 12 Br -0.714471 -1.856250 0.000000 0
M  V30 13 C -0.000001 1.856250 0.000000 0
M  V30 14 C 0.714470 1.443750 0.000000 0
M  V30 15 C 1.428941 1.856250 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 6 10
M  V30 11 1 1 11
M  V30 12 1 3 12
M  V30 13 1 10 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2024-M1773-s002

>  <DOI>
10.3390/M1773

$$$$

File : molbank-2024-M1773-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 15 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  0.699036 5.175483 -2.096602 0
M  V30 2 C  1.292587 4.807289 -3.294665 0
M  V30 3 C  1.877822 3.560190 -3.421416 0
M  V30 4 C  1.872858 2.679208 -2.355421 0
M  V30 5 C  1.282481 3.040430 -1.157790 0
M  V30 6 C  0.689688 4.284621 -1.025034 0
M  V30 7 C  1.279013 2.076977 0.001001 0
M  V30 8 C  -0.015689 1.305792 0.009221 0
M  V30 9 C  0.002075 -0.004068 0.002017 0
M  V30 10 O  0.103881 4.638557 0.150491 0
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M  V30 13 C  0.930327 5.290972 1.116609 0
M  V30 14 C  0.115427 5.604712 2.344841 0
M  V30 15 C  0.603545 5.358367 3.535284 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 6 1 6 1
M  V30 11 1 1 11
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 12 1 3 12
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M  V30 7 1 5 7
M  V30 10 1 6 10
M  V30 8 1 7 8
M  V30 9 2 8 9
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M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2024-M1773-s002-mod

>  <DOI>
10.3390/M1773

$$$$

File : molbank-2024-M1772-s004.mol

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>  <MOL_ID>
molbank-2024-M1772-s004

>  <DOI>
10.3390/M1772

$$$$

File : molbank-2024-M1772-s004-mod.mol

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>  <MOL_ID>
molbank-2024-M1772-s004-mod

>  <DOI>
10.3390/M1772

$$$$

File : molbank-2024-M1772-s003.mol

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molbank-2024-M1772-s003

>  <DOI>
10.3390/M1772

$$$$

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molbank-2024-M1772-s003-mod

>  <DOI>
10.3390/M1772

$$$$

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>  <MOL_ID>
molbank-2024-M1772-s002

>  <DOI>
10.3390/M1772

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>  <MOL_ID>
molbank-2024-M1772-s002-mod

>  <DOI>
10.3390/M1772

$$$$

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>  <MOL_ID>
molbank-2024-M1771-s002

>  <DOI>
10.3390/M1771

$$$$

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>  <MOL_ID>
molbank-2024-M1771-s002-mod

>  <DOI>
10.3390/M1771

$$$$

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>  <MOL_ID>
molbank-2024-M1770-s002

>  <DOI>
10.3390/M1770

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>  <MOL_ID>
molbank-2024-M1770-s002-mod

>  <DOI>
10.3390/M1770

$$$$

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>  <MOL_ID>
molbank-2024-M1769-s002

>  <DOI>
10.3390/M1769

$$$$

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>  <MOL_ID>
molbank-2024-M1769-s002-mod

>  <DOI>
10.3390/M1769

$$$$

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>  <MOL_ID>
molbank-2024-M1768-s002

>  <DOI>
10.3390/M1768

$$$$

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>  <MOL_ID>
molbank-2024-M1768-s002-mod

>  <DOI>
10.3390/M1768

$$$$

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>  <MOL_ID>
molbank-2024-M1767-s002

>  <DOI>
10.3390/M1767

$$$$

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>  <MOL_ID>
molbank-2024-M1767-s002-mod

>  <DOI>
10.3390/M1767

$$$$

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>  <MOL_ID>
molbank-2024-M1766-s002

>  <DOI>
10.3390/M1766

$$$$

File : molbank-2024-M1766-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1766-s002-mod

>  <DOI>
10.3390/M1766

$$$$

File : molbank-2024-M1765-s002.mol

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>  <MOL_ID>
molbank-2024-M1765-s002

>  <DOI>
10.3390/M1765

$$$$

File : molbank-2024-M1765-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1765-s002-mod

>  <DOI>
10.3390/M1765

$$$$

File : molbank-2024-M1764-s002.mol

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>  <MOL_ID>
molbank-2024-M1764-s002

>  <DOI>
10.3390/M1764

$$$$

File : molbank-2024-M1764-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1764-s002-mod

>  <DOI>
10.3390/M1764

$$$$

File : molbank-2024-M1763-s002.mol

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>  <MOL_ID>
molbank-2024-M1763-s002

>  <DOI>
10.3390/M1763

$$$$

File : molbank-2024-M1763-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1763-s002-mod

>  <DOI>
10.3390/M1763

$$$$

File : molbank-2024-M1761-s002.mol

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>  <MOL_ID>
molbank-2024-M1761-s002

>  <DOI>
10.3390/M1761

$$$$

File : molbank-2024-M1761-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1761-s002-mod

>  <DOI>
10.3390/M1761

$$$$

File : molbank-2024-M1760-s003.mol

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>  <MOL_ID>
molbank-2024-M1760-s003

>  <DOI>
10.3390/M1760

$$$$

File : molbank-2024-M1760-s003-mod.mol

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>  <DOI>
10.3390/M1760

$$$$

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>  <MOL_ID>
molbank-2024-M1760-s002

>  <DOI>
10.3390/M1760

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molbank-2024-M1760-s002-mod

>  <DOI>
10.3390/M1760

$$$$

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>  <MOL_ID>
molbank-2024-M1759-s002

>  <DOI>
10.3390/M1759

$$$$

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>  <MOL_ID>
molbank-2024-M1759-s002-mod

>  <DOI>
10.3390/M1759

$$$$

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>  <MOL_ID>
molbank-2024-M1758-s002

>  <DOI>
10.3390/M1758

$$$$

File : molbank-2024-M1758-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1758-s002-mod

>  <DOI>
10.3390/M1758

$$$$

File : molbank-2024-M1757-s002.mol

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>  <MOL_ID>
molbank-2024-M1757-s002

>  <DOI>
10.3390/M1757

$$$$

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>  <MOL_ID>
molbank-2024-M1757-s002-mod

>  <DOI>
10.3390/M1757

$$$$

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>  <MOL_ID>
molbank-2024-M1756-s002

>  <DOI>
10.3390/M1756

$$$$

File : molbank-2024-M1756-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1756-s002-mod

>  <DOI>
10.3390/M1756

$$$$

File : molbank-2024-M1755-s002.mol

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>  <MOL_ID>
molbank-2024-M1755-s002

>  <DOI>
10.3390/M1755

$$$$

File : molbank-2024-M1755-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2024-M1755-s002-mod

>  <DOI>
10.3390/M1755

$$$$

File : molbank-2024-M1754-s004.mol

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>  <MOL_ID>
molbank-2024-M1754-s004

>  <DOI>
10.3390/M1754

$$$$

File : molbank-2024-M1754-s004-mod.mol

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>  <MOL_ID>
molbank-2024-M1754-s004-mod

>  <DOI>
10.3390/M1754

$$$$

File : molbank-2024-M1754-s003.mol

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>  <MOL_ID>
molbank-2024-M1754-s003

>  <DOI>
10.3390/M1754

$$$$

File : molbank-2024-M1754-s003-mod.mol

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>  <MOL_ID>
molbank-2024-M1754-s003-mod

>  <DOI>
10.3390/M1754

$$$$

File : molbank-2024-M1754-s002.mol

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>  <MOL_ID>
molbank-2024-M1754-s002

>  <DOI>
10.3390/M1754

$$$$

File : molbank-2024-M1754-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1754-s002-mod

>  <DOI>
10.3390/M1754

$$$$

File : molbank-2024-M1753-s002.mol

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>  <MOL_ID>
molbank-2024-M1753-s002

>  <DOI>
10.3390/M1753

$$$$

File : molbank-2024-M1753-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1753-s002-mod

>  <DOI>
10.3390/M1753

$$$$

File : molbank-2024-M1752-s002.mol

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>  <MOL_ID>
molbank-2024-M1752-s002

>  <DOI>
10.3390/M1752

$$$$

File : molbank-2024-M1752-s002-mod.mol

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>  <MOL_ID>
molbank-2024-M1752-s002-mod

>  <DOI>
10.3390/M1752

$$$$

File : molbank-2023-M1751-s002.mol

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>  <MOL_ID>
molbank-2023-M1751-s002

>  <DOI>
10.3390/M1751

$$$$

File : molbank-2023-M1751-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1751-s002-mod

>  <DOI>
10.3390/M1751

$$$$

File : molbank-2023-M1750-s002.mol

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>  <MOL_ID>
molbank-2023-M1750-s002

>  <DOI>
10.3390/M1750

$$$$

File : molbank-2023-M1750-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1750-s002-mod

>  <DOI>
10.3390/M1750

$$$$

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M  END
>  <MOL_ID>
molbank-2023-M1748-s005

>  <DOI>
10.3390/M1748

$$$$

File : molbank-2023-M1748-s005-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1748-s005-mod

>  <DOI>
10.3390/M1748

$$$$

File : molbank-2023-M1748-s004.mol

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M  END
>  <MOL_ID>
molbank-2023-M1748-s004

>  <DOI>
10.3390/M1748

$$$$

File : molbank-2023-M1748-s004-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1748-s004-mod

>  <DOI>
10.3390/M1748

$$$$

File : molbank-2023-M1748-s003.mol

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M  END
>  <MOL_ID>
molbank-2023-M1748-s003

>  <DOI>
10.3390/M1748

$$$$

File : molbank-2023-M1748-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1748-s003-mod

>  <DOI>
10.3390/M1748

$$$$

File : molbank-2023-M1748-s002.mol

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>  <MOL_ID>
molbank-2023-M1748-s002

>  <DOI>
10.3390/M1748

$$$$

File : molbank-2023-M1748-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1748-s002-mod

>  <DOI>
10.3390/M1748

$$$$

File : molbank-2023-M1747-s005.mol

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>  <MOL_ID>
molbank-2023-M1747-s005

>  <DOI>
10.3390/M1747

$$$$

File : molbank-2023-M1747-s005-mod.mol

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molbank-2023-M1747-s005-mod

>  <DOI>
10.3390/M1747

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File : molbank-2023-M1747-s004.mol

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>  <MOL_ID>
molbank-2023-M1747-s004

>  <DOI>
10.3390/M1747

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File : molbank-2023-M1747-s004-mod.mol

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>  <MOL_ID>
molbank-2023-M1747-s004-mod

>  <DOI>
10.3390/M1747

$$$$

File : molbank-2023-M1747-s003.mol

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>  <MOL_ID>
molbank-2023-M1747-s003

>  <DOI>
10.3390/M1747

$$$$

File : molbank-2023-M1747-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1747-s003-mod

>  <DOI>
10.3390/M1747

$$$$

File : molbank-2023-M1747-s002.mol

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>  <MOL_ID>
molbank-2023-M1747-s002

>  <DOI>
10.3390/M1747

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File : molbank-2023-M1747-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1747-s002-mod

>  <DOI>
10.3390/M1747

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molbank-2023-M1746-s002

>  <DOI>
10.3390/M1746

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molbank-2023-M1746-s002-mod

>  <DOI>
10.3390/M1746

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>  <DOI>
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>  <MOL_ID>
molbank-2023-M1744-s002-mod

>  <DOI>
10.3390/M1744

$$$$

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>  <MOL_ID>
molbank-2023-M1745-s009

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1745-s009-mod.mol

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>  <MOL_ID>
molbank-2023-M1745-s009-mod

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1745-s008.mol

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>  <MOL_ID>
molbank-2023-M1745-s008

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1745-s008-mod.mol

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>  <MOL_ID>
molbank-2023-M1745-s008-mod

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1745-s007.mol

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>  <MOL_ID>
molbank-2023-M1745-s007

>  <DOI>
10.3390/M1745

$$$$

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>  <MOL_ID>
molbank-2023-M1745-s007-mod

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1745-s006.mol

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>  <MOL_ID>
molbank-2023-M1745-s006

>  <DOI>
10.3390/M1745

$$$$

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>  <MOL_ID>
molbank-2023-M1745-s006-mod

>  <DOI>
10.3390/M1745

$$$$

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>  <MOL_ID>
molbank-2023-M1745-s005

>  <DOI>
10.3390/M1745

$$$$

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>  <MOL_ID>
molbank-2023-M1745-s005-mod

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1745-s004.mol

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>  <MOL_ID>
molbank-2023-M1745-s004

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1745-s004-mod.mol

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>  <MOL_ID>
molbank-2023-M1745-s004-mod

>  <DOI>
10.3390/M1745

$$$$

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>  <MOL_ID>
molbank-2023-M1745-s003

>  <DOI>
10.3390/M1745

$$$$

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>  <MOL_ID>
molbank-2023-M1745-s003-mod

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1745-s002.mol

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>  <MOL_ID>
molbank-2023-M1745-s002

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1745-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1745-s002-mod

>  <DOI>
10.3390/M1745

$$$$

File : molbank-2023-M1743-s005.mol

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>  <MOL_ID>
molbank-2023-M1743-s005

>  <DOI>
10.3390/M1743

$$$$

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>  <MOL_ID>
molbank-2023-M1743-s005-mod

>  <DOI>
10.3390/M1743

$$$$

File : molbank-2023-M1743-s004.mol

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>  <MOL_ID>
molbank-2023-M1743-s004

>  <DOI>
10.3390/M1743

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>  <MOL_ID>
molbank-2023-M1743-s004-mod

>  <DOI>
10.3390/M1743

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M1743

$$$$

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>  <MOL_ID>
molbank-2023-M1743-s003-mod

>  <DOI>
10.3390/M1743

$$$$

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>  <MOL_ID>
molbank-2023-M1743-s002

>  <DOI>
10.3390/M1743

$$$$

File : molbank-2023-M1743-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1743-s002-mod

>  <DOI>
10.3390/M1743

$$$$

File : molbank-2023-M1742-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1742-s002

>  <DOI>
10.3390/M1742

$$$$

File : molbank-2023-M1742-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1742-s002-mod

>  <DOI>
10.3390/M1742

$$$$

File : molbank-2023-M1741-s002.mol

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>  <MOL_ID>
molbank-2023-M1741-s002

>  <DOI>
10.3390/M1741

$$$$

File : molbank-2023-M1741-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1741-s002-mod

>  <DOI>
10.3390/M1741

$$$$

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>  <MOL_ID>
molbank-2023-M1739-s004

>  <DOI>
10.3390/M1739

$$$$

File : molbank-2023-M1739-s004-mod.mol

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>  <MOL_ID>
molbank-2023-M1739-s004-mod

>  <DOI>
10.3390/M1739

$$$$

File : molbank-2023-M1739-s003.mol

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>  <MOL_ID>
molbank-2023-M1739-s003

>  <DOI>
10.3390/M1739

$$$$

File : molbank-2023-M1739-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1739-s003-mod

>  <DOI>
10.3390/M1739

$$$$

File : molbank-2023-M1739-s002.mol

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>  <MOL_ID>
molbank-2023-M1739-s002

>  <DOI>
10.3390/M1739

$$$$

File : molbank-2023-M1739-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1739-s002-mod

>  <DOI>
10.3390/M1739

$$$$

File : molbank-2023-M1738-s002.mol

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>  <MOL_ID>
molbank-2023-M1738-s002

>  <DOI>
10.3390/M1738

$$$$

File : molbank-2023-M1738-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1738-s002-mod

>  <DOI>
10.3390/M1738

$$$$

File : molbank-2023-M1736-s002.mol

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>  <MOL_ID>
molbank-2023-M1736-s002

>  <DOI>
10.3390/M1736

$$$$

File : molbank-2023-M1736-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1736-s002-mod

>  <DOI>
10.3390/M1736

$$$$

File : molbank-2023-M1735-s002.mol

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>  <MOL_ID>
molbank-2023-M1735-s002

>  <DOI>
10.3390/M1735

$$$$

File : molbank-2023-M1735-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1735-s002-mod

>  <DOI>
10.3390/M1735

$$$$

File : molbank-2023-M1734-s002.mol

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molbank-2023-M1734-s002

>  <DOI>
10.3390/M1734

$$$$

File : molbank-2023-M1734-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1734-s002-mod

>  <DOI>
10.3390/M1734

$$$$

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>  <MOL_ID>
molbank-2023-M1733-s002

>  <DOI>
10.3390/M1733

$$$$

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>  <MOL_ID>
molbank-2023-M1733-s002-mod

>  <DOI>
10.3390/M1733

$$$$

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molbank-2023-M1732-s002-mod

>  <DOI>
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molbank-2023-M1731-s002

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molbank-2023-M1731-s002-mod

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molbank-2023-M1730-s002

>  <DOI>
10.3390/M1730

$$$$

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molbank-2023-M1730-s002-mod

>  <DOI>
10.3390/M1730

$$$$

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>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2023-M1729-s002-mod

>  <DOI>
10.3390/M1729

$$$$

File : molbank-2023-M1728-s002.mol

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>  <MOL_ID>
molbank-2023-M1728-s002

>  <DOI>
10.3390/M1728

$$$$

File : molbank-2023-M1728-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1728-s002-mod

>  <DOI>
10.3390/M1728

$$$$

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>  <MOL_ID>
molbank-2023-M1727-s002

>  <DOI>
10.3390/M1727

$$$$

File : molbank-2023-M1727-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1727-s002-mod

>  <DOI>
10.3390/M1727

$$$$

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>  <MOL_ID>
molbank-2023-M1726-s002

>  <DOI>
10.3390/M1726

$$$$

File : molbank-2023-M1726-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1726-s002-mod

>  <DOI>
10.3390/M1726

$$$$

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>  <MOL_ID>
molbank-2023-M1725-s002

>  <DOI>
10.3390/M1725

$$$$

File : molbank-2023-M1725-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1725-s002-mod

>  <DOI>
10.3390/M1725

$$$$

File : molbank-2023-M1724-s002.mol

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>  <MOL_ID>
molbank-2023-M1724-s002

>  <DOI>
10.3390/M1724

$$$$

File : molbank-2023-M1724-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1724-s002-mod

>  <DOI>
10.3390/M1724

$$$$

File : molbank-2023-M1723-s002.mol

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M  SMT   1 ^(HSO\s4\n)\s2
M  END
>  <MOL_ID>
molbank-2023-M1723-s002

>  <DOI>
10.3390/M1723

$$$$

File : molbank-2023-M1723-s002-mod.mol

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M  SMT   1 ^(HSO\s4\n)\s2
M  END
>  <MOL_ID>
molbank-2023-M1723-s002-mod

>  <DOI>
10.3390/M1723

$$$$

File : molbank-2023-M1722-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1722-s002

>  <DOI>
10.3390/M1722

$$$$

File : molbank-2023-M1722-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1722-s002-mod

>  <DOI>
10.3390/M1722

$$$$

File : molbank-2023-M1721-s002.mol

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>  <MOL_ID>
molbank-2023-M1721-s002

>  <DOI>
10.3390/M1721

$$$$

File : molbank-2023-M1721-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1721-s002-mod

>  <DOI>
10.3390/M1721

$$$$

File : molbank-2023-M1720-s002.mol

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>  <MOL_ID>
molbank-2023-M1720-s002

>  <DOI>
10.3390/M1720

$$$$

File : molbank-2023-M1720-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1720-s002-mod

>  <DOI>
10.3390/M1720

$$$$

File : molbank-2023-M1719-s004.mol

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>  <MOL_ID>
molbank-2023-M1719-s004

>  <DOI>
10.3390/M1719

$$$$

File : molbank-2023-M1719-s004-mod.mol

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>  <MOL_ID>
molbank-2023-M1719-s004-mod

>  <DOI>
10.3390/M1719

$$$$

File : molbank-2023-M1719-s003.mol

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>  <MOL_ID>
molbank-2023-M1719-s003

>  <DOI>
10.3390/M1719

$$$$

File : molbank-2023-M1719-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1719-s003-mod

>  <DOI>
10.3390/M1719

$$$$

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>  <MOL_ID>
molbank-2023-M1719-s002

>  <DOI>
10.3390/M1719

$$$$

File : molbank-2023-M1719-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1719-s002-mod

>  <DOI>
10.3390/M1719

$$$$

File : molbank-2023-M1718-s003.mol

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M  SLB  1   1   1
M  SAL   1  4  32  33  34  35
M  SBL   1  1  22
M  SMT   1 CF3
M  SBV   1  22    0.7145   -0.4125
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  36  37  38  39
M  SBL   2  1  26
M  SMT   2 CF3
M  SBV   2  26    0.0000    0.8250
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  71  72  73  74
M  SBL   3  1  46
M  SMT   3 CF3
M  SBV   3  46    0.0000    0.8250
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  75  76  77  78
M  SBL   4  1  50
M  SMT   4 CF3
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M  STY  1   5 DAT
M  SLB  1   5   5
M  SDT   5 Text
M  SDD   5   -10.7901   -2.7820    DA    ALL  1       5
M  SED   5 8
M  STY  1   6 DAT
M  SLB  1   6   6
M  SDT   6 Text
M  SDD   6    -7.7258    0.0562    DA    ALL  1       5
M  SED   6 +
M  STY  1   7 DAT
M  SLB  1   7   7
M  SDT   7 Text
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M  SED   7 4a; n = 1	4b; n = 0
M  STY  1   8 DAT
M  SLB  1   8   8
M  SDT   8 Text
M  SDD   8     9.4887   -4.8874    DA    ALL  1       5
M  SED   8 9
M  STY  1   9 DAT
M  SLB  1   9   9
M  SDT   9 Text
M  SDD   9     0.8608    1.2256    DA    ALL  1       5
M  SED   9 reductive	amination
M  STY  1  10 DAT
M  SLB  1  10  10
M  SDT  10 Text
M  SDD  10     1.6041   -2.1689    DA    ALL  1       5
M  SED  10 n = 0, 1
M  STY  1  11 DAT
M  SLB  1  11  11
M  SDT  11 Text
M  SDD  11    -2.2697   -0.0307    DA    ALL  1       5
M  SED  11 n
M  STY  1  12 DAT
M  SLB  1  12  12
M  SDT  12 Text
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M  SLB  1  13  13
M  SAL  13  1  46
M  SBL  13  1  57
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M  SDI  13  4   10.2503   -1.3455   10.2503   -0.8836
M  STY  1  14 GEN
M  SLB  1  14  14
M  SAL  14  1  23
M  SBL  14  1  33
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M  SDI  14  4   -2.3940    0.5098   -2.3940    0.0479
M  END
>  <MOL_ID>
molbank-2023-M1718-s003

>  <DOI>
10.3390/M1718

$$$$

File : molbank-2023-M1718-s003-mod.mol

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M  SDT   5 Text
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M  STY  1   6 DAT
M  SLB  1   6   6
M  SDT   6 Text
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M  SED   6 +
M  STY  1   7 DAT
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M  SDT   7 Text
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M  SDT   8 Text
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M  SDT   9 Text
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M  SED  12 n
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M  SAL  14  1  23
M  SBL  14  1  33
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M  SDI  14  4   -2.3940    0.5098   -2.3940    0.0479
M  END
>  <MOL_ID>
molbank-2023-M1718-s003-mod

>  <DOI>
10.3390/M1718

$$$$

File : molbank-2023-M1718-s002.mol

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M  CHG  8  47   1  49  -1  72   1  74  -1  97   1  99  -1 121   1 123  -1
M  CHG  4 143   1 145  -1 154   1 156  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  16  17  18  19
M  SBL   1  1   4
M  SMT   1 CF3
M  SBV   1   4    0.7145   -0.4125
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  20  21  22  23
M  SBL   2  1   8
M  SMT   2 CF3
M  SBV   2   8    0.0000    0.8250
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  32  33  34  35
M  SBL   3  1  28
M  SMT   3 CF3
M  SBV   3  28    0.7145   -0.4125
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  36  37  38  39
M  SBL   4  1  32
M  SMT   4 CF3
M  SBV   4  32    0.0000    0.8250
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  3  47  48  49
M  SBL   5  1  43
M  SMT   5 NO2
M  SBV   5  43    0.7145   -0.4125
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  4  64  65  66  67
M  SBL   6  1  54
M  SMT   6 CF3
M  SBV   6  54    0.7145   -0.4125
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  4  68  69  70  71
M  SBL   7  1  58
M  SMT   7 CF3
M  SBV   7  58    0.0000    0.8250
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  3  72  73  74
M  SBL   8  1  61
M  SMT   8 NO2
M  SBV   8  61    0.7145   -0.4125
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  4  82  83  84  85
M  SBL   9  1  80
M  SMT   9 CF3
M  SBV   9  80    0.7120   -0.4111
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  4  86  87  88  89
M  SBL  10  1  84
M  SMT  10 CF3
M  SBV  10  84    0.0000    0.8221
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  3  97  98  99
M  SBL  11  1  94
M  SMT  11 NO2
M  SBV  11  94    0.7145   -0.4125
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  4 113 114 115 116
M  SBL  12  1 105
M  SMT  12 CF3
M  SBV  12 105    0.7120    0.4111
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  4 117 118 119 120
M  SBL  13  1 109
M  SMT  13 CF3
M  SBV  13 109   -0.7120    0.4111
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14  3 121 122 123
M  SBL  14  1 112
M  SMT  14 NO2
M  SBV  14 112    0.7120   -0.4111
M  STY  1  15 SUP
M  SLB  1  15  15
M  SAL  15  3 143 144 145
M  SBL  15  1 129
M  SMT  15 NO2
M  SBV  15 129    0.7144    0.4125
M  STY  1  16 SUP
M  SLB  1  16  16
M  SAL  16  4 146 147 148 149
M  SBL  16  1 133
M  SMT  16 CF3
M  SBV  16 133    0.0000    0.8250
M  STY  1  17 SUP
M  SLB  1  17  17
M  SAL  17  4 150 151 152 153
M  SBL  17  1 137
M  SMT  17 CF3
M  SBV  17 137    0.7148   -0.4125
M  STY  1  18 SUP
M  SLB  1  18  18
M  SAL  18  3 154 155 156
M  SBL  18  1 140
M  SMT  18 NO2
M  SBV  18 140    0.0000   -0.8250
M  STY  1  19 DAT
M  SLB  1  19  19
M  SDT  19 Text
M  SDD  19    12.0297    0.2960    DA    ALL  1       5
M  SED  19 4a
M  STY  1  20 DAT
M  SLB  1  20  20
M  SDT  20 Text
M  SDD  20   -13.2118    1.2127    DA    ALL  1       5
M  SED  20 2
M  STY  1  21 DAT
M  SLB  1  21  21
M  SDT  21 Text
M  SDD  21   -10.7522    3.9248    DA    ALL  1       5
M  SED  21 +
M  STY  1  22 DAT
M  SLB  1  22  22
M  SDT  22 Text
M  SDD  22    -8.3861    1.2127    DA    ALL  1       5
M  SED  22 1
M  STY  1  23 DAT
M  SLB  1  23  23
M  SDT  23 Text
M  SDD  23     1.3899    0.2960    DA    ALL  1       5
M  SED  23 3
M  STY  1  24 DAT
M  SLB  1  24  24
M  SDT  24 Text
M  SDD  24    -1.3524   -7.9071    DA    ALL  1       5
M  SED  24 5
M  STY  1  25 DAT
M  SLB  1  25  25
M  SDT  25 Text
M  SDD  25     1.0213   -4.5019    DA    ALL  1       5
M  SED  25 +
M  STY  1  26 DAT
M  SLB  1  26  26
M  SDT  26 Text
M  SDD  26     3.2585   -7.9071    DA    ALL  1       5
M  SED  26 1
M  STY  1  27 DAT
M  SLB  1  27  27
M  SDT  27 Text
M  SDD  27    13.1060   -7.9071    DA    ALL  1       5
M  SED  27 6
M  STY  1  28 DAT
M  SLB  1  28  28
M  SDT  28 Text
M  SDD  28   -12.4993   -7.9071    DA    ALL  1       5
M  SED  28 7
M  STY  1  29 DAT
M  SLB  1  29  29
M  SDT  29 Text
M  SDD  29    -8.1719   -2.4569    DA    ALL  1       5
M  SED  29 DMF	K2CO3, NaOH	72 h, 25°C
M  STY  1  30 DAT
M  SLB  1  30  30
M  SDT  30 Text
M  SDD  30     5.3086    5.0779    DA    ALL  1       5
M  SED  30 EtOH, Pd-C	6 h, 25°C
M  STY  1  31 DAT
M  SLB  1  31  31
M  SDT  31 Text
M  SDD  31    -5.7781    5.2331    DA    ALL  1       5
M  SED  31 K2CO3, DMF	72 h, 25°C
M  STY  1  32 DAT
M  SLB  1  32  32
M  SDT  32 Text
M  SDD  32     5.9004   -2.4569    DA    ALL  1       5
M  SED  32 DMF	K2CO3, NaOH	72 h, 25°C
M  STY  1  33 DAT
M  SLB  1  33  33
M  SDT  33 Text
M  SDD  33     6.0598   -0.5991    DA    ALL  1       5
M  END
>  <MOL_ID>
molbank-2023-M1718-s002

>  <DOI>
10.3390/M1718

$$$$

File : molbank-2023-M1718-s002-mod.mol

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M  CHG  8  47   1  49  -1  72   1  74  -1  97   1  99  -1 121   1 123  -1
M  CHG  4 143   1 145  -1 154   1 156  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  16  17  18  19
M  SBL   1  1   4
M  SMT   1 CF3
M  SBV   1   4    0.7145   -0.4125
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  20  21  22  23
M  SBL   2  1   8
M  SMT   2 CF3
M  SBV   2   8    0.0000    0.8250
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  32  33  34  35
M  SBL   3  1  28
M  SMT   3 CF3
M  SBV   3  28    0.7145   -0.4125
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  36  37  38  39
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M  SLB  1   5   5
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M  SBL   5  1  43
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M  SMT  18 NO2
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M  SDT  19 Text
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M  SED  19 4a
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M  STY  1  21 DAT
M  SLB  1  21  21
M  SDT  21 Text
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M  STY  1  22 DAT
M  SLB  1  22  22
M  SDT  22 Text
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M  SED  22 1
M  STY  1  23 DAT
M  SLB  1  23  23
M  SDT  23 Text
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M  SED  23 3
M  STY  1  24 DAT
M  SLB  1  24  24
M  SDT  24 Text
M  SDD  24    -1.3524   -7.9071    DA    ALL  1       5
M  SED  24 5
M  STY  1  25 DAT
M  SLB  1  25  25
M  SDT  25 Text
M  SDD  25     1.0213   -4.5019    DA    ALL  1       5
M  SED  25 +
M  STY  1  26 DAT
M  SLB  1  26  26
M  SDT  26 Text
M  SDD  26     3.2585   -7.9071    DA    ALL  1       5
M  SED  26 1
M  STY  1  27 DAT
M  SLB  1  27  27
M  SDT  27 Text
M  SDD  27    13.1060   -7.9071    DA    ALL  1       5
M  SED  27 6
M  STY  1  28 DAT
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M  SDT  28 Text
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M  SED  28 7
M  STY  1  29 DAT
M  SLB  1  29  29
M  SDT  29 Text
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M  STY  1  30 DAT
M  SLB  1  30  30
M  SDT  30 Text
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M  SED  30 EtOH, Pd-C	6 h, 25°C
M  STY  1  31 DAT
M  SLB  1  31  31
M  SDT  31 Text
M  SDD  31    -5.7781    5.2331    DA    ALL  1       5
M  SED  31 K2CO3, DMF	72 h, 25°C
M  STY  1  32 DAT
M  SLB  1  32  32
M  SDT  32 Text
M  SDD  32     5.9004   -2.4569    DA    ALL  1       5
M  SED  32 DMF	K2CO3, NaOH	72 h, 25°C
M  STY  1  33 DAT
M  SLB  1  33  33
M  SDT  33 Text
M  SDD  33     6.0598   -0.5991    DA    ALL  1       5
M  END
>  <MOL_ID>
molbank-2023-M1718-s002-mod

>  <DOI>
10.3390/M1718

$$$$

File : molbank-2023-M1717-s002.mol

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>  <MOL_ID>
molbank-2023-M1717-s002

>  <DOI>
10.3390/M1717

$$$$

File : molbank-2023-M1717-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1717-s002-mod

>  <DOI>
10.3390/M1717

$$$$

File : molbank-2023-M1716-s002.mol

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>  <MOL_ID>
molbank-2023-M1716-s002

>  <DOI>
10.3390/M1716

$$$$

File : molbank-2023-M1716-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1716-s002-mod

>  <DOI>
10.3390/M1716

$$$$

File : molbank-2023-M1715-s003.mol

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>  <MOL_ID>
molbank-2023-M1715-s003

>  <DOI>
10.3390/M1715

$$$$

File : molbank-2023-M1715-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1715-s003-mod

>  <DOI>
10.3390/M1715

$$$$

File : molbank-2023-M1715-s002.mol

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>  <MOL_ID>
molbank-2023-M1715-s002

>  <DOI>
10.3390/M1715

$$$$

File : molbank-2023-M1715-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1715-s002-mod

>  <DOI>
10.3390/M1715

$$$$

File : molbank-2023-M1714-s002.mol

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>  <MOL_ID>
molbank-2023-M1714-s002

>  <DOI>
10.3390/M1714

$$$$

File : molbank-2023-M1714-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1714-s002-mod

>  <DOI>
10.3390/M1714

$$$$

File : molbank-2023-M1713-s002.mol

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  14   1  15  -1
M  END
>  <MOL_ID>
molbank-2023-M1713-s002

>  <DOI>
10.3390/M1713

$$$$

File : molbank-2023-M1713-s002-mod.mol

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  14   1  15  -1
M  END
>  <MOL_ID>
molbank-2023-M1713-s002-mod

>  <DOI>
10.3390/M1713

$$$$

File : molbank-2023-M1712-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 36 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 29.014045 -9.552560 0.000000 0
M  V30 2 C 29.014045 -10.332772 0.000000 0
M  V30 3 C 29.689704 -10.722816 0.000000 0 HCOUNT=1
M  V30 4 C 30.365365 -10.332772 0.000000 0
M  V30 5 C 30.365365 -9.552560 0.000000 0
M  V30 6 C 29.689704 -9.162395 0.000000 0 HCOUNT=2
M  V30 7 C 31.041025 -9.162395 0.000000 0 HCOUNT=1
M  V30 8 C 31.716684 -9.552560 0.000000 0 HCOUNT=1
M  V30 9 C 31.716684 -10.332772 0.000000 0 HCOUNT=2
M  V30 10 C 31.041025 -10.722816 0.000000 0 HCOUNT=2
M  V30 11 C 32.392341 -9.162395 0.000000 0 HCOUNT=1
M  V30 12 C 32.392341 -8.382184 0.000000 0
M  V30 13 C 31.716684 -7.992018 0.000000 0 HCOUNT=2
M  V30 14 C 31.041025 -8.382184 0.000000 0 HCOUNT=2
M  V30 15 C 33.134117 -8.141050 0.000000 0 HCOUNT=1
M  V30 16 C 33.593059 -8.772350 0.000000 0 HCOUNT=2
M  V30 17 C 33.134117 -9.403529 0.000000 0 HCOUNT=2
M  V30 18 C 33.375251 -7.398792 0.000000 0 HCOUNT=1
M  V30 19 C 32.853458 -6.818983 0.000000 0 HCOUNT=3
M  V30 20 R 34.138660 -7.236827 0.000000 0
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M  V30 25 C 27.662244 -9.552560 0.000000 0
M  V30 26 C 28.337903 -9.162395 0.000000 0
M  V30 27 C 28.337665 -8.382184 0.000000 0 HCOUNT=3
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M  V30 29 C 26.310926 -9.552560 0.000000 0 HCOUNT=1
M  V30 30 C 26.310926 -10.332772 0.000000 0 HCOUNT=1
M  V30 31 C 26.986585 -10.722816 0.000000 0 HCOUNT=1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 7 5
M  V30 8 1 8 7
M  V30 9 1 9 8
M  V30 10 1 10 9
M  V30 11 1 4 10
M  V30 12 1 8 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 14 7
M  V30 17 1 15 12
M  V30 18 1 16 15
M  V30 19 1 17 16
M  V30 20 1 11 17
M  V30 21 1 15 18 CFG=1
M  V30 22 1 18 19 CFG=3
M  V30 23 1 18 20
M  V30 24 1 12 21 CFG=1
M  V30 25 1 5 22 CFG=1
M  V30 26 1 23 2
M  V30 27 2 24 23
M  V30 28 1 25 24
M  V30 29 2 26 25
M  V30 30 1 1 26
M  V30 31 1 26 27
M  V30 32 1 25 28
M  V30 33 2 28 29
M  V30 34 1 29 30
M  V30 35 2 30 31
M  V30 36 1 31 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1712-s003

>  <DOI>
10.3390/M1712

$$$$

File : molbank-2023-M1712-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 36 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  0.234809 -4.096315 0.324248 0
M  V30 2 C  1.427762 -4.724103 0.735137 0
M  V30 3 C  2.617354 -3.891164 1.010419 0 HCOUNT=1
M  V30 4 C  2.481140 -2.592066 1.231352 0
M  V30 5 C  1.117005 -1.947410 1.202948 0
M  V30 6 C  0.232628 -2.600656 0.142927 0 HCOUNT=2
M  V30 7 C  1.305498 -0.460243 0.886777 0 HCOUNT=1
M  V30 8 C  2.459887 -0.316330 -0.106834 0 HCOUNT=1
M  V30 9 C  3.796374 -0.573921 0.565925 0 HCOUNT=2
M  V30 10 C  3.693395 -1.748788 1.537198 0 HCOUNT=2
M  V30 11 C  2.373834 0.998377 -0.824648 0 HCOUNT=1
M  V30 12 C  1.607063 2.068888 -0.022719 0
M  V30 13 C  0.164126 1.669260 0.169594 0 HCOUNT=2
M  V30 14 C  0.037613 0.144187 0.292892 0 HCOUNT=2
M  V30 15 C  1.802479 3.303917 -0.929226 0 HCOUNT=1
M  V30 16 C  3.254438 3.164020 -1.448065 0 HCOUNT=2
M  V30 17 C  3.700331 1.711340 -1.127044 0 HCOUNT=2
M  V30 18 C  1.650385 4.578584 -0.101880 0 HCOUNT=1
M  V30 19 C  0.210199 4.690517 0.402337 0 HCOUNT=3
M  V30 20 R  1.988861 5.817109 -0.987932 0
M  V30 21 C  2.269024 2.389013 1.318515 0 HCOUNT=3
M  V30 22 C  0.460883 -2.094241 2.579015 0 HCOUNT=3
M  V30 23 N  1.492016 -6.032400 0.900830 0
M  V30 24 C  0.421587 -6.808202 0.720532 0
M  V30 25 C  -0.812513 -6.236088 0.317294 0
M  V30 26 C  -0.875934 -4.844810 0.082955 0
M  V30 27 C  -2.143088 -4.216642 -0.440495 0 HCOUNT=3
M  V30 28 C  -1.935002 -7.064975 0.173099 0 HCOUNT=1
M  V30 29 C  -1.824597 -8.404245 0.406348 0 HCOUNT=1
M  V30 30 C  -0.609252 -8.967872 0.785767 0 HCOUNT=1
M  V30 31 C  0.500305 -8.195837 0.938929 0 HCOUNT=1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 30 1 1 26
M  V30 2 1 2 3
M  V30 26 1 23 2
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 11 1 4 10
M  V30 5 1 5 6
M  V30 7 1 7 5
M  V30 25 1 5 22
M  V30 8 1 8 7
M  V30 16 1 14 7
M  V30 9 1 9 8
M  V30 12 1 8 11
M  V30 10 1 10 9
M  V30 13 1 11 12
M  V30 20 1 11 17
M  V30 14 1 12 13
M  V30 17 1 15 12
M  V30 24 1 12 21
M  V30 15 1 13 14
M  V30 18 1 16 15
M  V30 21 1 15 18
M  V30 19 1 17 16
M  V30 22 1 18 19
M  V30 23 1 18 20
M  V30 27 2 24 23
M  V30 28 1 25 24
M  V30 36 1 31 24
M  V30 29 2 26 25
M  V30 32 1 25 28
M  V30 31 1 26 27
M  V30 33 2 28 29
M  V30 34 1 29 30
M  V30 35 2 30 31
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1712-s003-mod

>  <DOI>
10.3390/M1712

$$$$

File : molbank-2023-M1712-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 36 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 21.245914 -7.669351 0.000000 0 HCOUNT=2
M  V30 2 C 20.561838 -8.044134 0.000000 0
M  V30 3 C 20.544557 -8.823420 0.000000 0
M  V30 4 C 21.211240 -9.228529 0.000000 0
M  V30 5 C 21.895320 -8.853747 0.000000 0
M  V30 6 C 21.912599 -8.073856 0.000000 0 HCOUNT=2
M  V30 7 C 22.561399 -9.258975 0.000000 0 HCOUNT=1
M  V30 8 C 22.544124 -10.038263 0.000000 0 HCOUNT=1
M  V30 9 C 21.860040 -10.413045 0.000000 0 HCOUNT=2
M  V30 10 C 21.193964 -10.008542 0.000000 0 HCOUNT=1
M  V30 11 C 23.210805 -10.443371 0.000000 0 HCOUNT=1
M  V30 12 C 23.894887 -10.038263 0.000000 0
M  V30 13 C 23.894887 -9.258975 0.000000 0 HCOUNT=2
M  V30 14 C 23.210805 -8.853747 0.000000 0 HCOUNT=2
M  V30 15 C 24.491134 -10.563586 0.000000 0 HCOUNT=1
M  V30 16 C 24.175914 -11.293700 0.000000 0 HCOUNT=2
M  V30 17 C 23.384666 -11.219033 0.000000 0 HCOUNT=2
M  V30 18 C 25.252174 -10.393594 0.000000 0 HCOUNT=1
M  V30 19 C 25.454185 -9.640162 0.000000 0 HCOUNT=3
M  V30 20 R 25.860864 -10.880979 0.000000 0
M  V30 21 C 24.605428 -9.717123 0.000000 0 HCOUNT=3
M  V30 22 C 22.579282 -8.478963 0.000000 0 HCOUNT=3
M  V30 23 C 19.860475 -9.198204 0.000000 0
M  V30 24 C 19.194276 -8.793095 0.000000 0
M  V30 25 C 19.211675 -8.013809 0.000000 0
M  V30 26 N 19.895633 -7.639025 0.000000 0
M  V30 27 C 18.544994 -7.608699 0.000000 0 HCOUNT=1
M  V30 28 C 17.860914 -8.013809 0.000000 0 HCOUNT=1
M  V30 29 C 17.860914 -8.793095 0.000000 0 HCOUNT=1
M  V30 30 C 18.544994 -9.198204 0.000000 0 HCOUNT=1
M  V30 31 C 19.883794 -9.856308 0.000000 0 HCOUNT=3
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 7 5
M  V30 8 1 8 7
M  V30 9 1 9 8
M  V30 10 1 10 9
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M  V30 12 1 8 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 14 7
M  V30 17 1 15 12
M  V30 18 1 16 15
M  V30 19 1 17 16
M  V30 20 1 11 17
M  V30 21 1 15 18 CFG=1
M  V30 22 1 18 19 CFG=3
M  V30 23 1 18 20
M  V30 24 1 12 21 CFG=1
M  V30 25 1 5 22 CFG=1
M  V30 26 1 23 3
M  V30 27 2 24 23
M  V30 28 1 25 24
M  V30 29 2 26 25
M  V30 30 1 2 26
M  V30 31 1 25 27
M  V30 32 2 27 28
M  V30 33 1 28 29
M  V30 34 2 29 30
M  V30 35 1 30 24
M  V30 36 1 23 31
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1712-s002

>  <DOI>
10.3390/M1712

$$$$

File : molbank-2023-M1712-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 36 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C  3.958106 1.182709 -0.121921 0
M  V30 3 C  3.857161 2.567040 0.133479 0
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M  V30 6 C  6.494172 1.310930 -0.015779 0 HCOUNT=2
M  V30 7 C  7.572705 3.588684 -0.199500 0 HCOUNT=1
M  V30 8 C  7.628279 4.126705 1.232985 0 HCOUNT=1
M  V30 9 C  6.471210 5.110381 1.399752 0 HCOUNT=2
M  V30 10 C  5.202233 4.310092 1.195835 0 HCOUNT=1
M  V30 11 C  8.979705 4.673374 1.548069 0 HCOUNT=1
M  V30 12 C  9.810470 5.016175 0.294425 0
M  V30 13 C  10.058002 3.797971 -0.556444 0 HCOUNT=2
M  V30 14 C  8.855281 2.840894 -0.520231 0 HCOUNT=2
M  V30 15 C  11.077556 5.601064 0.957137 0 HCOUNT=1
M  V30 16 C  10.522729 6.437461 2.137407 0 HCOUNT=2
M  V30 17 C  9.050176 5.987058 2.342028 0 HCOUNT=2
M  V30 18 C  11.812028 6.497178 -0.037168 0 HCOUNT=1
M  V30 19 C  12.461148 5.632730 -1.119884 0 HCOUNT=3
M  V30 20 R  12.914548 7.309041 0.710447 0
M  V30 21 C  9.191738 6.145893 -0.529843 0 HCOUNT=3
M  V30 22 C  5.983341 2.838441 -1.893243 0 HCOUNT=3
M  V30 23 C  2.613623 3.153553 0.242786 0
M  V30 24 C  1.480164 2.317058 0.288663 0
M  V30 25 C  1.653392 0.929888 0.047643 0
M  V30 26 N  2.874269 0.433914 -0.146943 0
M  V30 27 C  0.524833 0.090970 0.018636 0 HCOUNT=1
M  V30 28 C  -0.708083 0.610695 0.263643 0 HCOUNT=1
M  V30 29 C  -0.873369 1.965970 0.538836 0 HCOUNT=1
M  V30 30 C  0.195990 2.812080 0.565129 0 HCOUNT=1
M  V30 31 C  2.424093 4.652826 0.228833 0 HCOUNT=3
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 6 1 6 1
M  V30 2 2 2 3
M  V30 30 1 2 26
M  V30 3 1 3 4
M  V30 26 1 23 3
M  V30 4 1 4 5
M  V30 11 2 4 10
M  V30 5 1 5 6
M  V30 7 1 7 5
M  V30 25 1 5 22
M  V30 8 1 8 7
M  V30 16 1 14 7
M  V30 9 1 9 8
M  V30 12 1 8 11
M  V30 10 1 10 9
M  V30 13 1 11 12
M  V30 20 1 11 17
M  V30 14 1 12 13
M  V30 17 1 15 12
M  V30 24 1 12 21
M  V30 15 1 13 14
M  V30 18 1 16 15
M  V30 21 1 15 18
M  V30 19 1 17 16
M  V30 22 1 18 19
M  V30 23 1 18 20
M  V30 27 2 24 23
M  V30 36 1 23 31
M  V30 28 1 25 24
M  V30 35 1 30 24
M  V30 29 2 26 25
M  V30 31 1 25 27
M  V30 32 2 27 28
M  V30 33 1 28 29
M  V30 34 2 29 30
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1712-s002-mod

>  <DOI>
10.3390/M1712

$$$$

File : molbank-2023-M1711-s002.mol

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M  STY  1   1 SUP
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M  SMT   1 K
M  END
>  <MOL_ID>
molbank-2023-M1711-s002

>  <DOI>
10.3390/M1711

$$$$

File : molbank-2023-M1711-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1711-s002-mod

>  <DOI>
10.3390/M1711

$$$$

File : molbank-2023-M1710-s002.mol

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>  <MOL_ID>
molbank-2023-M1710-s002

>  <DOI>
10.3390/M1710

$$$$

File : molbank-2023-M1710-s002-mod.mol

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M  CHG  4   9   1  27   1  31  -1  39  -1
M  END
>  <MOL_ID>
molbank-2023-M1710-s002-mod

>  <DOI>
10.3390/M1710

$$$$

File : molbank-2023-M1709-s002.mol

  0  0  0     0  0              0 V3000
  V30 BEGIN CTAB
  V30 COUNTS 26 28 2 0 0
  V30 BEGIN ATOM
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  V30 3 C -0.351033 0.002863 0.000000 0
  V30 4 C -0.351033 0.825000 0.000000 0
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  V30 9 C 0.360957 1.236068 0.000000 0
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  V30 15 C 1.784938 -1.230340 0.000000 0
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  V30 25 O -0.351033 -1.647136 0.000000 0
  V30 26 C 0.360957 -1.236068 0.000000 0
  V30 END ATOM
  V30 BEGIN BOND
  V30 1 1 23 24
  V30 2 1 19 23
  V30 3 1 25 26
  V30 4 1 21 25
  V30 5 2 1 2
  V30 6 1 1 3
  V30 7 1 3 4
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  V30 9 1 5 6
  V30 10 2 6 7
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  V30 15 2 10 11
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  V30 19 2 14 15
  V30 20 1 15 10
  V30 21 1 3 16
  V30 22 2 16 17
  V30 23 1 17 18
  V30 24 2 18 19
  V30 25 1 19 20
  V30 26 2 20 21
  V30 27 1 21 16
  V30 28 1 17 22
  V30 END BOND
  V30 BEGIN SGROUP
  V30 1 SUP 1 ATOMS=(2 23 24) XBONDS=(1 2) LABEL="^OMe" CSTATE=(4 2 0.714471 -
  V30 0.412500 0)
  V30 2 SUP 2 ATOMS=(2 25 26) XBONDS=(1 4) LABEL=OMe CSTATE=(4 4 -0.714471 -
  V30 0.412500 0)
  V30 END SGROUP
  V30 END CTAB
  END
>  <MOL_ID>
molbank-2023-M1709-s002

>  <DOI>
10.3390/M1709

$$$$

File : molbank-2023-M1709-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 2 0 0
M  V30 BEGIN ATOM
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M  V30 10 C 1.784938 -0.408205 0.000000 0
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M  V30 26 C 0.360957 -1.236068 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 23 24
M  V30 2 1 19 23
M  V30 3 1 25 26
M  V30 4 1 21 25
M  V30 5 2 1 2
M  V30 6 1 1 3
M  V30 7 1 3 4
M  V30 8 2 4 5
M  V30 9 1 5 6
M  V30 10 2 6 7
M  V30 11 1 7 8
M  V30 12 2 8 9
M  V30 13 1 9 4
M  V30 14 1 2 10
M  V30 15 2 10 11
M  V30 16 1 11 12
M  V30 17 2 12 13
M  V30 18 1 13 14
M  V30 19 2 14 15
M  V30 20 1 15 10
M  V30 21 1 3 16
M  V30 22 2 16 17
M  V30 23 1 17 18
M  V30 24 2 18 19
M  V30 25 1 19 20
M  V30 26 2 20 21
M  V30 27 1 21 16
M  V30 28 1 17 22
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 23 24) XBONDS=(1 2) LABEL="^OMe" CSTATE=(4 2 0.714471 -
M  V30 0.412500 0)
M  V30 2 SUP 2 ATOMS=(2 25 26) XBONDS=(1 4) LABEL=OMe CSTATE=(4 4 -0.714471 -
M  V30 0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1709-s002-mod

>  <DOI>
10.3390/M1709

$$$$

File : molbank-2023-M1708-s002.mol

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   25.9768   -6.5992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  17  18
M  SBL   1  1  17
M  SMT   1 ^OMe
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  19  20
M  SBL   2  1  18
M  SMT   2 ^OMe
M  END
>  <MOL_ID>
molbank-2023-M1708-s002

>  <DOI>
10.3390/M1708

$$$$

File : molbank-2023-M1708-s002-mod.mol

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  19  20
M  SBL   2  1  18
M  SMT   2 ^OMe
M  END
>  <MOL_ID>
molbank-2023-M1708-s002-mod

>  <DOI>
10.3390/M1708

$$$$

File : molbank-2023-M1707-s003.mol

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>  <MOL_ID>
molbank-2023-M1707-s003

>  <DOI>
10.3390/M1707

$$$$

File : molbank-2023-M1707-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1707-s003-mod

>  <DOI>
10.3390/M1707

$$$$

File : molbank-2023-M1707-s002.mol

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>  <MOL_ID>
molbank-2023-M1707-s002

>  <DOI>
10.3390/M1707

$$$$

File : molbank-2023-M1707-s002-mod.mol

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molbank-2023-M1707-s002-mod

>  <DOI>
10.3390/M1707

$$$$

File : molbank-2023-M1706-s002.mol

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>  <MOL_ID>
molbank-2023-M1706-s002

>  <DOI>
10.3390/M1706

$$$$

File : molbank-2023-M1706-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1706-s002-mod

>  <DOI>
10.3390/M1706

$$$$

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>  <MOL_ID>
molbank-2023-M1705-s002

>  <DOI>
10.3390/M1705

$$$$

File : molbank-2023-M1705-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1705-s002-mod

>  <DOI>
10.3390/M1705

$$$$

File : molbank-2023-M1704-s003.mol

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>  <MOL_ID>
molbank-2023-M1704-s003

>  <DOI>
10.3390/M1704

$$$$

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>  <MOL_ID>
molbank-2023-M1704-s003-mod

>  <DOI>
10.3390/M1704

$$$$

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>  <MOL_ID>
molbank-2023-M1704-s002

>  <DOI>
10.3390/M1704

$$$$

File : molbank-2023-M1704-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1704-s002-mod

>  <DOI>
10.3390/M1704

$$$$

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>  <MOL_ID>
molbank-2023-M1703-s003

>  <DOI>
10.3390/M1703

$$$$

File : molbank-2023-M1703-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1703-s003-mod

>  <DOI>
10.3390/M1703

$$$$

File : molbank-2023-M1703-s002.mol

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>  <MOL_ID>
molbank-2023-M1703-s002

>  <DOI>
10.3390/M1703

$$$$

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>  <DOI>
10.3390/M1703

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molbank-2023-M1702-s002

>  <DOI>
10.3390/M1702

$$$$

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>  <MOL_ID>
molbank-2023-M1702-s002-mod

>  <DOI>
10.3390/M1702

$$$$

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>  <MOL_ID>
molbank-2023-M1701-s002

>  <DOI>
10.3390/M1701

$$$$

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>  <MOL_ID>
molbank-2023-M1701-s002-mod

>  <DOI>
10.3390/M1701

$$$$

File : molbank-2023-M1700-s002.mol

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>  <MOL_ID>
molbank-2023-M1700-s002

>  <DOI>
10.3390/M1700

$$$$

File : molbank-2023-M1700-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1700-s002-mod

>  <DOI>
10.3390/M1700

$$$$

File : molbank-2023-M1699-s002.mol

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>  <MOL_ID>
molbank-2023-M1699-s002

>  <DOI>
10.3390/M1699

$$$$

File : molbank-2023-M1699-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1699-s002-mod

>  <DOI>
10.3390/M1699

$$$$

File : molbank-2023-M1698-s002.mol

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>  <MOL_ID>
molbank-2023-M1698-s002

>  <DOI>
10.3390/M1698

$$$$

File : molbank-2023-M1698-s002-mod.mol

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molbank-2023-M1698-s002-mod

>  <DOI>
10.3390/M1698

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>  <DOI>
10.3390/M1697

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molbank-2023-M1697-s002-mod

>  <DOI>
10.3390/M1697

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>  <MOL_ID>
molbank-2023-M1696-s002

>  <DOI>
10.3390/M1696

$$$$

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>  <MOL_ID>
molbank-2023-M1696-s002-mod

>  <DOI>
10.3390/M1696

$$$$

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>  <MOL_ID>
molbank-2023-M1695-s002

>  <DOI>
10.3390/M1695

$$$$

File : molbank-2023-M1695-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1695-s002-mod

>  <DOI>
10.3390/M1695

$$$$

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>  <MOL_ID>
molbank-2023-M1694-s002

>  <DOI>
10.3390/M1694

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>  <MOL_ID>
molbank-2023-M1694-s002-mod

>  <DOI>
10.3390/M1694

$$$$

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>  <MOL_ID>
molbank-2023-M1693-s002

>  <DOI>
10.3390/M1693

$$$$

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>  <MOL_ID>
molbank-2023-M1693-s002-mod

>  <DOI>
10.3390/M1693

$$$$

File : molbank-2023-M1692-s003.mol

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>  <MOL_ID>
molbank-2023-M1692-s003

>  <DOI>
10.3390/M1692

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>  <MOL_ID>
molbank-2023-M1692-s003-mod

>  <DOI>
10.3390/M1692

$$$$

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>  <MOL_ID>
molbank-2023-M1692-s002

>  <DOI>
10.3390/M1692

$$$$

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>  <MOL_ID>
molbank-2023-M1692-s002-mod

>  <DOI>
10.3390/M1692

$$$$

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>  <MOL_ID>
molbank-2023-M1691-s002

>  <DOI>
10.3390/M1691

$$$$

File : molbank-2023-M1691-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1691-s002-mod

>  <DOI>
10.3390/M1691

$$$$

File : molbank-2023-M1690-s002.mol

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>  <MOL_ID>
molbank-2023-M1690-s002

>  <DOI>
10.3390/M1690

$$$$

File : molbank-2023-M1690-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1690-s002-mod

>  <DOI>
10.3390/M1690

$$$$

File : molbank-2023-M1689-s002.mol

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>  <MOL_ID>
molbank-2023-M1689-s002

>  <DOI>
10.3390/M1689

$$$$

File : molbank-2023-M1689-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1689-s002-mod

>  <DOI>
10.3390/M1689

$$$$

File : molbank-2023-M1688-s002.mol

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>  <MOL_ID>
molbank-2023-M1688-s002

>  <DOI>
10.3390/M1688

$$$$

File : molbank-2023-M1688-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1688-s002-mod

>  <DOI>
10.3390/M1688

$$$$

File : molbank-2023-M1687-s002.mol

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>  <MOL_ID>
molbank-2023-M1687-s002

>  <DOI>
10.3390/M1687

$$$$

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>  <MOL_ID>
molbank-2023-M1687-s002-mod

>  <DOI>
10.3390/M1687

$$$$

File : molbank-2023-M1686-s002.mol

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>  <MOL_ID>
molbank-2023-M1686-s002

>  <DOI>
10.3390/M1686

$$$$

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>  <MOL_ID>
molbank-2023-M1686-s002-mod

>  <DOI>
10.3390/M1686

$$$$

File : molbank-2023-M1685-s002.mol

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>  <MOL_ID>
molbank-2023-M1685-s002

>  <DOI>
10.3390/M1685

$$$$

File : molbank-2023-M1685-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1685-s002-mod

>  <DOI>
10.3390/M1685

$$$$

File : molbank-2023-M1684-s002.mol

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>  <MOL_ID>
molbank-2023-M1684-s002

>  <DOI>
10.3390/M1684

$$$$

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>  <MOL_ID>
molbank-2023-M1684-s002-mod

>  <DOI>
10.3390/M1684

$$$$

File : molbank-2023-M1683-s002.mol

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>  <MOL_ID>
molbank-2023-M1683-s002

>  <DOI>
10.3390/M1683

$$$$

File : molbank-2023-M1683-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1683-s002-mod

>  <DOI>
10.3390/M1683

$$$$

File : molbank-2023-M1682-s002.mol

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>  <MOL_ID>
molbank-2023-M1682-s002

>  <DOI>
10.3390/M1682

$$$$

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>  <MOL_ID>
molbank-2023-M1682-s002-mod

>  <DOI>
10.3390/M1682

$$$$

File : molbank-2023-M1681-s002.mol

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>  <MOL_ID>
molbank-2023-M1681-s002

>  <DOI>
10.3390/M1681

$$$$

File : molbank-2023-M1681-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1681-s002-mod

>  <DOI>
10.3390/M1681

$$$$

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>  <MOL_ID>
molbank-2023-M1680-s001

>  <DOI>
10.3390/M1680

$$$$

File : molbank-2023-M1680-s001-mod.mol

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molbank-2023-M1680-s001-mod

>  <DOI>
10.3390/M1680

$$$$

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>  <MOL_ID>
molbank-2023-M1679-s002

>  <DOI>
10.3390/M1679

$$$$

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>  <MOL_ID>
molbank-2023-M1679-s002-mod

>  <DOI>
10.3390/M1679

$$$$

File : molbank-2023-M1678-s002.mol

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>  <MOL_ID>
molbank-2023-M1678-s002

>  <DOI>
10.3390/M1678

$$$$

File : molbank-2023-M1678-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1678-s002-mod

>  <DOI>
10.3390/M1678

$$$$

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>  <MOL_ID>
molbank-2023-M1677-s002

>  <DOI>
10.3390/M1677

$$$$

File : molbank-2023-M1677-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1677-s002-mod

>  <DOI>
10.3390/M1677

$$$$

File : molbank-2023-M1676-s002.mol

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>  <DOI>
10.3390/M1676

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File : molbank-2023-M1676-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1676-s002-mod

>  <DOI>
10.3390/M1676

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>  <MOL_ID>
molbank-2023-M1675-s002

>  <DOI>
10.3390/M1675

$$$$

File : molbank-2023-M1675-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1675-s002-mod

>  <DOI>
10.3390/M1675

$$$$

File : molbank-2023-M1674-s002.mol

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>  <MOL_ID>
molbank-2023-M1674-s002

>  <DOI>
10.3390/M1674

$$$$

File : molbank-2023-M1674-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1674-s002-mod

>  <DOI>
10.3390/M1674

$$$$

File : molbank-2023-M1672-s002.mol

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>  <MOL_ID>
molbank-2023-M1672-s002

>  <DOI>
10.3390/M1672

$$$$

File : molbank-2023-M1672-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1672-s002-mod

>  <DOI>
10.3390/M1672

$$$$

File : molbank-2023-M1671-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1671-s002

>  <DOI>
10.3390/M1671

$$$$

File : molbank-2023-M1671-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1671-s002-mod

>  <DOI>
10.3390/M1671

$$$$

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>  <MOL_ID>
molbank-2023-M1670-s004

>  <DOI>
10.3390/M1670

$$$$

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>  <MOL_ID>
molbank-2023-M1670-s004-mod

>  <DOI>
10.3390/M1670

$$$$

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>  <MOL_ID>
molbank-2023-M1670-s003

>  <DOI>
10.3390/M1670

$$$$

File : molbank-2023-M1670-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1670-s003-mod

>  <DOI>
10.3390/M1670

$$$$

File : molbank-2023-M1670-s002.mol

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>  <MOL_ID>
molbank-2023-M1670-s002

>  <DOI>
10.3390/M1670

$$$$

File : molbank-2023-M1670-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1670-s002-mod

>  <DOI>
10.3390/M1670

$$$$

File : molbank-2023-M1669-s002.mol

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>  <MOL_ID>
molbank-2023-M1669-s002

>  <DOI>
10.3390/M1669

$$$$

File : molbank-2023-M1669-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1669-s002-mod

>  <DOI>
10.3390/M1669

$$$$

File : molbank-2023-M1668-s007.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C 0.085113 -0.206250 0.000000 0
M  V30 3 N 0.799584 -0.618750 0.000000 0
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M  V30 22 C 3.657468 -0.618750 0.000000 0
M  V30 23 C 2.942997 -0.206250 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 2 6 7
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M  V30 21 1 19 20
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M  V30 24 2 22 23
M  V30 25 1 23 9
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s007

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s007-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C  -1.040782 1.713847 0.010561 0
M  V30 3 N  0.171742 1.165495 -0.161520 0
M  V30 4 C  1.264919 1.907710 -0.514207 0
M  V30 5 C  1.174190 3.266819 -0.705977 0
M  V30 6 C  -0.079252 3.904703 -0.533235 0
M  V30 7 O  -0.199537 5.109550 -0.694179 0
M  V30 8 O  2.272347 3.988343 -1.056989 0
M  V30 9 C  2.568809 1.236548 -0.693232 0
M  V30 10 C  -2.559537 3.673459 0.040932 0
M  V30 11 C  -2.787347 4.617634 1.154728 0
M  V30 12 O  -3.470552 3.393202 -0.714790 0
M  V30 13 C  -4.030281 5.236366 1.306325 0
M  V30 14 C  -4.236810 6.115957 2.347778 0
M  V30 15 C  -3.214743 6.386134 3.243030 0
M  V30 16 C  -1.979859 5.775243 3.098229 0
M  V30 17 C  -1.762386 4.890441 2.063424 0
M  V30 18 Cl -3.482715 7.494381 4.552104 0
M  V30 19 C  3.354332 1.517635 -1.812790 0
M  V30 20 C  4.570997 0.887722 -1.973496 0
M  V30 21 C  5.013602 -0.020504 -1.028105 0
M  V30 22 C  4.240182 -0.303701 0.083722 0
M  V30 23 C  3.023714 0.322642 0.259293 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 10 1 1 10
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 9 1 4 9
M  V30 5 1 5 6
M  V30 8 1 5 8
M  V30 7 2 6 7
M  V30 20 2 9 19
M  V30 25 1 23 9
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 2 11 13
M  V30 18 1 17 11
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 19 1 15 18
M  V30 17 2 16 17
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s007-mod

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s006.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.146730 0.496004 0.000000 0
M  V30 2 C 0.146730 -0.328996 0.000000 0
M  V30 3 N 0.861201 -0.741496 0.000000 0
M  V30 4 C 1.575671 -0.328996 0.000000 0
M  V30 5 C 1.575671 0.496004 0.000000 0
M  V30 6 C 0.861201 0.908504 0.000000 0
M  V30 7 O 0.861201 1.733504 0.000000 0
M  V30 8 O 2.290143 0.908504 0.000000 0
M  V30 9 C 2.290143 -0.741496 0.000000 0
M  V30 10 C -0.567741 0.908504 0.000000 0
M  V30 11 C -1.454087 0.388582 0.000000 0
M  V30 12 O -0.567741 1.733504 0.000000 0
M  V30 13 C -2.174184 0.791180 0.000000 0
M  V30 14 C -2.882893 0.388582 0.000000 0
M  V30 15 C -2.882893 -0.436339 0.000000 0
M  V30 16 C -2.174184 -0.838937 0.000000 0
M  V30 17 C -1.454087 -0.436339 0.000000 0
M  V30 18 O 2.376379 -1.561977 0.000000 0
M  V30 19 C 3.183350 -1.733504 0.000000 0
M  V30 20 C 3.595850 -1.019033 0.000000 0
M  V30 21 C 3.043818 -0.405938 0.000000 0
M  V30 22 Cl -3.595850 -0.851293 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 2 6 7
M  V30 8 1 5 8
M  V30 9 1 4 9
M  V30 10 1 1 10
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 2 11 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 17 2 16 17
M  V30 18 1 17 11
M  V30 19 1 9 18
M  V30 20 1 18 19
M  V30 21 2 19 20
M  V30 22 1 20 21
M  V30 23 2 21 9
M  V30 24 1 15 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s006

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s006-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  1.211174 2.022814 0.073059 0
M  V30 2 C  2.446731 1.420586 0.205995 0
M  V30 3 N  3.567196 2.158161 0.264590 0
M  V30 4 C  3.543988 3.526628 0.197039 0
M  V30 5 C  2.354830 4.216201 0.064723 0
M  V30 6 C  1.144462 3.490437 -0.009076 0
M  V30 7 O  0.073068 4.065287 -0.132098 0
M  V30 8 O  2.349231 5.575028 -0.000856 0
M  V30 9 C  4.805896 4.273073 0.267070 0
M  V30 10 C  -0.014421 1.212272 0.008707 0
M  V30 11 C  -1.007876 1.286965 1.100267 0
M  V30 12 O  -0.212716 0.484176 -0.945418 0
M  V30 13 C  -2.131687 0.457875 1.083473 0
M  V30 14 C  -3.054746 0.531907 2.104976 0
M  V30 15 C  -2.869032 1.425961 3.146728 0
M  V30 16 C  -1.756385 2.250939 3.169016 0
M  V30 17 C  -0.823781 2.182852 2.155785 0
M  V30 18 O  4.937011 5.613928 0.214255 0
M  V30 19 C  6.235520 5.938617 0.307896 0
M  V30 20 C  6.959017 4.805073 0.422645 0
M  V30 21 C  6.051306 3.731548 0.402989 0
M  V30 22 Cl -4.035136 1.512479 4.429854 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 10 1 1 10
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 9 1 4 9
M  V30 5 1 5 6
M  V30 8 1 5 8
M  V30 7 2 6 7
M  V30 19 1 9 18
M  V30 23 2 21 9
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 2 11 13
M  V30 18 1 17 11
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 24 1 15 22
M  V30 17 2 16 17
M  V30 20 1 18 19
M  V30 21 2 19 20
M  V30 22 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s006-mod

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s005.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.209749 0.496004 0.000000 0
M  V30 2 C -0.209749 -0.328996 0.000000 0
M  V30 3 N 0.504722 -0.741496 0.000000 0
M  V30 4 C 1.219192 -0.328996 0.000000 0
M  V30 5 C 1.219192 0.496004 0.000000 0
M  V30 6 C 0.504722 0.908504 0.000000 0
M  V30 7 O 0.504722 1.733504 0.000000 0
M  V30 8 O 1.933664 0.908504 0.000000 0
M  V30 9 C 1.933664 -0.741496 0.000000 0
M  V30 10 C -0.924220 0.908504 0.000000 0
M  V30 11 C -1.810566 0.388582 0.000000 0
M  V30 12 O -0.924220 1.733504 0.000000 0
M  V30 13 C -2.530663 0.791180 0.000000 0
M  V30 14 C -3.239371 0.388582 0.000000 0
M  V30 15 C -3.239371 -0.436339 0.000000 0
M  V30 16 C -2.530663 -0.838937 0.000000 0
M  V30 17 C -1.810566 -0.436339 0.000000 0
M  V30 18 O 2.019900 -1.561977 0.000000 0
M  V30 19 C 2.826871 -1.733504 0.000000 0
M  V30 20 C 3.239371 -1.019033 0.000000 0
M  V30 21 C 2.687339 -0.405938 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 2 6 7
M  V30 8 1 5 8
M  V30 9 1 4 9
M  V30 10 1 1 10
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 2 11 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 17 2 16 17
M  V30 18 1 17 11
M  V30 19 1 9 18
M  V30 20 1 18 19
M  V30 21 2 19 20
M  V30 22 1 20 21
M  V30 23 2 21 9
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s005

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s005-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  3.686559 1.912241 -0.080453 0
M  V30 2 C  4.937898 1.335844 -0.176311 0
M  V30 3 N  6.041896 2.097703 -0.235434 0
M  V30 4 C  5.986028 3.466570 -0.204699 0
M  V30 5 C  4.779295 4.131293 -0.109640 0
M  V30 6 C  3.583907 3.379825 -0.050314 0
M  V30 7 O  2.496878 3.932652 0.028411 0
M  V30 8 O  4.741371 5.490858 -0.079831 0
M  V30 9 C  7.231441 4.240308 -0.273581 0
M  V30 10 C  2.479072 1.075237 -0.015813 0
M  V30 11 C  1.659928 1.053156 1.214766 0
M  V30 12 O  2.154289 0.401105 -0.974804 0
M  V30 13 C  0.464623 0.332303 1.248659 0
M  V30 14 C  -0.297659 0.320585 2.398225 0
M  V30 15 C  0.125094 1.012535 3.519534 0
M  V30 16 C  1.308656 1.728964 3.492767 0
M  V30 17 C  2.077945 1.753436 2.348080 0
M  V30 18 O  7.330808 5.584776 -0.253342 0
M  V30 19 C  8.622966 5.937247 -0.333358 0
M  V30 20 C  9.374186 4.818368 -0.406398 0
M  V30 21 C  8.491886 3.724546 -0.363363 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 10 1 1 10
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 9 1 4 9
M  V30 5 1 5 6
M  V30 8 1 5 8
M  V30 7 2 6 7
M  V30 19 1 9 18
M  V30 23 2 21 9
M  V30 11 1 10 11
M  V30 12 2 10 12
M  V30 13 2 11 13
M  V30 18 1 17 11
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 17 2 16 17
M  V30 20 1 18 19
M  V30 21 2 19 20
M  V30 22 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s005-mod

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s004.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 30 33 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.268402 -0.201954 0.000000 0
M  V30 2 C -0.268402 -1.026954 0.000000 0
M  V30 3 N 0.446069 -1.439454 0.000000 0
M  V30 4 C 1.160540 -1.026954 0.000000 0
M  V30 5 C 1.160540 -0.201954 0.000000 0
M  V30 6 C 0.446069 0.210546 0.000000 0
M  V30 7 O 0.446069 1.035546 0.000000 0
M  V30 8 C 1.875011 -1.439454 0.000000 0
M  V30 9 C -0.982873 0.210546 0.000000 0
M  V30 10 C -1.869219 -0.309376 0.000000 0
M  V30 11 O -0.982873 1.035546 0.000000 0
M  V30 12 C -2.589316 0.093222 0.000000 0
M  V30 13 C -3.298024 -0.309376 0.000000 0
M  V30 14 C -3.298024 -1.134297 0.000000 0
M  V30 15 C -2.589316 -1.536895 0.000000 0
M  V30 16 C -1.869219 -1.134297 0.000000 0
M  V30 17 Cl -4.010982 -1.549251 0.000000 0
M  V30 18 C 1.875011 -2.264454 0.000000 0
M  V30 19 C 2.589482 -2.676954 0.000000 0
M  V30 20 C 3.303953 -2.264454 0.000000 0
M  V30 21 C 3.303953 -1.439454 0.000000 0
M  V30 22 C 2.589482 -1.026954 0.000000 0
M  V30 23 O 1.875011 0.210546 0.000000 0
M  V30 24 C 2.587001 1.443750 0.000000 0
M  V30 25 C 3.298992 1.032682 0.000000 0
M  V30 26 C 4.010982 1.443750 0.000000 0
M  V30 27 C 4.010982 2.265886 0.000000 0
M  V30 28 C 3.298992 2.676954 0.000000 0
M  V30 29 C 2.587001 2.265887 0.000000 0
M  V30 30 C 1.875011 1.032682 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 28 29
M  V30 2 1 27 28
M  V30 3 2 26 27
M  V30 4 1 25 26
M  V30 5 2 24 25
M  V30 6 1 24 29
M  V30 7 1 24 30
M  V30 8 1 23 30
M  V30 9 1 5 23
M  V30 10 2 1 2
M  V30 11 1 2 3
M  V30 12 1 3 4
M  V30 13 2 4 5
M  V30 14 1 5 6
M  V30 15 1 6 1
M  V30 16 2 6 7
M  V30 17 1 4 8
M  V30 18 1 1 9
M  V30 19 1 9 10
M  V30 20 2 9 11
M  V30 21 2 10 12
M  V30 22 1 12 13
M  V30 23 2 13 14
M  V30 24 1 14 15
M  V30 25 2 15 16
M  V30 26 1 16 10
M  V30 27 1 14 17
M  V30 28 2 8 18
M  V30 29 1 18 19
M  V30 30 2 19 20
M  V30 31 1 20 21
M  V30 32 2 21 22
M  V30 33 1 22 8
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(8 23 24 25 26 27 28 29 30) XBONDS=(1 9) LABEL=OBn -
M  V30 CSTATE=(4 9 -0.714471 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s004

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s004-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 30 33 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.268402 -0.201954 0.000000 0
M  V30 2 C -0.268402 -1.026954 0.000000 0
M  V30 3 N 0.446069 -1.439454 0.000000 0
M  V30 4 C 1.160540 -1.026954 0.000000 0
M  V30 5 C 1.160540 -0.201954 0.000000 0
M  V30 6 C 0.446069 0.210546 0.000000 0
M  V30 7 O 0.446069 1.035546 0.000000 0
M  V30 8 C 1.875011 -1.439454 0.000000 0
M  V30 9 C -0.982873 0.210546 0.000000 0
M  V30 10 C -1.869219 -0.309376 0.000000 0
M  V30 11 O -0.982873 1.035546 0.000000 0
M  V30 12 C -2.589316 0.093222 0.000000 0
M  V30 13 C -3.298024 -0.309376 0.000000 0
M  V30 14 C -3.298024 -1.134297 0.000000 0
M  V30 15 C -2.589316 -1.536895 0.000000 0
M  V30 16 C -1.869219 -1.134297 0.000000 0
M  V30 17 Cl -4.010982 -1.549251 0.000000 0
M  V30 18 C 1.875011 -2.264454 0.000000 0
M  V30 19 C 2.589482 -2.676954 0.000000 0
M  V30 20 C 3.303953 -2.264454 0.000000 0
M  V30 21 C 3.303953 -1.439454 0.000000 0
M  V30 22 C 2.589482 -1.026954 0.000000 0
M  V30 23 O 1.875011 0.210546 0.000000 0
M  V30 24 C 2.587001 1.443750 0.000000 0
M  V30 25 C 3.298992 1.032682 0.000000 0
M  V30 26 C 4.010982 1.443750 0.000000 0
M  V30 27 C 4.010982 2.265886 0.000000 0
M  V30 28 C 3.298992 2.676954 0.000000 0
M  V30 29 C 2.587001 2.265887 0.000000 0
M  V30 30 C 1.875011 1.032682 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 28 29
M  V30 2 1 27 28
M  V30 3 2 26 27
M  V30 4 1 25 26
M  V30 5 2 24 25
M  V30 6 1 24 29
M  V30 7 1 24 30
M  V30 8 1 23 30
M  V30 9 1 5 23
M  V30 10 2 1 2
M  V30 11 1 2 3
M  V30 12 1 3 4
M  V30 13 2 4 5
M  V30 14 1 5 6
M  V30 15 1 6 1
M  V30 16 2 6 7
M  V30 17 1 4 8
M  V30 18 1 1 9
M  V30 19 1 9 10
M  V30 20 2 9 11
M  V30 21 2 10 12
M  V30 22 1 12 13
M  V30 23 2 13 14
M  V30 24 1 14 15
M  V30 25 2 15 16
M  V30 26 1 16 10
M  V30 27 1 14 17
M  V30 28 2 8 18
M  V30 29 1 18 19
M  V30 30 2 19 20
M  V30 31 1 20 21
M  V30 32 2 21 22
M  V30 33 1 22 8
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(8 23 24 25 26 27 28 29 30) XBONDS=(1 9) LABEL=OBn -
M  V30 CSTATE=(4 9 -0.714471 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s004-mod

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 32 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.268402 -0.324700 0.000000 0
M  V30 2 C -0.268402 -1.149700 0.000000 0
M  V30 3 N 0.446069 -1.562200 0.000000 0
M  V30 4 C 1.160540 -1.149700 0.000000 0
M  V30 5 C 1.160540 -0.324700 0.000000 0
M  V30 6 C 0.446069 0.087800 0.000000 0
M  V30 7 O 0.446069 0.912800 0.000000 0
M  V30 8 C 1.875011 -1.562200 0.000000 0
M  V30 9 C -0.982873 0.087800 0.000000 0
M  V30 10 C -1.869219 -0.432122 0.000000 0
M  V30 11 O -0.982873 0.912800 0.000000 0
M  V30 12 O 1.961247 -2.382680 0.000000 0
M  V30 13 C 2.768219 -2.554207 0.000000 0
M  V30 14 C 3.180719 -1.839736 0.000000 0
M  V30 15 C 2.628686 -1.226642 0.000000 0
M  V30 16 C -2.589316 -0.029524 0.000000 0
M  V30 17 C -3.298024 -0.432122 0.000000 0
M  V30 18 C -3.298024 -1.257043 0.000000 0
M  V30 19 C -2.589316 -1.659641 0.000000 0
M  V30 20 C -1.869219 -1.257043 0.000000 0
M  V30 21 Cl -4.010982 -1.671997 0.000000 0
M  V30 22 O 1.875011 0.087800 0.000000 0
M  V30 23 C 2.587001 1.321004 0.000000 0
M  V30 24 C 3.298992 0.909936 0.000000 0
M  V30 25 C 4.010982 1.321004 0.000000 0
M  V30 26 C 4.010982 2.143139 0.000000 0
M  V30 27 C 3.298992 2.554207 0.000000 0
M  V30 28 C 2.587001 2.143140 0.000000 0
M  V30 29 C 1.875011 0.909936 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 27 28
M  V30 2 1 26 27
M  V30 3 2 25 26
M  V30 4 1 24 25
M  V30 5 2 23 24
M  V30 6 1 23 28
M  V30 7 1 23 29
M  V30 8 1 22 29
M  V30 9 1 5 22
M  V30 10 2 1 2
M  V30 11 1 2 3
M  V30 12 1 3 4
M  V30 13 2 4 5
M  V30 14 1 5 6
M  V30 15 1 6 1
M  V30 16 2 6 7
M  V30 17 1 4 8
M  V30 18 1 1 9
M  V30 19 1 9 10
M  V30 20 2 9 11
M  V30 21 1 8 12
M  V30 22 1 12 13
M  V30 23 2 13 14
M  V30 24 1 14 15
M  V30 25 2 15 8
M  V30 26 2 10 16
M  V30 27 1 16 17
M  V30 28 2 17 18
M  V30 29 1 18 19
M  V30 30 2 19 20
M  V30 31 1 20 10
M  V30 32 1 18 21
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(8 22 23 24 25 26 27 28 29) XBONDS=(1 9) LABEL=OBn -
M  V30 CSTATE=(4 9 -0.714471 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s003

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 32 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.268402 -0.324700 0.000000 0
M  V30 2 C -0.268402 -1.149700 0.000000 0
M  V30 3 N 0.446069 -1.562200 0.000000 0
M  V30 4 C 1.160540 -1.149700 0.000000 0
M  V30 5 C 1.160540 -0.324700 0.000000 0
M  V30 6 C 0.446069 0.087800 0.000000 0
M  V30 7 O 0.446069 0.912800 0.000000 0
M  V30 8 C 1.875011 -1.562200 0.000000 0
M  V30 9 C -0.982873 0.087800 0.000000 0
M  V30 10 C -1.869219 -0.432122 0.000000 0
M  V30 11 O -0.982873 0.912800 0.000000 0
M  V30 12 O 1.961247 -2.382680 0.000000 0
M  V30 13 C 2.768219 -2.554207 0.000000 0
M  V30 14 C 3.180719 -1.839736 0.000000 0
M  V30 15 C 2.628686 -1.226642 0.000000 0
M  V30 16 C -2.589316 -0.029524 0.000000 0
M  V30 17 C -3.298024 -0.432122 0.000000 0
M  V30 18 C -3.298024 -1.257043 0.000000 0
M  V30 19 C -2.589316 -1.659641 0.000000 0
M  V30 20 C -1.869219 -1.257043 0.000000 0
M  V30 21 Cl -4.010982 -1.671997 0.000000 0
M  V30 22 O 1.875011 0.087800 0.000000 0
M  V30 23 C 2.587001 1.321004 0.000000 0
M  V30 24 C 3.298992 0.909936 0.000000 0
M  V30 25 C 4.010982 1.321004 0.000000 0
M  V30 26 C 4.010982 2.143139 0.000000 0
M  V30 27 C 3.298992 2.554207 0.000000 0
M  V30 28 C 2.587001 2.143140 0.000000 0
M  V30 29 C 1.875011 0.909936 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 27 28
M  V30 2 1 26 27
M  V30 3 2 25 26
M  V30 4 1 24 25
M  V30 5 2 23 24
M  V30 6 1 23 28
M  V30 7 1 23 29
M  V30 8 1 22 29
M  V30 9 1 5 22
M  V30 10 2 1 2
M  V30 11 1 2 3
M  V30 12 1 3 4
M  V30 13 2 4 5
M  V30 14 1 5 6
M  V30 15 1 6 1
M  V30 16 2 6 7
M  V30 17 1 4 8
M  V30 18 1 1 9
M  V30 19 1 9 10
M  V30 20 2 9 11
M  V30 21 1 8 12
M  V30 22 1 12 13
M  V30 23 2 13 14
M  V30 24 1 14 15
M  V30 25 2 15 8
M  V30 26 2 10 16
M  V30 27 1 16 17
M  V30 28 2 17 18
M  V30 29 1 18 19
M  V30 30 2 19 20
M  V30 31 1 20 10
M  V30 32 1 18 21
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(8 22 23 24 25 26 27 28 29) XBONDS=(1 9) LABEL=OBn -
M  V30 CSTATE=(4 9 -0.714471 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s003-mod

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.624881 -0.324700 0.000000 0
M  V30 2 C -0.624881 -1.149700 0.000000 0
M  V30 3 N 0.089590 -1.562200 0.000000 0
M  V30 4 C 0.804061 -1.149700 0.000000 0
M  V30 5 C 0.804061 -0.324700 0.000000 0
M  V30 6 C 0.089590 0.087800 0.000000 0
M  V30 7 O 0.089590 0.912800 0.000000 0
M  V30 8 C 1.518532 -1.562200 0.000000 0
M  V30 9 C -1.339352 0.087800 0.000000 0
M  V30 10 C -2.225698 -0.432122 0.000000 0
M  V30 11 O -1.339352 0.912800 0.000000 0
M  V30 12 O 1.604768 -2.382680 0.000000 0
M  V30 13 C 2.411740 -2.554207 0.000000 0
M  V30 14 C 2.824240 -1.839736 0.000000 0
M  V30 15 C 2.272207 -1.226642 0.000000 0
M  V30 16 C -2.945795 -0.029524 0.000000 0
M  V30 17 C -3.654503 -0.432122 0.000000 0
M  V30 18 C -3.654503 -1.257043 0.000000 0
M  V30 19 C -2.945795 -1.659641 0.000000 0
M  V30 20 C -2.225698 -1.257043 0.000000 0
M  V30 21 O 1.518532 0.087800 0.000000 0
M  V30 22 C 2.230522 1.321004 0.000000 0
M  V30 23 C 2.942513 0.909936 0.000000 0
M  V30 24 C 3.654503 1.321004 0.000000 0
M  V30 25 C 3.654503 2.143139 0.000000 0
M  V30 26 C 2.942513 2.554207 0.000000 0
M  V30 27 C 2.230522 2.143140 0.000000 0
M  V30 28 C 1.518532 0.909936 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 26 27
M  V30 2 1 25 26
M  V30 3 2 24 25
M  V30 4 1 23 24
M  V30 5 2 22 23
M  V30 6 1 22 27
M  V30 7 1 22 28
M  V30 8 1 21 28
M  V30 9 1 5 21
M  V30 10 2 1 2
M  V30 11 1 2 3
M  V30 12 1 3 4
M  V30 13 2 4 5
M  V30 14 1 5 6
M  V30 15 1 6 1
M  V30 16 2 6 7
M  V30 17 1 4 8
M  V30 18 1 1 9
M  V30 19 1 9 10
M  V30 20 2 9 11
M  V30 21 1 8 12
M  V30 22 1 12 13
M  V30 23 2 13 14
M  V30 24 1 14 15
M  V30 25 2 15 8
M  V30 26 2 10 16
M  V30 27 1 16 17
M  V30 28 2 17 18
M  V30 29 1 18 19
M  V30 30 2 19 20
M  V30 31 1 20 10
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(8 21 22 23 24 25 26 27 28) XBONDS=(1 9) LABEL=OBn -
M  V30 CSTATE=(4 9 -0.714471 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s002

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1668-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.624881 -0.324700 0.000000 0
M  V30 2 C -0.624881 -1.149700 0.000000 0
M  V30 3 N 0.089590 -1.562200 0.000000 0
M  V30 4 C 0.804061 -1.149700 0.000000 0
M  V30 5 C 0.804061 -0.324700 0.000000 0
M  V30 6 C 0.089590 0.087800 0.000000 0
M  V30 7 O 0.089590 0.912800 0.000000 0
M  V30 8 C 1.518532 -1.562200 0.000000 0
M  V30 9 C -1.339352 0.087800 0.000000 0
M  V30 10 C -2.225698 -0.432122 0.000000 0
M  V30 11 O -1.339352 0.912800 0.000000 0
M  V30 12 O 1.604768 -2.382680 0.000000 0
M  V30 13 C 2.411740 -2.554207 0.000000 0
M  V30 14 C 2.824240 -1.839736 0.000000 0
M  V30 15 C 2.272207 -1.226642 0.000000 0
M  V30 16 C -2.945795 -0.029524 0.000000 0
M  V30 17 C -3.654503 -0.432122 0.000000 0
M  V30 18 C -3.654503 -1.257043 0.000000 0
M  V30 19 C -2.945795 -1.659641 0.000000 0
M  V30 20 C -2.225698 -1.257043 0.000000 0
M  V30 21 O 1.518532 0.087800 0.000000 0
M  V30 22 C 2.230522 1.321004 0.000000 0
M  V30 23 C 2.942513 0.909936 0.000000 0
M  V30 24 C 3.654503 1.321004 0.000000 0
M  V30 25 C 3.654503 2.143139 0.000000 0
M  V30 26 C 2.942513 2.554207 0.000000 0
M  V30 27 C 2.230522 2.143140 0.000000 0
M  V30 28 C 1.518532 0.909936 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 26 27
M  V30 2 1 25 26
M  V30 3 2 24 25
M  V30 4 1 23 24
M  V30 5 2 22 23
M  V30 6 1 22 27
M  V30 7 1 22 28
M  V30 8 1 21 28
M  V30 9 1 5 21
M  V30 10 2 1 2
M  V30 11 1 2 3
M  V30 12 1 3 4
M  V30 13 2 4 5
M  V30 14 1 5 6
M  V30 15 1 6 1
M  V30 16 2 6 7
M  V30 17 1 4 8
M  V30 18 1 1 9
M  V30 19 1 9 10
M  V30 20 2 9 11
M  V30 21 1 8 12
M  V30 22 1 12 13
M  V30 23 2 13 14
M  V30 24 1 14 15
M  V30 25 2 15 8
M  V30 26 2 10 16
M  V30 27 1 16 17
M  V30 28 2 17 18
M  V30 29 1 18 19
M  V30 30 2 19 20
M  V30 31 1 20 10
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(8 21 22 23 24 25 26 27 28) XBONDS=(1 9) LABEL=OBn -
M  V30 CSTATE=(4 9 -0.714471 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1668-s002-mod

>  <DOI>
10.3390/M1668

$$$$

File : molbank-2023-M1667-s002.mol

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   33.0186   -7.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0186   -7.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   33.0186   -7.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0
 14 15  1  0
 14 16  1  0
 11 12  1  0
 11 13  1  0
 10 11  1  0
 10 14  1  0
  9 10  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  8   9  10  11  12  13  14  15  16
M  SBL   1  1   1
M  SMT   1 ^NHPiPr2
M  END
>  <MOL_ID>
molbank-2023-M1667-s002

>  <DOI>
10.3390/M1667

$$$$

File : molbank-2023-M1667-s002-mod.mol

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    2.4034    0.0357   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -0.6793   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6514   -2.9542    0.0125 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5337   -3.9055   -1.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857   -4.7695   -1.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4205   -2.9413   -2.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3185   -4.2333    1.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9810   -4.9109    0.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2585   -3.5853    2.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
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  1  8  2  0
 14 15  1  0
 14 16  1  0
 11 12  1  0
 11 13  1  0
 10 11  1  0
 10 14  1  0
  9 10  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  8   9  10  11  12  13  14  15  16
M  SBL   1  1   1
M  SMT   1 ^NHPiPr2
M  END
>  <MOL_ID>
molbank-2023-M1667-s002-mod

>  <DOI>
10.3390/M1667

$$$$

File : molbank-2023-M1665-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1665-s002

>  <DOI>
10.3390/M1665

$$$$

File : molbank-2023-M1665-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1665-s002-mod

>  <DOI>
10.3390/M1665

$$$$

File : molbank-2023-M1666-s003.mol

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>  <MOL_ID>
molbank-2023-M1666-s003

>  <DOI>
10.3390/M1666

$$$$

File : molbank-2023-M1666-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1666-s003-mod

>  <DOI>
10.3390/M1666

$$$$

File : molbank-2023-M1666-s002.mol

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>  <MOL_ID>
molbank-2023-M1666-s002

>  <DOI>
10.3390/M1666

$$$$

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>  <MOL_ID>
molbank-2023-M1666-s002-mod

>  <DOI>
10.3390/M1666

$$$$

File : molbank-2023-M1664-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1664-s002

>  <DOI>
10.3390/M1664

$$$$

File : molbank-2023-M1664-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1664-s002-mod

>  <DOI>
10.3390/M1664

$$$$

File : molbank-2023-M1663-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 50 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C -1.585587 -0.395820 0.000000 0
M  V30 3 C -0.972493 -0.947853 0.000000 0
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M  V30 7 C 0.698127 0.526558 0.000000 0
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M  V30 11 C -0.187871 -2.027792 0.000000 0
M  V30 12 C 0.297052 -1.360353 0.000000 0
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M  V30 17 C -2.583735 -1.447648 0.000000 0
M  V30 18 C -1.855628 1.770157 0.000000 0
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M  V30 26 C -1.531381 2.134237 0.000000 0
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M  V30 33 C 1.521117 0.469009 0.000000 0
M  V30 34 C 1.072298 -1.642519 0.000000 0
M  V30 35 C 1.215558 -2.454986 0.000000 0
M  V30 36 C 1.990804 -2.737152 0.000000 0
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M  V30 44 C 1.982451 1.152965 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 5 7
M  V30 8 2 7 8
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M  V30 10 2 9 6
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M  V30 21 1 13 19
M  V30 22 1 13 20
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M  V30 26 2 23 24
M  V30 27 1 24 25
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M  V30 29 1 26 21
M  V30 30 1 10 27
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M  V30 33 2 29 30
M  V30 34 1 30 31
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M  V30 37 1 7 33
M  V30 38 1 12 34
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M  V30 46 1 40 41
M  V30 47 2 41 42
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1663-s003

>  <DOI>
10.3390/M1663

$$$$

File : molbank-2023-M1663-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 50 0 0 0
M  V30 BEGIN ATOM
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M  V30 17 C  -0.653862 2.738497 -1.383439 0
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M  V30 30 C  1.161544 5.192180 2.517265 0
M  V30 31 C  1.681701 3.924791 2.326121 0
M  V30 32 C  0.865508 2.817281 2.436306 0
M  V30 33 C  -3.834813 -2.925428 3.078207 0
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1663-s003-mod

>  <DOI>
10.3390/M1663

$$$$

File : molbank-2023-M1663-s002.mol

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>  <MOL_ID>
molbank-2023-M1663-s002

>  <DOI>
10.3390/M1663

$$$$

File : molbank-2023-M1663-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1663-s002-mod

>  <DOI>
10.3390/M1663

$$$$

File : molbank-2023-M1662-s002.mol

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>  <MOL_ID>
molbank-2023-M1662-s002

>  <DOI>
10.3390/M1662

$$$$

File : molbank-2023-M1662-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1662-s002-mod

>  <DOI>
10.3390/M1662

$$$$

File : molbank-2023-M1661-s003.mol

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>  <MOL_ID>
molbank-2023-M1661-s003

>  <DOI>
10.3390/M1661

$$$$

File : molbank-2023-M1661-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1661-s003-mod

>  <DOI>
10.3390/M1661

$$$$

File : molbank-2023-M1661-s002.mol

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>  <MOL_ID>
molbank-2023-M1661-s002

>  <DOI>
10.3390/M1661

$$$$

File : molbank-2023-M1661-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1661-s002-mod

>  <DOI>
10.3390/M1661

$$$$

File : molbank-2023-M1660-s002.mol

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>  <MOL_ID>
molbank-2023-M1660-s002

>  <DOI>
10.3390/M1660

$$$$

File : molbank-2023-M1660-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1660-s002-mod

>  <DOI>
10.3390/M1660

$$$$

File : molbank-2023-M1659-s002.mol

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>  <MOL_ID>
molbank-2023-M1659-s002

>  <DOI>
10.3390/M1659

$$$$

File : molbank-2023-M1659-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1659-s002-mod

>  <DOI>
10.3390/M1659

$$$$

File : molbank-2023-M1658-s003.mol

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>  <MOL_ID>
molbank-2023-M1658-s003

>  <DOI>
10.3390/M1658

$$$$

File : molbank-2023-M1658-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1658-s003-mod

>  <DOI>
10.3390/M1658

$$$$

File : molbank-2023-M1657-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1657-s002

>  <DOI>
10.3390/M1657

$$$$

File : molbank-2023-M1657-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1657-s002-mod

>  <DOI>
10.3390/M1657

$$$$

File : molbank-2023-M1656-s002.mol

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>  <MOL_ID>
molbank-2023-M1656-s002

>  <DOI>
10.3390/M1656

$$$$

File : molbank-2023-M1656-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1656-s002-mod

>  <DOI>
10.3390/M1656

$$$$

File : molbank-2023-M1655-s002.mol

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>  <MOL_ID>
molbank-2023-M1655-s002

>  <DOI>
10.3390/M1655

$$$$

File : molbank-2023-M1655-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1655-s002-mod

>  <DOI>
10.3390/M1655

$$$$

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>  <MOL_ID>
molbank-2023-M1654-s001

>  <DOI>
10.3390/M1654

$$$$

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molbank-2023-M1654-s001-mod

>  <DOI>
10.3390/M1654

$$$$

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10.3390/M1653

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>  <MOL_ID>
molbank-2023-M1653-s003-mod

>  <DOI>
10.3390/M1653

$$$$

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molbank-2023-M1653-s002

>  <DOI>
10.3390/M1653

$$$$

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>  <MOL_ID>
molbank-2023-M1653-s002-mod

>  <DOI>
10.3390/M1653

$$$$

File : molbank-2023-M1652-s002.mol

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>  <MOL_ID>
molbank-2023-M1652-s002

>  <DOI>
10.3390/M1652

$$$$

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>  <MOL_ID>
molbank-2023-M1652-s002-mod

>  <DOI>
10.3390/M1652

$$$$

File : molbank-2023-M1651-s002.mol

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>  <MOL_ID>
molbank-2023-M1651-s002

>  <DOI>
10.3390/M1651

$$$$

File : molbank-2023-M1651-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1651-s002-mod

>  <DOI>
10.3390/M1651

$$$$

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>  <MOL_ID>
molbank-2023-M1649-s002

>  <DOI>
10.3390/M1649

$$$$

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>  <MOL_ID>
molbank-2023-M1649-s002-mod

>  <DOI>
10.3390/M1649

$$$$

File : molbank-2023-M1648-s002.mol

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>  <MOL_ID>
molbank-2023-M1648-s002

>  <DOI>
10.3390/M1648

$$$$

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>  <MOL_ID>
molbank-2023-M1648-s002-mod

>  <DOI>
10.3390/M1648

$$$$

File : molbank-2023-M1647-s003.mol

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>  <MOL_ID>
molbank-2023-M1647-s003

>  <DOI>
10.3390/M1647

$$$$

File : molbank-2023-M1647-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1647-s003-mod

>  <DOI>
10.3390/M1647

$$$$

File : molbank-2023-M1647-s002.mol

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>  <MOL_ID>
molbank-2023-M1647-s002

>  <DOI>
10.3390/M1647

$$$$

File : molbank-2023-M1647-s002-mod.mol

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molbank-2023-M1647-s002-mod

>  <DOI>
10.3390/M1647

$$$$

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>  <MOL_ID>
molbank-2023-M1646-s002

>  <DOI>
10.3390/M1646

$$$$

File : molbank-2023-M1646-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1646-s002-mod

>  <DOI>
10.3390/M1646

$$$$

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>  <MOL_ID>
molbank-2023-M1645-s002

>  <DOI>
10.3390/M1645

$$$$

File : molbank-2023-M1645-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1645-s002-mod

>  <DOI>
10.3390/M1645

$$$$

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>  <MOL_ID>
molbank-2023-M1644-s002

>  <DOI>
10.3390/M1644

$$$$

File : molbank-2023-M1644-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1644-s002-mod

>  <DOI>
10.3390/M1644

$$$$

File : molbank-2023-M1643-s002.mol

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>  <MOL_ID>
molbank-2023-M1643-s002

>  <DOI>
10.3390/M1643

$$$$

File : molbank-2023-M1643-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1643-s002-mod

>  <DOI>
10.3390/M1643

$$$$

File : molbank-2023-M1642-s002.mol

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>  <MOL_ID>
molbank-2023-M1642-s002

>  <DOI>
10.3390/M1642

$$$$

File : molbank-2023-M1642-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1642-s002-mod

>  <DOI>
10.3390/M1642

$$$$

File : molbank-2023-M1641-s002.mol

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>  <MOL_ID>
molbank-2023-M1641-s002

>  <DOI>
10.3390/M1641

$$$$

File : molbank-2023-M1641-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1641-s002-mod

>  <DOI>
10.3390/M1641

$$$$

File : molbank-2023-M1640-s002.mol

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>  <MOL_ID>
molbank-2023-M1640-s002

>  <DOI>
10.3390/M1640

$$$$

File : molbank-2023-M1640-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1640-s002-mod

>  <DOI>
10.3390/M1640

$$$$

File : molbank-2023-M1639-s003.mol

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>  <MOL_ID>
molbank-2023-M1639-s003

>  <DOI>
10.3390/M1639

$$$$

File : molbank-2023-M1639-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1639-s003-mod

>  <DOI>
10.3390/M1639

$$$$

File : molbank-2023-M1639-s002.mol

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>  <MOL_ID>
molbank-2023-M1639-s002

>  <DOI>
10.3390/M1639

$$$$

File : molbank-2023-M1639-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1639-s002-mod

>  <DOI>
10.3390/M1639

$$$$

File : molbank-2023-M1638-s002.mol

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>  <MOL_ID>
molbank-2023-M1638-s002

>  <DOI>
10.3390/M1638

$$$$

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>  <MOL_ID>
molbank-2023-M1638-s002-mod

>  <DOI>
10.3390/M1638

$$$$

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>  <MOL_ID>
molbank-2023-M1637-s005

>  <DOI>
10.3390/M1637

$$$$

File : molbank-2023-M1637-s005-mod.mol

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>  <MOL_ID>
molbank-2023-M1637-s005-mod

>  <DOI>
10.3390/M1637

$$$$

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>  <MOL_ID>
molbank-2023-M1637-s004

>  <DOI>
10.3390/M1637

$$$$

File : molbank-2023-M1637-s004-mod.mol

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>  <MOL_ID>
molbank-2023-M1637-s004-mod

>  <DOI>
10.3390/M1637

$$$$

File : molbank-2023-M1637-s003.mol

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>  <MOL_ID>
molbank-2023-M1637-s003

>  <DOI>
10.3390/M1637

$$$$

File : molbank-2023-M1637-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1637-s003-mod

>  <DOI>
10.3390/M1637

$$$$

File : molbank-2023-M1637-s002.mol

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>  <MOL_ID>
molbank-2023-M1637-s002

>  <DOI>
10.3390/M1637

$$$$

File : molbank-2023-M1637-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1637-s002-mod

>  <DOI>
10.3390/M1637

$$$$

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>  <MOL_ID>
molbank-2023-M1636-s002

>  <DOI>
10.3390/M1636

$$$$

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>  <MOL_ID>
molbank-2023-M1636-s002-mod

>  <DOI>
10.3390/M1636

$$$$

File : molbank-2023-M1635-s004.mol

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>  <MOL_ID>
molbank-2023-M1635-s004

>  <DOI>
10.3390/M1635

$$$$

File : molbank-2023-M1635-s004-mod.mol

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>  <MOL_ID>
molbank-2023-M1635-s004-mod

>  <DOI>
10.3390/M1635

$$$$

File : molbank-2023-M1635-s003.mol

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>  <MOL_ID>
molbank-2023-M1635-s003

>  <DOI>
10.3390/M1635

$$$$

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>  <MOL_ID>
molbank-2023-M1635-s003-mod

>  <DOI>
10.3390/M1635

$$$$

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>  <MOL_ID>
molbank-2023-M1635-s002

>  <DOI>
10.3390/M1635

$$$$

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molbank-2023-M1635-s002-mod

>  <DOI>
10.3390/M1635

$$$$

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>  <MOL_ID>
molbank-2023-M1634-s002

>  <DOI>
10.3390/M1634

$$$$

File : molbank-2023-M1634-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1634-s002-mod

>  <DOI>
10.3390/M1634

$$$$

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>  <MOL_ID>
molbank-2023-M1632-s002

>  <DOI>
10.3390/M1632

$$$$

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>  <MOL_ID>
molbank-2023-M1632-s002-mod

>  <DOI>
10.3390/M1632

$$$$

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>  <MOL_ID>
molbank-2023-M1633-s002

>  <DOI>
10.3390/M1633

$$$$

File : molbank-2023-M1633-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1633-s002-mod

>  <DOI>
10.3390/M1633

$$$$

File : molbank-2023-M1630-s006.mol

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>  <MOL_ID>
molbank-2023-M1630-s006

>  <DOI>
10.3390/M1630

$$$$

File : molbank-2023-M1630-s006-mod.mol

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>  <MOL_ID>
molbank-2023-M1630-s006-mod

>  <DOI>
10.3390/M1630

$$$$

File : molbank-2023-M1630-s005.mol

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>  <MOL_ID>
molbank-2023-M1630-s005

>  <DOI>
10.3390/M1630

$$$$

File : molbank-2023-M1630-s005-mod.mol

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>  <DOI>
10.3390/M1630

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>  <DOI>
10.3390/M1630

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molbank-2023-M1630-s004-mod

>  <DOI>
10.3390/M1630

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>  <MOL_ID>
molbank-2023-M1630-s003

>  <DOI>
10.3390/M1630

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>  <MOL_ID>
molbank-2023-M1630-s003-mod

>  <DOI>
10.3390/M1630

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>  <MOL_ID>
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>  <DOI>
10.3390/M1630

$$$$

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molbank-2023-M1630-s002-mod

>  <DOI>
10.3390/M1630

$$$$

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>  <MOL_ID>
molbank-2023-M1629-s002

>  <DOI>
10.3390/M1629

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>  <MOL_ID>
molbank-2023-M1629-s002-mod

>  <DOI>
10.3390/M1629

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>  <MOL_ID>
molbank-2023-M1628-s002

>  <DOI>
10.3390/M1628

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>  <MOL_ID>
molbank-2023-M1628-s002-mod

>  <DOI>
10.3390/M1628

$$$$

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>  <MOL_ID>
molbank-2023-M1627-s002

>  <DOI>
10.3390/M1627

$$$$

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>  <MOL_ID>
molbank-2023-M1627-s002-mod

>  <DOI>
10.3390/M1627

$$$$

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>  <MOL_ID>
molbank-2023-M1626-s003

>  <DOI>
10.3390/M1626

$$$$

File : molbank-2023-M1626-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1626-s003-mod

>  <DOI>
10.3390/M1626

$$$$

File : molbank-2023-M1626-s002.mol

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>  <MOL_ID>
molbank-2023-M1626-s002

>  <DOI>
10.3390/M1626

$$$$

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>  <MOL_ID>
molbank-2023-M1626-s002-mod

>  <DOI>
10.3390/M1626

$$$$

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molbank-2023-M1625-s002

>  <DOI>
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molbank-2023-M1625-s002-mod

>  <DOI>
10.3390/M1625

$$$$

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molbank-2023-M1624-s003

>  <DOI>
10.3390/M1624

$$$$

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>  <MOL_ID>
molbank-2023-M1624-s003-mod

>  <DOI>
10.3390/M1624

$$$$

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molbank-2023-M1624-s002

>  <DOI>
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molbank-2023-M1624-s002-mod

>  <DOI>
10.3390/M1624

$$$$

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>  <MOL_ID>
molbank-2023-M1623-s003

>  <DOI>
10.3390/M1623

$$$$

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>  <MOL_ID>
molbank-2023-M1623-s003-mod

>  <DOI>
10.3390/M1623

$$$$

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>  <MOL_ID>
molbank-2023-M1623-s002

>  <DOI>
10.3390/M1623

$$$$

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molbank-2023-M1623-s002-mod

>  <DOI>
10.3390/M1623

$$$$

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>  <MOL_ID>
molbank-2023-M1622-s002

>  <DOI>
10.3390/M1622

$$$$

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>  <MOL_ID>
molbank-2023-M1622-s002-mod

>  <DOI>
10.3390/M1622

$$$$

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>  <MOL_ID>
molbank-2023-M1621-s002

>  <DOI>
10.3390/M1621

$$$$

File : molbank-2023-M1621-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1621-s002-mod

>  <DOI>
10.3390/M1621

$$$$

File : molbank-2023-M1620-s002.mol

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>  <MOL_ID>
molbank-2023-M1620-s002

>  <DOI>
10.3390/M1620

$$$$

File : molbank-2023-M1620-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1620-s002-mod

>  <DOI>
10.3390/M1620

$$$$

File : molbank-2023-M1619-s002.mol

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>  <MOL_ID>
molbank-2023-M1619-s002

>  <DOI>
10.3390/M1619

$$$$

File : molbank-2023-M1619-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1619-s002-mod

>  <DOI>
10.3390/M1619

$$$$

File : molbank-2023-M1618-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1618-s002

>  <DOI>
10.3390/M1618

$$$$

File : molbank-2023-M1618-s002-mod.mol

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <MOL_ID>
molbank-2023-M1618-s002-mod

>  <DOI>
10.3390/M1618

$$$$

File : molbank-2023-M1617-s004.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 34 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 12.4803 -8.6685 0 0
M  V30 2 C 13.6321 -9.3335 0 0
M  V30 3 C 11.3285 -9.3335 0 0
M  V30 4 C 13.6321 -10.6635 0 0
M  V30 5 C 11.3285 -10.6635 0 0
M  V30 6 C 12.4803 -11.3285 0 0
M  V30 7 C 12.8643 -9.3335 0 0
M  V30 8 C 14.784 -11.3285 0 0
M  V30 9 C 14.0161 -8.6685 0 0
M  V30 10 C 12.8643 -8.0035 0 0
M  V30 11 N 14.784 -8.6685 0 0
M  V30 12 C 15.9358 -6.6735 0 0
M  V30 13 S 16.0748 -5.3508 0 0
M  V30 14 C 17.1508 -7.2144 0 0
M  V30 15 C 17.3757 -5.0743 0 0
M  V30 16 C 18.0407 -6.2261 0 0
M  V30 17 C 19.3635 -6.3651 0 0
M  V30 18 C 24.1134 -5.7062 0 0
M  V30 19 C 23.3316 -6.7822 0 0
M  V30 20 C 23.5724 -4.4911 0 0
M  V30 21 C 22.0089 -6.6431 0 0
M  V30 22 C 22.2497 -4.3521 0 0
M  V30 23 C 21.4679 -5.4281 0 0
M  V30 24 O 20.1452 -5.2891 0 0
M  V30 25 C 25.4361 -5.8452 0 0
M  V30 26 C 25.977 -7.0602 0 0
M  V30 27 C 27.2997 -7.1992 0 0
M  V30 28 O 27.8407 -8.4142 0 0
M  V30 29 O 28.0815 -6.1232 0 0
M  V30 30 C 14.784 -7.3385 0 0
M  V30 31 C 29.1634 -8.5533 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 3 1
M  V30 3 1 4 2
M  V30 4 1 5 3
M  V30 5 1 6 4
M  V30 6 1 6 5
M  V30 7 1 4 7 CFG=1
M  V30 8 1 3 7 CFG=1
M  V30 9 1 4 8
M  V30 10 1 7 9
M  V30 11 1 7 10
M  V30 12 1 2 11 CFG=1
M  V30 13 1 13 12
M  V30 14 2 14 12
M  V30 15 1 15 13
M  V30 16 1 16 14
M  V30 17 2 16 15
M  V30 18 1 16 17
M  V30 19 1 19 18
M  V30 20 2 20 18
M  V30 21 2 21 19
M  V30 22 1 22 20
M  V30 23 1 23 21
M  V30 24 2 23 22
M  V30 25 1 23 24
M  V30 26 1 18 25
M  V30 27 1 25 26
M  V30 28 1 26 27
M  V30 29 1 27 28
M  V30 30 2 27 29
M  V30 31 1 17 24
M  V30 32 1 12 30
M  V30 33 1 11 30
M  V30 34 1 28 31
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1617-s004

>  <DOI>
10.3390/M1617

$$$$

File : molbank-2023-M1617-s004-mod.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 34 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C  -8.901335 5.851838 9.358043 0
M  V30 2 C  -8.529319 5.830887 7.857812 0
M  V30 3 C  -10.240091 5.057003 9.443345 0
M  V30 4 C  -9.678339 5.025367 7.177961 0
M  V30 5 C  -11.290535 5.987565 8.763693 0
M  V30 6 C  -10.918520 5.966615 7.263463 0
M  V30 7 C  -10.018704 3.993468 8.310533 0
M  V30 8 C  -9.366313 4.454297 5.793252 0
M  V30 9 C  -11.294682 3.206382 8.005118 0
M  V30 10 C  -8.840027 3.066936 8.615751 0
M  V30 11 N  -7.241404 5.152873 7.658982 0
M  V30 12 C  -4.825131 5.376027 7.529794 0
M  V30 13 S  -3.852715 4.653288 8.804775 0
M  V30 14 C  -4.231326 5.183859 6.350913 0
M  V30 15 C  -2.663299 4.107807 7.629505 0
M  V30 16 C  -3.041270 4.478928 6.405309 0
M  V30 17 C  -2.230904 4.160367 5.175319 0
M  V30 18 C  -0.718079 1.571817 1.247891 0
M  V30 19 C  -1.719474 0.806841 1.816888 0
M  V30 20 C  -0.358891 2.779274 1.817779 0
M  V30 21 C  -2.367287 1.249921 2.953727 0
M  V30 22 C  -1.007837 3.229671 2.951112 0
M  V30 23 C  -2.012628 2.463767 3.524214 0
M  V30 24 O  -2.648117 2.901621 4.642841 0
M  V30 25 C  -0.012706 1.085816 0.008011 0
M  V30 26 C  -0.752699 1.592651 -1.231516 0
M  V30 27 C  -0.047326 1.106650 -2.471395 0
M  V30 28 O  -0.521890 1.431191 -3.684325 0
M  V30 29 O  0.945393 0.424857 -2.373669 0
M  V30 30 C  -6.126744 6.106410 7.738103 0
M  V30 31 C  0.208367 0.928204 -4.834121 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 3 1
M  V30 3 1 4 2
M  V30 12 1 2 11
M  V30 4 1 5 3
M  V30 8 1 3 7
M  V30 5 1 6 4
M  V30 7 1 4 7
M  V30 9 1 4 8
M  V30 6 1 6 5
M  V30 10 1 7 9
M  V30 11 1 7 10
M  V30 33 1 11 30
M  V30 13 1 13 12
M  V30 14 2 14 12
M  V30 32 1 12 30
M  V30 15 1 15 13
M  V30 16 1 16 14
M  V30 17 2 16 15
M  V30 18 1 16 17
M  V30 31 1 17 24
M  V30 19 1 19 18
M  V30 20 2 20 18
M  V30 26 1 18 25
M  V30 21 2 21 19
M  V30 22 1 22 20
M  V30 23 1 23 21
M  V30 24 2 23 22
M  V30 25 1 23 24
M  V30 27 1 25 26
M  V30 28 1 26 27
M  V30 29 1 27 28
M  V30 30 2 27 29
M  V30 34 1 28 31
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1617-s004-mod

>  <DOI>
10.3390/M1617

$$$$

File : molbank-2023-M1617-s003.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 13.1717 -10.8926 0 0
M  V30 2 S 12.5067 -9.7408 0 0
M  V30 3 C 14.4726 -10.6161 0 0
M  V30 4 C 13.3966 -8.7524 0 0
M  V30 5 C 14.6117 -9.2934 0 0
M  V30 6 C 15.7635 -8.6284 0 0
M  V30 7 C 20.3707 -7.2984 0 0
M  V30 8 C 20.3707 -8.6284 0 0
M  V30 9 C 19.2189 -6.6334 0 0
M  V30 10 C 19.2189 -9.2934 0 0
M  V30 11 C 18.0671 -7.2984 0 0
M  V30 12 C 18.0671 -8.6284 0 0
M  V30 13 O 16.9153 -9.2934 0 0
M  V30 14 C 21.5225 -6.6334 0 0
M  V30 15 C 22.6744 -7.2984 0 0
M  V30 16 C 23.8262 -6.6334 0 0
M  V30 17 O 24.978 -7.2984 0 0
M  V30 18 O 23.8262 -5.3034 0 0
M  V30 19 C 12.6307 -12.1076 0 0
M  V30 20 O 13.4125 -13.1836 0 0
M  V30 21 C 26.1298 -6.6334 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 2 3 1
M  V30 3 1 4 2
M  V30 4 1 5 3
M  V30 5 2 5 4
M  V30 6 1 5 6
M  V30 7 1 8 7
M  V30 8 2 9 7
M  V30 9 2 10 8
M  V30 10 1 11 9
M  V30 11 1 12 10
M  V30 12 2 12 11
M  V30 13 1 12 13
M  V30 14 1 7 14
M  V30 15 1 14 15
M  V30 16 1 15 16
M  V30 17 1 16 17
M  V30 18 2 16 18
M  V30 19 1 6 13
M  V30 20 1 1 19
M  V30 21 2 19 20
M  V30 22 1 17 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1617-s003

>  <DOI>
10.3390/M1617

$$$$

File : molbank-2023-M1617-s003-mod.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  0.002075 -0.004068 0.002017 0
M  V30 2 S  1.671785 -0.554970 -0.016884 0
M  V30 3 C  -0.016528 1.367629 0.009561 0
M  V30 4 C  2.250601 1.049942 -0.013792 0
M  V30 5 C  1.236610 1.926161 0.000596 0
M  V30 6 C  1.456903 3.416963 0.006022 0
M  V30 7 C  2.142032 7.924607 1.910167 0
M  V30 8 C  2.029423 7.086933 3.004408 0
M  V30 9 C  2.052499 7.409534 0.630156 0
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M  V30 BEGIN BOND
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M  V30 3 1 4 2
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M  V30 5 2 5 4
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M  V30 16 1 15 16
M  V30 17 1 16 17
M  V30 18 2 16 18
M  V30 22 1 17 21
M  V30 21 2 19 20
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1617-s003-mod

>  <DOI>
10.3390/M1617

$$$$

File : molbank-2023-M1617-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1617-s002

>  <DOI>
10.3390/M1617

$$$$

File : molbank-2023-M1617-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1617-s002-mod

>  <DOI>
10.3390/M1617

$$$$

File : molbank-2023-M1616-s002.mol

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>  <MOL_ID>
molbank-2023-M1616-s002

>  <DOI>
10.3390/M1616

$$$$

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>  <MOL_ID>
molbank-2023-M1615-s002

>  <DOI>
10.3390/M1615

$$$$

File : molbank-2023-M1614-s002.mol

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>  <MOL_ID>
molbank-2023-M1614-s002

>  <DOI>
10.3390/M1614

$$$$

File : molbank-2023-M1613-s002.mol

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M  V30 10 N -0.632354 0.049738 0.000000 0
M  V30 11 C 0.674705 -0.617701 0.000000 0
M  V30 12 S 1.085773 0.094290 0.000000 0
M  V30 13 C 1.907908 0.094291 0.000000 0
M  V30 14 C 2.320408 -0.620181 0.000000 0
M  V30 15 C 3.145408 -0.620181 0.000000 0
M  V30 16 C 3.557908 0.094291 0.000000 0
M  V30 17 C 3.145408 0.808761 0.000000 0
M  V30 18 C 2.320408 0.808761 0.000000 0
M  V30 19 S -2.131447 1.029435 0.000000 0
M  V30 20 C -1.419456 1.440503 0.000000 0
M  V30 21 C -0.704985 1.028003 0.000000 0
M  V30 22 C 0.009485 1.440503 0.000000 0
M  V30 23 C 0.009485 2.265503 0.000000 0
M  V30 24 C -0.704985 2.678003 0.000000 0
M  V30 25 C -1.419456 2.265503 0.000000 0
M  V30 26 N -0.378300 -2.067037 0.000000 0 CHG=1
M  V30 27 O -0.928416 -2.678003 0.000000 0
M  V30 28 O 0.425870 -2.237968 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 2 6 1
M  V30 7 1 2 7
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M  V30 12 1 9 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 2 13 14
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M  V30 26 1 23 24
M  V30 27 2 24 25
M  V30 28 1 25 20
M  V30 29 1 8 26
M  V30 30 2 26 27
M  V30 31 1 26 28
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 26 27 28) XBONDS=(1 29) LABEL=NO2 CSTATE=(4 29 -
M  V30 -0.254054 0.781897 0) SAP=(4 26 8 Al)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1613-s002

>  <DOI>
10.3390/M1613

$$$$

File : molbank-2023-M1612-s002.mol

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>  <MOL_ID>
molbank-2023-M1612-s002

>  <DOI>
10.3390/M1612

$$$$

File : molbank-2023-M1611-s002.mol

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>  <MOL_ID>
molbank-2023-M1611-s002

>  <DOI>
10.3390/M1611

$$$$

File : molbank-2023-M1610-s002.mol

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>  <MOL_ID>
molbank-2023-M1610-s002

>  <DOI>
10.3390/M1610

$$$$

File : molbank-2023-M1609-s002.mol

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molbank-2023-M1609-s002

>  <DOI>
10.3390/M1609

$$$$

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molbank-2023-M1608-s003

>  <DOI>
10.3390/M1608

$$$$

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>  <MOL_ID>
molbank-2023-M1608-s002

>  <DOI>
10.3390/M1608

$$$$

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>  <MOL_ID>
molbank-2023-M1607-s002

>  <DOI>
10.3390/M1607

$$$$

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>  <MOL_ID>
molbank-2023-M1606-s002

>  <DOI>
10.3390/M1606

$$$$

File : molbank-2023-M1605-s002.mol

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>  <MOL_ID>
molbank-2023-M1605-s002

>  <DOI>
10.3390/M1605

$$$$

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>  <MOL_ID>
molbank-2023-M1604-s002

>  <DOI>
10.3390/M1604

$$$$

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>  <MOL_ID>
molbank-2023-M1604-s002-mod

>  <DOI>
10.3390/M1604

$$$$

File : molbank-2023-M1603-s002.mol

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>  <MOL_ID>
molbank-2023-M1603-s002

>  <DOI>
10.3390/M1603

$$$$

File : molbank-2023-M1603-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1603-s002-mod

>  <DOI>
10.3390/M1603

$$$$

File : molbank-2023-M1602-s003.mol

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>  <MOL_ID>
molbank-2023-M1602-s003

>  <DOI>
10.3390/M1602

$$$$

File : molbank-2023-M1602-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1602-s003-mod

>  <DOI>
10.3390/M1602

$$$$

File : molbank-2023-M1602-s002.mol

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>  <MOL_ID>
molbank-2023-M1602-s002

>  <DOI>
10.3390/M1602

$$$$

File : molbank-2023-M1602-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1602-s002-mod

>  <DOI>
10.3390/M1602

$$$$

File : molbank-2023-M1601-s002.mol

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>  <MOL_ID>
molbank-2023-M1601-s002

>  <DOI>
10.3390/M1601

$$$$

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>  <MOL_ID>
molbank-2023-M1601-s002-mod

>  <DOI>
10.3390/M1601

$$$$

File : molbank-2023-M1600-s002.mol

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>  <MOL_ID>
molbank-2023-M1600-s002

>  <DOI>
10.3390/M1600

$$$$

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>  <MOL_ID>
molbank-2023-M1600-s002-mod

>  <DOI>
10.3390/M1600

$$$$

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>  <MOL_ID>
molbank-2023-M1599-s002

>  <DOI>
10.3390/M1599

$$$$

File : molbank-2023-M1599-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1599-s002-mod

>  <DOI>
10.3390/M1599

$$$$

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>  <MOL_ID>
molbank-2023-M1598-s002

>  <DOI>
10.3390/M1598

$$$$

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>  <MOL_ID>
molbank-2023-M1598-s002-mod

>  <DOI>
10.3390/M1598

$$$$

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>  <MOL_ID>
molbank-2023-M1597-s002

>  <DOI>
10.3390/M1597

$$$$

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>  <MOL_ID>
molbank-2023-M1597-s002-mod

>  <DOI>
10.3390/M1597

$$$$

File : molbank-2023-M1596-s002.mol

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>  <MOL_ID>
molbank-2023-M1596-s002

>  <DOI>
10.3390/M1596

$$$$

File : molbank-2023-M1596-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1596-s002-mod

>  <DOI>
10.3390/M1596

$$$$

File : molbank-2023-M1595-s002.mol

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>  <MOL_ID>
molbank-2023-M1595-s002

>  <DOI>
10.3390/M1595

$$$$

File : molbank-2023-M1595-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1595-s002-mod

>  <DOI>
10.3390/M1595

$$$$

File : molbank-2023-M1594-s002.mol

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>  <MOL_ID>
molbank-2023-M1594-s002

>  <DOI>
10.3390/M1594

$$$$

File : molbank-2023-M1594-s002-mod.mol

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   -4.9053    0.9759    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202    1.6834    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3983    7.0494   -4.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156    8.2361   -4.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0187    8.9522   -3.0073 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9307    8.6774   -5.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    9.8247   -5.0379 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978    6.3176   -5.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8012    5.1692   -5.6190 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3116    6.7692   -6.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    6.0610   -7.6446 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267    7.9465   -6.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1368    8.5581   -7.7534 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.9986    6.2168   -2.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5866    6.6026   -3.2657 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1368   14.8247    5.0345 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0
  4 29  1  0
 30  1  1  0
  1  2  2  0
  2  3  1  0
 30 18  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 11  2  0
 11 10  1  0
 10  6  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  2  0
 18 23  1  0
 23 25  2  0
 25 27  1  0
 27 21  2  0
 21 19  1  0
 19 18  2  0
 19 20  1  0
 21 22  1  0
 23 24  1  0
 25 26  1  0
 27 28  1  0
 29 30  2  0
M  CHG  2  30   1  31  -1
M  END
>  <MOL_ID>
molbank-2023-M1594-s002-mod

>  <DOI>
10.3390/M1594

$$$$

File : molbank-2023-M1593-s002.mol

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    1.4519   11.5659    6.5469 C      0
    1.1269   10.7339    6.2910 H      0
    1.3629   12.6419    5.6940 C      0
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    2.4169   14.0339    7.3589 C      0
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    2.5009   12.9519    8.2069 C      0
    2.8738   13.0429    9.0539 H      0
    2.6559   14.0618    3.1060 C      0
    3.1439   13.4609    3.6730 H      0
    3.2509   14.4468    2.4600 H      0
    1.9599   13.5799    2.6530 H      0
    2.0559   15.1378    3.9280 C      0
    1.7469   16.4468    3.6510 C      0
    1.8700   17.2218    2.4060 C      0
    1.6180   18.6948    2.4400 C      0
    1.2630   18.9778    1.5940 H      0
    2.4429   19.1558    2.6100 H      0
    0.9889   18.8968    3.1350 H      0
    2.1618   10.5789    8.6709 N      0
    1.7529   15.0048    5.2460 N      0
    1.2849   16.1688    5.7590 N      0
    1.2819   17.0388    4.7860 N      0
    2.2060   16.5468    1.3670 N      0
    1.8509    9.4899    8.2569 O      0
    2.5928   10.7589    9.7939 O      0
    2.2940   17.3338    0.2170 O      0
    2.6790   16.9128   -0.3730 H      0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  4  6  1
  6  7  1
  7  8  1
  1  9  1
  7  9  1
  9 10  1
 11 12  1
 11 13  1
 11 14  1
 11 15  1
 15 16  1
 16 17  1
 17 18  1
 18 19  1
 18 20  1
 18 21  1
  1 22  1
 22 23  1
 22 24  1
  6 25  1
 15 25  1
 25 26  1
 16 27  1
 26 27  1
 17 28  1
 28 29  1
 29 30  1
 31 32  1
 32 33  1
 32 34  1
 34 35  1
 34 36  1
 36 37  1
 37 38  1
 31 39  1
 37 39  1
 39 40  1
 41 42  1
 41 43  1
 41 44  1
 41 45  1
 45 46  1
 46 47  1
 47 48  1
 48 49  1
 48 50  1
 48 51  1
 31 52  1
 36 53  1
 45 53  1
 53 54  1
 46 55  1
 54 55  1
 47 56  1
 52 57  1
 52 58  1
 56 59  1
 59 60  1
M  END
>  <MOL_ID>
molbank-2023-M1593-s002

>  <DOI>
10.3390/M1593

$$$$

File : molbank-2023-M1593-s002-mod.mol

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    3.3258    5.4310   -3.6297 C      0
    3.8186    5.2549   -4.5858 H      0
    3.7722    4.3691   -2.6226 C      0
    4.8527    4.4254   -2.4903 H      0
    3.0805    4.6163   -1.2805 C      0
    3.4589    6.0043   -0.7597 C      0
    2.9661    6.1804    0.1965 H      0
    3.0125    7.0661   -1.7667 C      0
    3.2821    8.0549   -1.3957 H      0
    1.2909    2.7545   -3.1548 C      0
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    2.3192    2.4764   -3.3859 H      0
    0.6313    1.9117   -3.3618 H      0
    1.1852    3.1336   -1.6763 C      0
   -0.2912    3.1554   -1.2227 C      0
   -0.6335    1.8682   -0.4699 C      0
   -2.0891    1.9231   -0.0016 C      0
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   -2.7453    2.0239   -0.8660 H      0
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   12.6568   14.8550   12.2714 C      0
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   14.0567   16.0404   10.5750 C      0
   13.3839   17.3639   10.9447 C      0
   13.9455   17.8458   11.7450 H      0
   11.9534   17.0946   11.4161 C      0
   11.3918   16.6127   10.6158 H      0
   15.6300   16.0536    7.6704 C      0
   16.4106   15.3367    7.9248 H      0
   14.6968   15.5230    7.4817 H      0
   15.9211   16.6059    6.7769 H      0
   15.4358   17.0297    8.8325 C      0
   16.6308   17.9993    8.9217 C      0
   17.6478   17.6907    7.8211 C      0
   18.8835   18.5737    8.0064 C      0
   19.6081   18.3538    7.2223 H      0
   18.5926   19.6225    7.9486 H      0
   19.3303   18.3736    8.9803 H      0
   10.6106   15.9200   13.0937 N      0
   15.4301   16.2989   10.1225 N      0
   16.1331   17.1911   11.0555 N      0
   17.2290   17.7584   10.2568 N      0
   18.0399   16.2772    7.8990 N      0
    9.9349   17.1658   13.4564 O      0
    9.8527   15.1890   12.0780 O      0
   18.8376   16.0196    9.0980 O      0
   19.1197   15.0995    9.1926 H      0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  4  6  1
  6  7  1
  7  8  1
  1  9  1
  7  9  1
  9 10  1
 11 12  1
 11 13  1
 11 14  1
 11 15  1
 15 16  1
 16 17  1
 17 18  1
 18 19  1
 18 20  1
 18 21  1
  1 22  1
 22 23  1
 22 24  1
  6 25  1
 15 25  1
 25 26  1
 16 27  1
 26 27  1
 17 28  1
 28 29  1
 29 30  1
 31 32  1
 32 33  1
 32 34  1
 34 35  1
 34 36  1
 36 37  1
 37 38  1
 31 39  1
 37 39  1
 39 40  1
 41 42  1
 41 43  1
 41 44  1
 41 45  1
 45 46  1
 46 47  1
 47 48  1
 48 49  1
 48 50  1
 48 51  1
 31 52  1
 36 53  1
 45 53  1
 53 54  1
 46 55  1
 54 55  1
 47 56  1
 52 57  1
 52 58  1
 56 59  1
 59 60  1
M  END
>  <MOL_ID>
molbank-2023-M1593-s002-mod

>  <DOI>
10.3390/M1593

$$$$

File : molbank-2023-M1592-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 72 74 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.274206 -3.054054 4.788570 0
M  V30 2 C 0.193694 -3.434855 5.011270 0
M  V30 3 C 0.561294 -4.656155 4.160870 0
M  V30 4 C -0.195507 -4.699555 2.828470 0
M  V30 5 C -1.594606 -4.095254 2.991670 0
M  V30 6 C -2.210106 -4.248355 4.418770 0
M  V30 7 C 0.570108 -3.909401 1.795720 0
M  V30 8 C -1.525107 -2.577854 3.328770 0
M  V30 9 O 1.702730 -4.221204 1.514280 0
M  V30 10 N -0.018886 -2.839195 1.177733 0
M  V30 11 C 0.716794 -2.079936 0.185362 0
M  V30 12 C -0.159027 -0.951824 -0.343630 0
M  V30 13 C 0.613690 -0.154340 -1.385962 0
M  V30 14 N -0.248903 0.956735 -1.906965 0 CHG=1
M  V30 15 C 0.512144 1.742176 -2.933556 0
M  V30 16 C -1.482705 0.378709 -2.534356 0
M  V30 17 C -0.638551 1.859949 -0.774543 0
M  V30 18 C -0.348725 2.851029 -3.453516 0
M  V30 19 C -0.678492 4.052152 -2.624588 0
M  V30 20 C -2.204083 4.407771 -2.675165 0
M  V30 21 C -1.861272 5.022244 -4.072037 0
M  V30 22 C -1.735599 3.963373 -5.184100 0
M  V30 23 C -0.870163 2.825250 -4.692037 0
M  V30 24 C -0.489441 5.390865 -3.417481 0
M  V30 25 C -3.702191 -3.959408 4.517377 0
M  V30 26 C -2.227231 -5.564714 5.184560 0
M  V30 27 C -2.674341 5.404693 -1.624198 0
M  V30 28 C -3.309178 3.381758 -2.461645 0
M  V30 29 H -1.447727 -2.431726 5.694863 0
M  V30 30 H 0.351065 -3.675761 6.086430 0
M  V30 31 H 0.839259 -2.578515 4.713451 0
M  V30 32 H 0.319116 -5.576826 4.737484 0
M  V30 33 H 1.647640 -4.588990 3.928258 0
M  V30 34 H -0.294323 -5.759097 2.502322 0
M  V30 35 H -2.090436 -4.520300 2.090416 0
M  V30 36 H -2.471589 -2.013950 3.170804 0
M  V30 37 H -0.852530 -1.867841 2.797458 0
M  V30 38 H -0.967739 -2.577983 1.413508 0
M  V30 39 H 1.632274 -1.651040 0.650886 0
M  V30 40 H 1.005913 -2.750121 -0.654895 0
M  V30 41 H -1.074508 -1.380720 -0.809155 0
M  V30 42 H -0.448145 -0.281639 0.496627 0
M  V30 43 H 1.529171 0.274555 -0.920437 0
M  V30 44 H 0.902809 -0.824525 -2.226219 0
M  V30 45 H 1.427625 2.171071 -2.468030 0
M  V30 46 H 0.801263 1.071991 -3.773812 0
M  V30 47 H -2.123505 1.202369 -2.921303 0
M  V30 48 H -2.047736 -0.203551 -1.772464 0
M  V30 49 H -1.192496 -0.291256 -3.374413 0
M  V30 50 H -0.191473 1.482677 0.172323 0
M  V30 51 H -0.265415 2.888969 -0.976182 0
M  V30 52 H -1.747339 1.878379 -0.679561 0
M  V30 53 H -0.133887 3.812529 -1.683974 0
M  V30 54 H -2.510372 5.763477 -4.589735 0
M  V30 55 H -2.746033 3.576266 -5.444754 0
M  V30 56 H -1.272714 4.421966 -6.086430 0
M  V30 57 H -0.665807 1.969786 -5.352657 0
M  V30 58 H -0.492171 6.314888 -2.797044 0
M  V30 59 H 0.424505 5.628086 -4.006716 0
M  V30 60 H -4.202731 -4.778233 5.081072 0
M  V30 61 H -3.858275 -2.994270 5.049276 0
M  V30 62 H -4.135759 -3.894590 3.494349 0
M  V30 63 H -3.268235 -5.795313 5.503782 0
M  V30 64 H -1.851998 -6.380663 4.527143 0
M  V30 65 H -1.574297 -5.480195 6.081947 0
M  V30 66 H -3.595109 5.019070 -1.132009 0
M  V30 67 H -1.876166 5.542411 -0.860836 0
M  V30 68 H -2.895300 6.380663 -2.111465 0
M  V30 69 H -3.997237 3.737672 -1.662477 0
M  V30 70 H -3.878738 3.248262 -3.408507 0
M  V30 71 H -2.859379 2.410014 -2.158061 0
M  V30 72 Br 4.202731 -0.000000 2.806670 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 1 6
M  V30 3 1 1 8
M  V30 4 1 1 29
M  V30 5 1 3 2
M  V30 6 1 2 30
M  V30 7 1 2 31
M  V30 8 1 3 4
M  V30 9 1 3 32
M  V30 10 1 3 33
M  V30 11 1 5 4
M  V30 12 1 4 7
M  V30 13 1 4 34
M  V30 14 1 5 6
M  V30 15 1 8 5
M  V30 16 1 5 35
M  V30 17 1 6 25
M  V30 18 1 6 26
M  V30 19 2 7 9
M  V30 20 1 7 10
M  V30 21 1 8 36
M  V30 22 1 8 37
M  V30 23 1 10 11
M  V30 24 1 10 38
M  V30 25 1 11 12
M  V30 26 1 11 39
M  V30 27 1 11 40
M  V30 28 1 12 13
M  V30 29 1 12 41
M  V30 30 1 12 42
M  V30 31 1 13 14
M  V30 32 1 13 43
M  V30 33 1 13 44
M  V30 34 1 14 15
M  V30 35 1 14 16
M  V30 36 1 14 17
M  V30 37 1 15 18
M  V30 38 1 15 45
M  V30 39 1 15 46
M  V30 40 1 16 47
M  V30 41 1 16 48
M  V30 42 1 16 49
M  V30 43 1 17 50
M  V30 44 1 17 51
M  V30 45 1 17 52
M  V30 46 1 18 19
M  V30 47 2 18 23
M  V30 48 1 19 20
M  V30 49 1 24 19
M  V30 50 1 19 53
M  V30 51 1 21 20
M  V30 52 1 20 27
M  V30 53 1 20 28
M  V30 54 1 22 21
M  V30 55 1 21 24
M  V30 56 1 21 54
M  V30 57 1 23 22
M  V30 58 1 22 55
M  V30 59 1 22 56
M  V30 60 1 23 57
M  V30 61 1 24 58
M  V30 62 1 24 59
M  V30 63 1 25 60
M  V30 64 1 25 61
M  V30 65 1 25 62
M  V30 66 1 26 63
M  V30 67 1 26 64
M  V30 68 1 26 65
M  V30 69 1 27 66
M  V30 70 1 27 67
M  V30 71 1 27 68
M  V30 72 1 28 69
M  V30 73 1 28 70
M  V30 74 1 28 71
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1592-s003

>  <DOI>
10.3390/M1592

$$$$

File : molbank-2023-M1592-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 72 74 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  -0.501156 0.777676 2.562443 0
M  V30 2 C  -1.051498 1.530855 3.786519 0
M  V30 3 C  -2.584986 1.479123 3.728976 0
M  V30 4 C  -3.034300 1.833004 2.304035 0
M  V30 5 C  -2.167836 1.031654 1.316314 0
M  V30 6 C  -0.728844 1.579234 1.266814 0
M  V30 7 C  -4.484658 1.466432 2.122006 0
M  V30 8 C  -1.551864 -0.204489 2.004045 0
M  V30 9 O  -4.805174 0.664386 1.270596 0
M  V30 10 N  -5.425584 2.029886 2.905360 0
M  V30 11 C  -6.835521 1.673530 2.728404 0
M  V30 12 C  -7.687685 2.448409 3.735518 0
M  V30 13 C  -9.160179 2.076242 3.550711 0
M  V30 14 N  -9.978368 2.820227 4.517672 0 CHG=1
M  V30 15 C  -11.392154 2.462898 4.340233 0
M  V30 16 C  -9.554697 2.479358 5.882323 0
M  V30 17 C  -9.806441 4.262410 4.297421 0
M  V30 18 C  -12.231508 3.226129 5.332207 0
M  V30 19 C  -12.447201 2.710852 6.744541 0
M  V30 20 C  -13.953598 2.781451 7.077108 0
M  V30 21 C  -13.702315 4.277996 7.329264 0
M  V30 22 C  -13.635533 5.097206 6.033042 0
M  V30 23 C  -12.809335 4.359837 5.007258 0
M  V30 24 C  -12.291288 3.846574 7.778616 0
M  V30 25 C  0.084994 1.071530 0.074840 0
M  V30 26 C  -0.634644 3.094926 1.453106 0
M  V30 27 C  -14.349227 1.999431 8.331230 0
M  V30 28 C  -14.863427 2.498793 5.879938 0
M  V30 29 H  0.503879 0.377523 2.696165 0
M  V30 30 H  -0.701156 1.052472 4.701128 0
M  V30 31 H  -0.716338 2.567756 3.761942 0
M  V30 32 H  -2.926948 0.475507 3.981797 0
M  V30 33 H  -3.002030 2.198777 4.433442 0
M  V30 34 H  -2.899981 2.900642 2.130232 0
M  V30 35 H  -2.636658 0.856095 0.348076 0
M  V30 36 H  -1.143836 -0.938131 1.308788 0
M  V30 37 H  -2.190571 -0.647925 2.767929 0
M  V30 38 H  -5.169237 2.671359 3.586315 0
M  V30 39 H  -7.149885 1.926455 1.715831 0
M  V30 40 H  -6.963091 0.603428 2.891830 0
M  V30 41 H  -7.373321 2.195484 4.748091 0
M  V30 42 H  -7.560115 3.518511 3.572092 0
M  V30 43 H  -9.474543 2.329168 2.538138 0
M  V30 44 H  -9.287749 1.006140 3.714137 0
M  V30 45 H  -11.706519 2.715824 3.327660 0
M  V30 46 H  -11.519724 1.392797 4.503659 0
M  V30 47 H  -8.505665 2.744494 6.013982 0
M  V30 48 H  -10.161792 3.031399 6.599809 0
M  V30 49 H  -9.682270 1.409257 6.045750 0
M  V30 50 H  -10.120808 4.515336 3.284849 0
M  V30 51 H  -10.413536 4.814448 5.014909 0
M  V30 52 H  -8.757409 4.527548 4.429078 0
M  V30 53 H  -11.935205 1.776567 6.974915 0
M  V30 54 H  -14.313391 4.734359 8.107994 0
M  V30 55 H  -13.178639 6.065177 6.238907 0
M  V30 56 H  -14.643616 5.247563 5.646699 0
M  V30 57 H  -12.694327 4.762135 4.011603 0
M  V30 58 H  -11.510606 4.566379 7.532613 0
M  V30 59 H  -12.243428 3.501586 8.811473 0
M  V30 60 H  0.088762 -0.018464 0.075310 0
M  V30 61 H  1.108553 1.438436 0.151043 0
M  V30 62 H  -0.362538 1.432919 -0.851018 0
M  V30 63 H  -1.006625 3.594736 0.558724 0
M  V30 64 H  -1.235117 3.393389 2.312439 0
M  V30 65 H  0.404919 3.376460 1.620874 0
M  V30 66 H  -15.405134 2.165347 8.544849 0
M  V30 67 H  -14.174537 0.936190 8.166603 0
M  V30 68 H  -13.749864 2.339630 9.175700 0
M  V30 69 H  -14.612247 3.177128 5.064543 0
M  V30 70 H  -14.722984 1.468811 5.552044 0
M  V30 71 H  -15.903226 2.649067 6.170342 0
M  V30 72 Br 6.108553 11.065177 14.175700 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 1 6
M  V30 3 1 1 8
M  V30 4 1 1 29
M  V30 5 1 3 2
M  V30 6 1 2 30
M  V30 7 1 2 31
M  V30 8 1 3 4
M  V30 9 1 3 32
M  V30 10 1 3 33
M  V30 11 1 5 4
M  V30 12 1 4 7
M  V30 13 1 4 34
M  V30 14 1 5 6
M  V30 15 1 8 5
M  V30 16 1 5 35
M  V30 17 1 6 25
M  V30 18 1 6 26
M  V30 19 2 7 9
M  V30 20 1 7 10
M  V30 21 1 8 36
M  V30 22 1 8 37
M  V30 23 1 10 11
M  V30 24 1 10 38
M  V30 25 1 11 12
M  V30 26 1 11 39
M  V30 27 1 11 40
M  V30 28 1 12 13
M  V30 29 1 12 41
M  V30 30 1 12 42
M  V30 31 1 13 14
M  V30 32 1 13 43
M  V30 33 1 13 44
M  V30 34 1 14 15
M  V30 35 1 14 16
M  V30 36 1 14 17
M  V30 37 1 15 18
M  V30 38 1 15 45
M  V30 39 1 15 46
M  V30 40 1 16 47
M  V30 41 1 16 48
M  V30 42 1 16 49
M  V30 43 1 17 50
M  V30 44 1 17 51
M  V30 45 1 17 52
M  V30 46 1 18 19
M  V30 47 2 18 23
M  V30 48 1 19 20
M  V30 49 1 24 19
M  V30 50 1 19 53
M  V30 51 1 21 20
M  V30 52 1 20 27
M  V30 53 1 20 28
M  V30 54 1 22 21
M  V30 55 1 21 24
M  V30 56 1 21 54
M  V30 57 1 23 22
M  V30 58 1 22 55
M  V30 59 1 22 56
M  V30 60 1 23 57
M  V30 61 1 24 58
M  V30 62 1 24 59
M  V30 63 1 25 60
M  V30 64 1 25 61
M  V30 65 1 25 62
M  V30 66 1 26 63
M  V30 67 1 26 64
M  V30 68 1 26 65
M  V30 69 1 27 66
M  V30 70 1 27 67
M  V30 71 1 27 68
M  V30 72 1 28 69
M  V30 73 1 28 70
M  V30 74 1 28 71
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1592-s003-mod

>  <DOI>
10.3390/M1592

$$$$

File : molbank-2023-M1592-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 70 72 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.942839 5.677183 1.127669 0
M  V30 2 C -3.472540 5.267183 1.336968 0
M  V30 3 C -3.255340 3.884283 0.765269 0
M  V30 4 C -4.269840 3.217684 0.188270 0
M  V30 5 C -5.588239 3.924283 0.155069 0
M  V30 6 C -5.956438 4.559583 1.539769 0
M  V30 7 C -4.108456 1.981211 -0.331625 0
M  V30 8 C -5.453739 5.409783 -0.326230 0
M  V30 9 O -5.044667 1.413811 -0.842338 0
M  V30 10 N -2.883935 1.371287 -0.279666 0
M  V30 11 C -2.710726 0.044207 -0.837657 0
M  V30 12 C -1.266222 -0.401044 -0.651412 0
M  V30 13 C -1.084292 -1.794936 -1.237495 0
M  V30 14 N 0.338397 -2.233463 -1.054061 0 CHG=1
M  V30 15 C 0.517578 -3.606304 -1.631294 0
M  V30 16 C 1.251438 -1.273184 -1.757068 0
M  V30 17 C 0.668699 -2.259414 0.408889 0
M  V30 18 C 1.937422 -4.043955 -1.448227 0
M  V30 19 C 2.482602 -4.421276 -0.106971 0
M  V30 20 C 3.872441 -3.755161 0.177788 0
M  V30 21 C 4.432536 -4.873190 -0.761707 0
M  V30 22 C 4.223814 -4.567082 -2.257173 0
M  V30 23 C 2.796281 -4.120689 -2.479230 0
M  V30 24 C 3.297155 -5.759568 -0.152212 0
M  V30 25 C -7.402958 5.014342 1.682255 0
M  V30 26 C -5.872910 3.799570 2.856936 0
M  V30 27 C 4.342923 -3.825854 1.624569 0
M  V30 28 C 4.147219 -2.271886 -0.031778 0
M  V30 29 H -4.924943 6.688045 1.593078 0
M  V30 30 H -2.806803 5.992721 0.818166 0
M  V30 31 H -3.236664 5.263372 2.424680 0
M  V30 32 H -2.259581 3.420344 0.822028 0
M  V30 33 H -6.218718 3.165654 -0.360436 0
M  V30 34 H -6.410894 5.911164 -0.593136 0
M  V30 35 H -4.887969 5.708009 -1.237128 0
M  V30 36 H -2.099626 1.846626 0.148184 0
M  V30 37 H -3.388202 -0.668320 -0.316027 0
M  V30 38 H -2.955810 0.063463 -1.923167 0
M  V30 39 H -0.588746 0.311482 -1.173042 0
M  V30 40 H -1.021138 -0.420300 0.434098 0
M  V30 41 H -1.761770 -2.507463 -0.715864 0
M  V30 42 H -1.329377 -1.775680 -2.323004 0
M  V30 43 H -0.159898 -4.318831 -1.109663 0
M  V30 44 H 0.272494 -3.587049 -2.716804 0
M  V30 45 H 2.307424 -1.597688 -1.621571 0
M  V30 46 H 1.118952 -0.254659 -1.328323 0
M  V30 47 H 1.005536 -1.254688 -2.842406 0
M  V30 48 H -0.223239 -1.946945 0.996748 0
M  V30 49 H 0.963861 -3.291248 0.703788 0
M  V30 50 H 1.510143 -1.559649 0.611541 0
M  V30 51 H 1.585126 -4.269129 0.533463 0
M  V30 52 H 5.502964 -5.177578 -0.779004 0
M  V30 53 H 4.919712 -3.757360 -2.571565 0
M  V30 54 H 4.427310 -5.481639 -2.857959 0
M  V30 55 H 2.458164 -3.856773 -3.492158 0
M  V30 56 H 3.526598 -6.209782 0.839469 0
M  V30 57 H 2.920337 -6.688045 -0.636676 0
M  V30 58 H -7.818502 4.635824 2.642888 0
M  V30 59 H -7.444223 6.126541 1.673424 0
M  V30 60 H -8.002963 4.613193 0.834999 0
M  V30 61 H -6.849318 3.866346 3.386970 0
M  V30 62 H -5.633851 2.731669 2.653943 0
M  V30 63 H -5.074914 4.245060 3.492158 0
M  V30 64 H 4.687602 -2.819739 1.952741 0
M  V30 65 H 3.500980 -4.158442 2.272090 0
M  V30 66 H 5.183599 -4.550684 1.706134 0
M  V30 67 H 4.563637 -1.835403 0.903555 0
M  V30 68 H 4.881011 -2.144292 -0.858843 0
M  V30 69 H 3.198285 -1.752252 -0.293065 0
M  V30 70 Br 8.002963 -0.000000 0.199769 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 1 6
M  V30 3 1 1 8
M  V30 4 1 1 29
M  V30 5 1 3 2
M  V30 6 1 2 30
M  V30 7 1 2 31
M  V30 8 2 4 3
M  V30 9 1 3 32
M  V30 10 1 4 5
M  V30 11 1 4 7
M  V30 12 1 6 5
M  V30 13 1 5 8
M  V30 14 1 5 33
M  V30 15 1 6 25
M  V30 16 1 6 26
M  V30 17 2 7 9
M  V30 18 1 7 10
M  V30 19 1 8 34
M  V30 20 1 8 35
M  V30 21 1 10 11
M  V30 22 1 10 36
M  V30 23 1 11 12
M  V30 24 1 11 37
M  V30 25 1 11 38
M  V30 26 1 12 13
M  V30 27 1 12 39
M  V30 28 1 12 40
M  V30 29 1 13 14
M  V30 30 1 13 41
M  V30 31 1 13 42
M  V30 32 1 14 15
M  V30 33 1 14 16
M  V30 34 1 14 17
M  V30 35 1 15 18
M  V30 36 1 15 43
M  V30 37 1 15 44
M  V30 38 1 16 45
M  V30 39 1 16 46
M  V30 40 1 16 47
M  V30 41 1 17 48
M  V30 42 1 17 49
M  V30 43 1 17 50
M  V30 44 1 18 19
M  V30 45 2 18 23
M  V30 46 1 19 20
M  V30 47 1 24 19
M  V30 48 1 19 51
M  V30 49 1 21 20
M  V30 50 1 20 27
M  V30 51 1 20 28
M  V30 52 1 22 21
M  V30 53 1 21 24
M  V30 54 1 21 52
M  V30 55 1 23 22
M  V30 56 1 22 53
M  V30 57 1 22 54
M  V30 58 1 23 55
M  V30 59 1 24 56
M  V30 60 1 24 57
M  V30 61 1 25 58
M  V30 62 1 25 59
M  V30 63 1 25 60
M  V30 64 1 26 61
M  V30 65 1 26 62
M  V30 66 1 26 63
M  V30 67 1 27 64
M  V30 68 1 27 65
M  V30 69 1 27 66
M  V30 70 1 28 67
M  V30 71 1 28 68
M  V30 72 1 28 69
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1592-s002

>  <DOI>
10.3390/M1592

$$$$

File : molbank-2023-M1592-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 70 72 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  -2.531442 2.883713 -10.441578 0
M  V30 2 C  -1.372897 1.998403 -10.919347 0
M  V30 3 C  -0.599719 1.484342 -9.728721 0
M  V30 4 C  -1.026350 1.772005 -8.497831 0
M  V30 5 C  -2.274796 2.629711 -8.379556 0
M  V30 6 C  -2.123716 3.851960 -9.318431 0
M  V30 7 C  -0.314887 1.284709 -7.306092 0
M  V30 8 C  -3.365589 2.164714 -9.362071 0
M  V30 9 O  0.682180 0.599669 -7.430880 0
M  V30 10 N  -0.768014 1.597425 -6.075909 0
M  V30 11 C  -0.059459 1.112121 -4.889041 0
M  V30 12 C  -0.775600 1.605537 -3.630239 0
M  V30 13 C  -0.035607 1.098701 -2.390712 0
M  V30 14 N  -0.723196 1.572444 -1.182097 0 CHG=1
M  V30 15 C  -0.012706 1.085816 0.008011 0
M  V30 16 C  -2.101350 1.063974 -1.171671 0
M  V30 17 C  -0.743120 3.041287 -1.174016 0
M  V30 18 C  -0.718079 1.571817 1.247891 0
M  V30 19 C  -0.431996 2.944575 1.831337 0
M  V30 20 C  -0.282320 2.879926 3.362697 0
M  V30 21 C  -1.821552 2.783673 3.386029 0
M  V30 22 C  -2.282662 1.346141 3.109205 0
M  V30 23 C  -1.608017 0.826923 1.862634 0
M  V30 24 C  -1.779595 3.651779 2.116778 0
M  V30 25 C  -3.142989 4.962872 -9.057937 0
M  V30 26 C  -0.688429 4.368561 -9.436647 0
M  V30 27 C  0.267350 4.164559 3.985979 0
M  V30 28 C  0.427523 1.620240 3.862911 0
M  V30 29 H  -3.112306 3.322988 -11.252586 0
M  V30 30 H  -1.769845 1.157662 -11.488282 0
M  V30 31 H  -0.707296 2.583562 -11.553905 0
M  V30 32 H  0.288227 0.886518 -9.872100 0
M  V30 33 H  -2.600725 2.827400 -7.358386 0
M  V30 34 H  -3.412597 1.083148 -9.488983 0
M  V30 35 H  -4.341556 2.615864 -9.183041 0
M  V30 36 H  -1.563281 2.143817 -5.976377 0
M  V30 37 H  0.963134 1.489407 -4.896777 0
M  V30 38 H  -0.044675 0.022238 -4.895037 0
M  V30 39 H  -1.798192 1.228251 -3.622503 0
M  V30 40 H  -0.790383 2.695420 -3.624243 0
M  V30 41 H  0.986986 1.475987 -2.398448 0
M  V30 42 H  -0.020823 0.008818 -2.396707 0
M  V30 43 H  0.002075 -0.004068 0.002017 0
M  V30 44 H  1.009888 1.463099 0.000274 0
M  V30 45 H  -2.611541 1.415489 -0.274875 0
M  V30 46 H  -2.628536 1.425055 -2.054731 0
M  V30 47 H  -2.086566 -0.025910 -1.177669 0
M  V30 48 H  0.279472 3.418573 -1.181755 0
M  V30 49 H  -1.270307 3.402366 -2.057077 0
M  V30 50 H  -1.253310 3.392805 -0.277221 0
M  V30 51 H  0.325195 3.520270 1.299041 0
M  V30 52 H  -2.297663 3.239741 4.254027 0
M  V30 53 H  -2.022544 0.712244 3.956917 0
M  V30 54 H  -3.363075 1.333147 2.965548 0
M  V30 55 H  -1.853243 -0.152960 1.480413 0
M  V30 56 H  -1.684744 4.719413 2.314926 0
M  V30 57 H  -2.562626 3.417652 1.395566 0
M  V30 58 H  -2.825267 5.553265 -8.198525 0
M  V30 59 H  -3.211570 5.606068 -9.935260 0
M  V30 60 H  -4.118279 4.520717 -8.854446 0
M  V30 61 H  -0.001478 3.523936 -9.489620 0
M  V30 62 H  -0.592650 4.971961 -10.339329 0
M  V30 63 H  -0.448636 4.977822 -8.565212 0
M  V30 64 H  -0.404258 4.993335 3.761987 0
M  V30 65 H  0.343689 4.040519 5.066204 0
M  V30 66 H  1.254215 4.375019 3.573784 0
M  V30 67 H  1.430453 1.575517 3.438372 0
M  V30 68 H  0.494279 1.648431 4.950499 0
M  V30 69 H  -0.136455 0.739348 3.556221 0
M  V30 70 Br 6.430453 10.606068 10.066204 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 1 6
M  V30 3 1 1 8
M  V30 4 1 1 29
M  V30 5 1 3 2
M  V30 6 1 2 30
M  V30 7 1 2 31
M  V30 8 2 4 3
M  V30 9 1 3 32
M  V30 10 1 4 5
M  V30 11 1 4 7
M  V30 12 1 6 5
M  V30 13 1 5 8
M  V30 14 1 5 33
M  V30 15 1 6 25
M  V30 16 1 6 26
M  V30 17 2 7 9
M  V30 18 1 7 10
M  V30 19 1 8 34
M  V30 20 1 8 35
M  V30 21 1 10 11
M  V30 22 1 10 36
M  V30 23 1 11 12
M  V30 24 1 11 37
M  V30 25 1 11 38
M  V30 26 1 12 13
M  V30 27 1 12 39
M  V30 28 1 12 40
M  V30 29 1 13 14
M  V30 30 1 13 41
M  V30 31 1 13 42
M  V30 32 1 14 15
M  V30 33 1 14 16
M  V30 34 1 14 17
M  V30 35 1 15 18
M  V30 36 1 15 43
M  V30 37 1 15 44
M  V30 38 1 16 45
M  V30 39 1 16 46
M  V30 40 1 16 47
M  V30 41 1 17 48
M  V30 42 1 17 49
M  V30 43 1 17 50
M  V30 44 1 18 19
M  V30 45 2 18 23
M  V30 46 1 19 20
M  V30 47 1 24 19
M  V30 48 1 19 51
M  V30 49 1 21 20
M  V30 50 1 20 27
M  V30 51 1 20 28
M  V30 52 1 22 21
M  V30 53 1 21 24
M  V30 54 1 21 52
M  V30 55 1 23 22
M  V30 56 1 22 53
M  V30 57 1 22 54
M  V30 58 1 23 55
M  V30 59 1 24 56
M  V30 60 1 24 57
M  V30 61 1 25 58
M  V30 62 1 25 59
M  V30 63 1 25 60
M  V30 64 1 26 61
M  V30 65 1 26 62
M  V30 66 1 26 63
M  V30 67 1 27 64
M  V30 68 1 27 65
M  V30 69 1 27 66
M  V30 70 1 28 67
M  V30 71 1 28 68
M  V30 72 1 28 69
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1592-s002-mod

>  <DOI>
10.3390/M1592

$$$$

File : molbank-2023-M1591-s004.mol

 20 23  0  0  0  0  0  0  0  0999 V2000
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   22.4908  -15.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0604  -15.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6300  -15.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6300  -14.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0604  -14.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1971  -13.4225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8513  -13.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1188  -13.9546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1801  -12.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1996  -15.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9212  -15.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3516  -15.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3516  -14.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9212  -14.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9212  -13.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3516  -13.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7820  -13.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7820  -14.0659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2124  -13.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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>  <MOL_ID>
molbank-2023-M1591-s004

>  <DOI>
10.3390/M1591

$$$$

File : molbank-2023-M1591-s004-mod.mol

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>  <MOL_ID>
molbank-2023-M1591-s004-mod

>  <DOI>
10.3390/M1591

$$$$

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>  <MOL_ID>
molbank-2023-M1591-s003

>  <DOI>
10.3390/M1591

$$$$

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>  <MOL_ID>
molbank-2023-M1591-s003-mod

>  <DOI>
10.3390/M1591

$$$$

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>  <MOL_ID>
molbank-2023-M1591-s002

>  <DOI>
10.3390/M1591

$$$$

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>  <MOL_ID>
molbank-2023-M1591-s002-mod

>  <DOI>
10.3390/M1591

$$$$

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>  <MOL_ID>
molbank-2023-M1590-s002

>  <DOI>
10.3390/M1590

$$$$

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>  <MOL_ID>
molbank-2023-M1590-s002-mod

>  <DOI>
10.3390/M1590

$$$$

File : molbank-2023-M1589-s002.mol

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>  <MOL_ID>
molbank-2023-M1589-s002

>  <DOI>
10.3390/M1589

$$$$

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>  <MOL_ID>
molbank-2023-M1589-s002-mod

>  <DOI>
10.3390/M1589

$$$$

File : molbank-2023-M1588-s002.mol

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>  <MOL_ID>
molbank-2023-M1588-s002

>  <DOI>
10.3390/M1588

$$$$

File : molbank-2023-M1588-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1588-s002-mod

>  <DOI>
10.3390/M1588

$$$$

File : molbank-2023-M1587-s002.mol

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>  <MOL_ID>
molbank-2023-M1587-s002

>  <DOI>
10.3390/M1587

$$$$

File : molbank-2023-M1587-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1587-s002-mod

>  <DOI>
10.3390/M1587

$$$$

File : molbank-2023-M1586-s002.mol

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>  <MOL_ID>
molbank-2023-M1586-s002

>  <DOI>
10.3390/M1586

$$$$

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>  <MOL_ID>
molbank-2023-M1586-s002-mod

>  <DOI>
10.3390/M1586

$$$$

File : molbank-2023-M1585-s002.mol

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>  <MOL_ID>
molbank-2023-M1585-s002

>  <DOI>
10.3390/M1585

$$$$

File : molbank-2023-M1585-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1585-s002-mod

>  <DOI>
10.3390/M1585

$$$$

File : molbank-2023-M1584-s002.mol

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>  <MOL_ID>
molbank-2023-M1584-s002

>  <DOI>
10.3390/M1584

$$$$

File : molbank-2023-M1584-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1584-s002-mod

>  <DOI>
10.3390/M1584

$$$$

File : molbank-2023-M1583-s002.mol

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>  <MOL_ID>
molbank-2023-M1583-s002

>  <DOI>
10.3390/M1583

$$$$

File : molbank-2023-M1583-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1583-s002-mod

>  <DOI>
10.3390/M1583

$$$$

File : molbank-2023-M1582-s002.mol

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>  <MOL_ID>
molbank-2023-M1582-s002

>  <DOI>
10.3390/M1582

$$$$

File : molbank-2023-M1582-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1582-s002-mod

>  <DOI>
10.3390/M1582

$$$$

File : molbank-2023-M1581-s002.mol

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>  <MOL_ID>
molbank-2023-M1581-s002

>  <DOI>
10.3390/M1581

$$$$

File : molbank-2023-M1581-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1581-s002-mod

>  <DOI>
10.3390/M1581

$$$$

File : molbank-2023-M1578-s002.mol

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>  <MOL_ID>
molbank-2023-M1578-s002

>  <DOI>
10.3390/M1578

$$$$

File : molbank-2023-M1578-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1578-s002-mod

>  <DOI>
10.3390/M1578

$$$$

File : molbank-2023-M1577-s004.mol

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M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1577-s004

>  <DOI>
10.3390/M1577

$$$$

File : molbank-2023-M1577-s004-mod.mol

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M  V30 40 O 2.972536 2.104726 0.000000 0
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M  V30 42 O -1.683473 -0.028940 0.000000 0
M  V30 43 C -2.397945 -0.441440 0.000000 0
M  V30 44 H -2.480362 0.184586 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 2 7
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 13 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 1 3 17
M  V30 17 1 4 18
M  V30 18 1 18 19
M  V30 19 2 14 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 24 14
M  V30 25 1 24 25
M  V30 26 1 23 26
M  V30 27 1 26 27
M  V30 28 1 28 8
M  V30 29 1 28 12
M  V30 30 1 28 25
M  V30 31 1 29 17
M  V30 32 1 29 25
M  V30 33 1 29 18
M  V30 34 1 29 26
M  V30 35 1 17 28
M  V30 36 2 8 7
M  V30 37 1 30 29
M  V30 38 1 31 29
M  V30 39 1 32 29
M  V30 40 1 33 29
M  V30 41 1 34 29
M  V30 42 1 35 29
M  V30 43 1 30 36
M  V30 44 1 36 31
M  V30 45 1 32 37
M  V30 46 1 33 37
M  V30 47 1 34 38
M  V30 48 1 35 38
M  V30 49 2 38 39
M  V30 50 2 36 40
M  V30 51 2 37 41
M  V30 52 1 42 28
M  V30 53 1 42 43
M  V30 54 1 42 44
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1577-s004-mod

>  <DOI>
10.3390/M1577

$$$$

File : molbank-2023-M1577-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 54 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.033845 3.089984 0.000000 0
M  V30 2 C -1.033845 2.264984 0.000000 0
M  V30 3 C -0.319374 1.852484 0.000000 0
M  V30 4 C 0.395097 2.264984 0.000000 0
M  V30 5 C 0.395097 3.089984 0.000000 0
M  V30 6 C -0.319374 3.502484 0.000000 0
M  V30 7 C -1.748316 1.852484 0.000000 0
M  V30 8 N -1.748316 1.027484 0.000000 0
M  V30 9 C -2.462787 0.614984 0.000000 0
M  V30 10 C -2.875287 -0.099487 0.000000 0
M  V30 11 C -2.462787 -0.813958 0.000000 0
M  V30 12 N -1.665898 -1.027484 0.000000 0
M  V30 13 C -1.665898 -1.852484 0.000000 0
M  V30 14 C -0.951427 -2.264984 0.000000 0
M  V30 15 C -3.589758 -0.511987 0.000000 0
M  V30 16 C -3.589758 0.313013 0.000000 0
M  V30 17 O -0.319374 1.027484 0.000000 0
M  V30 18 O 1.109568 1.852484 0.000000 0
M  V30 19 C 1.824039 2.264984 0.000000 0
M  V30 20 C -0.951427 -3.089984 0.000000 0
M  V30 21 C -0.236956 -3.502484 0.000000 0
M  V30 22 C 0.477514 -3.089984 0.000000 0
M  V30 23 C 0.477514 -2.264984 0.000000 0
M  V30 24 C -0.236956 -1.852484 0.000000 0
M  V30 25 O -0.236956 -1.027484 0.000000 0
M  V30 26 O 1.191985 -1.852484 0.000000 0
M  V30 27 C 1.906457 -2.264984 0.000000 0
M  V30 28 Cu -0.965442 0.004200 0.000000 0
M  V30 29 Nd 1.133417 -0.039986 0.000000 0
M  V30 30 O 1.674702 1.108863 0.000000 0
M  V30 31 O 1.984007 0.810604 0.000000 0
M  V30 32 O 2.050287 0.291412 0.000000 0
M  V30 33 O 2.094473 -0.305106 0.000000 0
M  V30 34 O 1.895634 -0.658598 0.000000 0
M  V30 35 O 1.520049 -0.912670 0.000000 0
M  V30 36 N 2.389172 1.521363 0.000000 0
M  V30 37 N 2.764758 -0.121088 0.000000 0
M  V30 38 N 2.109159 -1.455486 0.000000 0
M  V30 39 O 2.521659 -2.169956 0.000000 0
M  V30 40 O 2.972536 2.104726 0.000000 0
M  V30 41 O 3.589758 -0.121088 0.000000 0
M  V30 42 O -1.683473 -0.028940 0.000000 0
M  V30 43 C -2.397945 -0.441440 0.000000 0
M  V30 44 H -2.480362 0.184586 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 2 7
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 13 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 1 3 17
M  V30 17 1 4 18
M  V30 18 1 18 19
M  V30 19 2 14 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 24 14
M  V30 25 1 24 25
M  V30 26 1 23 26
M  V30 27 1 26 27
M  V30 28 1 28 8
M  V30 29 1 28 12
M  V30 30 1 28 25
M  V30 31 1 29 17
M  V30 32 1 29 25
M  V30 33 1 29 18
M  V30 34 1 29 26
M  V30 35 1 17 28
M  V30 36 2 8 7
M  V30 37 1 30 29
M  V30 38 1 31 29
M  V30 39 1 32 29
M  V30 40 1 33 29
M  V30 41 1 34 29
M  V30 42 1 35 29
M  V30 43 1 30 36
M  V30 44 1 36 31
M  V30 45 1 32 37
M  V30 46 1 33 37
M  V30 47 1 34 38
M  V30 48 1 35 38
M  V30 49 2 38 39
M  V30 50 2 36 40
M  V30 51 2 37 41
M  V30 52 1 42 28
M  V30 53 1 42 43
M  V30 54 1 42 44
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1577-s003

>  <DOI>
10.3390/M1577

$$$$

File : molbank-2023-M1577-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 54 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.033845 3.089984 0.000000 0
M  V30 2 C -1.033845 2.264984 0.000000 0
M  V30 3 C -0.319374 1.852484 0.000000 0
M  V30 4 C 0.395097 2.264984 0.000000 0
M  V30 5 C 0.395097 3.089984 0.000000 0
M  V30 6 C -0.319374 3.502484 0.000000 0
M  V30 7 C -1.748316 1.852484 0.000000 0
M  V30 8 N -1.748316 1.027484 0.000000 0
M  V30 9 C -2.462787 0.614984 0.000000 0
M  V30 10 C -2.875287 -0.099487 0.000000 0
M  V30 11 C -2.462787 -0.813958 0.000000 0
M  V30 12 N -1.665898 -1.027484 0.000000 0
M  V30 13 C -1.665898 -1.852484 0.000000 0
M  V30 14 C -0.951427 -2.264984 0.000000 0
M  V30 15 C -3.589758 -0.511987 0.000000 0
M  V30 16 C -3.589758 0.313013 0.000000 0
M  V30 17 O -0.319374 1.027484 0.000000 0
M  V30 18 O 1.109568 1.852484 0.000000 0
M  V30 19 C 1.824039 2.264984 0.000000 0
M  V30 20 C -0.951427 -3.089984 0.000000 0
M  V30 21 C -0.236956 -3.502484 0.000000 0
M  V30 22 C 0.477514 -3.089984 0.000000 0
M  V30 23 C 0.477514 -2.264984 0.000000 0
M  V30 24 C -0.236956 -1.852484 0.000000 0
M  V30 25 O -0.236956 -1.027484 0.000000 0
M  V30 26 O 1.191985 -1.852484 0.000000 0
M  V30 27 C 1.906457 -2.264984 0.000000 0
M  V30 28 Cu -0.965442 0.004200 0.000000 0
M  V30 29 Nd 1.133417 -0.039986 0.000000 0
M  V30 30 O 1.674702 1.108863 0.000000 0
M  V30 31 O 1.984007 0.810604 0.000000 0
M  V30 32 O 2.050287 0.291412 0.000000 0
M  V30 33 O 2.094473 -0.305106 0.000000 0
M  V30 34 O 1.895634 -0.658598 0.000000 0
M  V30 35 O 1.520049 -0.912670 0.000000 0
M  V30 36 N 2.389172 1.521363 0.000000 0
M  V30 37 N 2.764758 -0.121088 0.000000 0
M  V30 38 N 2.109159 -1.455486 0.000000 0
M  V30 39 O 2.521659 -2.169956 0.000000 0
M  V30 40 O 2.972536 2.104726 0.000000 0
M  V30 41 O 3.589758 -0.121088 0.000000 0
M  V30 42 O -1.683473 -0.028940 0.000000 0
M  V30 43 C -2.397945 -0.441440 0.000000 0
M  V30 44 H -2.480362 0.184586 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 2 7
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 13 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 1 3 17
M  V30 17 1 4 18
M  V30 18 1 18 19
M  V30 19 2 14 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 24 14
M  V30 25 1 24 25
M  V30 26 1 23 26
M  V30 27 1 26 27
M  V30 28 1 28 8
M  V30 29 1 28 12
M  V30 30 1 28 25
M  V30 31 1 29 17
M  V30 32 1 29 25
M  V30 33 1 29 18
M  V30 34 1 29 26
M  V30 35 1 17 28
M  V30 36 2 8 7
M  V30 37 1 30 29
M  V30 38 1 31 29
M  V30 39 1 32 29
M  V30 40 1 33 29
M  V30 41 1 34 29
M  V30 42 1 35 29
M  V30 43 1 30 36
M  V30 44 1 36 31
M  V30 45 1 32 37
M  V30 46 1 33 37
M  V30 47 1 34 38
M  V30 48 1 35 38
M  V30 49 2 38 39
M  V30 50 2 36 40
M  V30 51 2 37 41
M  V30 52 1 42 28
M  V30 53 1 42 43
M  V30 54 1 42 44
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1577-s003-mod

>  <DOI>
10.3390/M1577

$$$$

File : molbank-2023-M1577-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 54 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.033845 3.089984 0.000000 0
M  V30 2 C -1.033845 2.264984 0.000000 0
M  V30 3 C -0.319374 1.852484 0.000000 0
M  V30 4 C 0.395097 2.264984 0.000000 0
M  V30 5 C 0.395097 3.089984 0.000000 0
M  V30 6 C -0.319374 3.502484 0.000000 0
M  V30 7 C -1.748316 1.852484 0.000000 0
M  V30 8 N -1.748316 1.027484 0.000000 0
M  V30 9 C -2.462787 0.614984 0.000000 0
M  V30 10 C -2.875287 -0.099487 0.000000 0
M  V30 11 C -2.462787 -0.813958 0.000000 0
M  V30 12 N -1.665898 -1.027484 0.000000 0
M  V30 13 C -1.665898 -1.852484 0.000000 0
M  V30 14 C -0.951427 -2.264984 0.000000 0
M  V30 15 C -3.589758 -0.511987 0.000000 0
M  V30 16 C -3.589758 0.313013 0.000000 0
M  V30 17 O -0.319374 1.027484 0.000000 0
M  V30 18 O 1.109568 1.852484 0.000000 0
M  V30 19 C 1.824039 2.264984 0.000000 0
M  V30 20 C -0.951427 -3.089984 0.000000 0
M  V30 21 C -0.236956 -3.502484 0.000000 0
M  V30 22 C 0.477514 -3.089984 0.000000 0
M  V30 23 C 0.477514 -2.264984 0.000000 0
M  V30 24 C -0.236956 -1.852484 0.000000 0
M  V30 25 O -0.236956 -1.027484 0.000000 0
M  V30 26 O 1.191985 -1.852484 0.000000 0
M  V30 27 C 1.906457 -2.264984 0.000000 0
M  V30 28 Cu -0.965442 0.004200 0.000000 0
M  V30 29 Ce 1.133417 -0.039986 0.000000 0
M  V30 30 O 1.674702 1.108863 0.000000 0
M  V30 31 O 1.984007 0.810604 0.000000 0
M  V30 32 O 2.050287 0.291412 0.000000 0
M  V30 33 O 2.094473 -0.305106 0.000000 0
M  V30 34 O 1.895634 -0.658598 0.000000 0
M  V30 35 O 1.520049 -0.912670 0.000000 0
M  V30 36 N 2.389172 1.521363 0.000000 0
M  V30 37 N 2.764758 -0.121088 0.000000 0
M  V30 38 N 2.109159 -1.455486 0.000000 0
M  V30 39 O 2.521659 -2.169956 0.000000 0
M  V30 40 O 2.972536 2.104726 0.000000 0
M  V30 41 O 3.589758 -0.121088 0.000000 0
M  V30 42 O -1.683473 -0.028940 0.000000 0
M  V30 43 C -2.397945 -0.441440 0.000000 0
M  V30 44 H -2.480362 0.184586 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 2 7
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 13 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 1 3 17
M  V30 17 1 4 18
M  V30 18 1 18 19
M  V30 19 2 14 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 24 14
M  V30 25 1 24 25
M  V30 26 1 23 26
M  V30 27 1 26 27
M  V30 28 1 28 8
M  V30 29 1 28 12
M  V30 30 1 28 25
M  V30 31 1 29 17
M  V30 32 1 29 25
M  V30 33 1 29 18
M  V30 34 1 29 26
M  V30 35 1 17 28
M  V30 36 2 8 7
M  V30 37 1 30 29
M  V30 38 1 31 29
M  V30 39 1 32 29
M  V30 40 1 33 29
M  V30 41 1 34 29
M  V30 42 1 35 29
M  V30 43 1 30 36
M  V30 44 1 36 31
M  V30 45 1 32 37
M  V30 46 1 33 37
M  V30 47 1 34 38
M  V30 48 1 35 38
M  V30 49 2 38 39
M  V30 50 2 36 40
M  V30 51 2 37 41
M  V30 52 1 42 28
M  V30 53 1 42 43
M  V30 54 1 42 44
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1577-s002

>  <DOI>
10.3390/M1577

$$$$

File : molbank-2023-M1577-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 54 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.033845 3.089984 0.000000 0
M  V30 2 C -1.033845 2.264984 0.000000 0
M  V30 3 C -0.319374 1.852484 0.000000 0
M  V30 4 C 0.395097 2.264984 0.000000 0
M  V30 5 C 0.395097 3.089984 0.000000 0
M  V30 6 C -0.319374 3.502484 0.000000 0
M  V30 7 C -1.748316 1.852484 0.000000 0
M  V30 8 N -1.748316 1.027484 0.000000 0
M  V30 9 C -2.462787 0.614984 0.000000 0
M  V30 10 C -2.875287 -0.099487 0.000000 0
M  V30 11 C -2.462787 -0.813958 0.000000 0
M  V30 12 N -1.665898 -1.027484 0.000000 0
M  V30 13 C -1.665898 -1.852484 0.000000 0
M  V30 14 C -0.951427 -2.264984 0.000000 0
M  V30 15 C -3.589758 -0.511987 0.000000 0
M  V30 16 C -3.589758 0.313013 0.000000 0
M  V30 17 O -0.319374 1.027484 0.000000 0
M  V30 18 O 1.109568 1.852484 0.000000 0
M  V30 19 C 1.824039 2.264984 0.000000 0
M  V30 20 C -0.951427 -3.089984 0.000000 0
M  V30 21 C -0.236956 -3.502484 0.000000 0
M  V30 22 C 0.477514 -3.089984 0.000000 0
M  V30 23 C 0.477514 -2.264984 0.000000 0
M  V30 24 C -0.236956 -1.852484 0.000000 0
M  V30 25 O -0.236956 -1.027484 0.000000 0
M  V30 26 O 1.191985 -1.852484 0.000000 0
M  V30 27 C 1.906457 -2.264984 0.000000 0
M  V30 28 Cu -0.965442 0.004200 0.000000 0
M  V30 29 Ce 1.133417 -0.039986 0.000000 0
M  V30 30 O 1.674702 1.108863 0.000000 0
M  V30 31 O 1.984007 0.810604 0.000000 0
M  V30 32 O 2.050287 0.291412 0.000000 0
M  V30 33 O 2.094473 -0.305106 0.000000 0
M  V30 34 O 1.895634 -0.658598 0.000000 0
M  V30 35 O 1.520049 -0.912670 0.000000 0
M  V30 36 N 2.389172 1.521363 0.000000 0
M  V30 37 N 2.764758 -0.121088 0.000000 0
M  V30 38 N 2.109159 -1.455486 0.000000 0
M  V30 39 O 2.521659 -2.169956 0.000000 0
M  V30 40 O 2.972536 2.104726 0.000000 0
M  V30 41 O 3.589758 -0.121088 0.000000 0
M  V30 42 O -1.683473 -0.028940 0.000000 0
M  V30 43 C -2.397945 -0.441440 0.000000 0
M  V30 44 H -2.480362 0.184586 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 2 7
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 13 14
M  V30 14 1 10 15
M  V30 15 1 10 16
M  V30 16 1 3 17
M  V30 17 1 4 18
M  V30 18 1 18 19
M  V30 19 2 14 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 24 14
M  V30 25 1 24 25
M  V30 26 1 23 26
M  V30 27 1 26 27
M  V30 28 1 28 8
M  V30 29 1 28 12
M  V30 30 1 28 25
M  V30 31 1 29 17
M  V30 32 1 29 25
M  V30 33 1 29 18
M  V30 34 1 29 26
M  V30 35 1 17 28
M  V30 36 2 8 7
M  V30 37 1 30 29
M  V30 38 1 31 29
M  V30 39 1 32 29
M  V30 40 1 33 29
M  V30 41 1 34 29
M  V30 42 1 35 29
M  V30 43 1 30 36
M  V30 44 1 36 31
M  V30 45 1 32 37
M  V30 46 1 33 37
M  V30 47 1 34 38
M  V30 48 1 35 38
M  V30 49 2 38 39
M  V30 50 2 36 40
M  V30 51 2 37 41
M  V30 52 1 42 28
M  V30 53 1 42 43
M  V30 54 1 42 44
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1577-s002-mod

>  <DOI>
10.3390/M1577

$$$$

File : molbank-2023-M1576-s002.mol

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   -0.6365    0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0532   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5302    0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321   -1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0452   -1.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7598   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5881   -0.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1403    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8853    0.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4373    1.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1824    2.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <MOL_ID>
molbank-2023-M1576-s002

>  <DOI>
10.3390/M1576

$$$$

File : molbank-2023-M1576-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1576-s002-mod

>  <DOI>
10.3390/M1576

$$$$

File : molbank-2023-M1575-s002.mol

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>  <MOL_ID>
molbank-2023-M1575-s002

>  <DOI>
10.3390/M1575

$$$$

File : molbank-2023-M1575-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1575-s002-mod

>  <DOI>
10.3390/M1575

$$$$

File : molbank-2023-M1573-s002.mol

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>  <MOL_ID>
molbank-2023-M1573-s002

>  <DOI>
10.3390/M1573

$$$$

File : molbank-2023-M1573-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1573-s002-mod

>  <DOI>
10.3390/M1573

$$$$

File : molbank-2023-M1572-s002.mol

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>  <MOL_ID>
molbank-2023-M1572-s002

>  <DOI>
10.3390/M1572

$$$$

File : molbank-2023-M1572-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1572-s002-mod

>  <DOI>
10.3390/M1572

$$$$

File : molbank-2023-M1571-s002.mol

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>  <MOL_ID>
molbank-2023-M1571-s002

>  <DOI>
10.3390/M1571

$$$$

File : molbank-2023-M1571-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1571-s002-mod

>  <DOI>
10.3390/M1571

$$$$

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4 125 126 127 128
M  SBL   1  1   4
M  SMT   1 SO3H
M  SBV   1   4    0.0226   -0.8247
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4 129 130 131 132
M  SBL   2  1   8
M  SMT   2 SO3H
M  SBV   2   8   -0.0226   -0.8247
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4 133 134 135 136
M  SBL   3  1  12
M  SMT   3 ^SO3H
M  SBV   3  12    0.1234    0.8157
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4 137 138 139 140
M  SBL   4  1  16
M  SMT   4 SO3H
M  SBV   4  16   -0.1242    0.8156
M  END
>  <MOL_ID>
molbank-2023-M1570-s003

>  <DOI>
10.3390/M1570

$$$$

File : molbank-2023-M1570-s003-mod.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4 125 126 127 128
M  SBL   1  1   4
M  SMT   1 SO3H
M  SBV   1   4    0.0226   -0.8247
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4 129 130 131 132
M  SBL   2  1   8
M  SMT   2 SO3H
M  SBV   2   8   -0.0226   -0.8247
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4 133 134 135 136
M  SBL   3  1  12
M  SMT   3 ^SO3H
M  SBV   3  12    0.1234    0.8157
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4 137 138 139 140
M  SBL   4  1  16
M  SMT   4 SO3H
M  SBV   4  16   -0.1242    0.8156
M  END
>  <MOL_ID>
molbank-2023-M1570-s003-mod

>  <DOI>
10.3390/M1570

$$$$

File : molbank-2023-M1570-s002.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4 121 122 123 124
M  SBL   1  1   4
M  SMT   1 ^SO3H
M  SBV   1   4    0.1706    0.8072
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4 125 126 127 128
M  SBL   2  1   8
M  SMT   2 SO3H
M  SBV   2   8   -0.1441    0.8123
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4 129 130 131 132
M  SBL   3  1  12
M  SMT   3 SO3H
M  SBV   3  12    0.0226   -0.8247
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4 133 134 135 136
M  SBL   4  1  16
M  SMT   4 SO3H
M  SBV   4  16   -0.0226   -0.8247
M  END
>  <MOL_ID>
molbank-2023-M1570-s002

>  <DOI>
10.3390/M1570

$$$$

File : molbank-2023-M1570-s002-mod.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4 121 122 123 124
M  SBL   1  1   4
M  SMT   1 ^SO3H
M  SBV   1   4    0.1706    0.8072
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4 125 126 127 128
M  SBL   2  1   8
M  SMT   2 SO3H
M  SBV   2   8   -0.1441    0.8123
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4 129 130 131 132
M  SBL   3  1  12
M  SMT   3 SO3H
M  SBV   3  12    0.0226   -0.8247
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4 133 134 135 136
M  SBL   4  1  16
M  SMT   4 SO3H
M  SBV   4  16   -0.0226   -0.8247
M  END
>  <MOL_ID>
molbank-2023-M1570-s002-mod

>  <DOI>
10.3390/M1570

$$$$

File : molbank-2023-M1569-s002.mol

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>  <DOI>
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>  <MOL_ID>
molbank-2023-M1569-s002-mod

>  <DOI>
10.3390/M1569

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molbank-2023-M1568-s002

>  <DOI>
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>  <MOL_ID>
molbank-2023-M1568-s002-mod

>  <DOI>
10.3390/M1568

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>  <MOL_ID>
molbank-2023-M1567-s002

>  <DOI>
10.3390/M1567

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>  <MOL_ID>
molbank-2023-M1567-s002-mod

>  <DOI>
10.3390/M1567

$$$$

File : molbank-2023-M1566-s002.mol

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>  <MOL_ID>
molbank-2023-M1566-s002

>  <DOI>
10.3390/M1566

$$$$

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>  <MOL_ID>
molbank-2023-M1566-s002-mod

>  <DOI>
10.3390/M1566

$$$$

File : molbank-2023-M1565-s002.mol

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>  <MOL_ID>
molbank-2023-M1565-s002

>  <DOI>
10.3390/M1565

$$$$

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>  <MOL_ID>
molbank-2023-M1565-s002-mod

>  <DOI>
10.3390/M1565

$$$$

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>  <MOL_ID>
molbank-2023-M1564-s003

>  <DOI>
10.3390/M1564

$$$$

File : molbank-2023-M1564-s003-mod.mol

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M  RAD  2  17   1  23   1
M  END
>  <MOL_ID>
molbank-2023-M1564-s003-mod

>  <DOI>
10.3390/M1564

$$$$

File : molbank-2023-M1564-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 35 0 0 1
M  V30 BEGIN ATOM
M  V30 1 Pt -2.398089 -0.542358 0.000000 0
M  V30 2 O -1.553503 0.041005 0.000000 0
M  V30 3 O -1.553503 -1.125721 0.000000 0
M  V30 4 N -2.981049 0.041005 0.000000 0
M  V30 5 N -2.981620 -1.125721 0.000000 0
M  V30 6 N -2.851990 0.855849 0.000000 0
M  V30 7 C -3.587070 1.230392 0.000000 0
M  V30 8 C -4.170433 0.647028 0.000000 0
M  V30 9 C -3.795891 -0.088054 0.000000 0
M  V30 10 C -3.796399 -0.996264 0.000000 0
M  V30 11 C -4.171301 -1.731161 0.000000 0
M  V30 12 C -3.588224 -2.314810 0.000000 0
M  V30 13 N -2.852959 -1.940628 0.000000 0
M  V30 14 C -0.728503 0.041005 0.000000 0
M  V30 15 C -0.728503 -1.125721 0.000000 0
M  V30 16 C -0.145140 -0.542358 0.000000 0
M  V30 17 C 0.569331 -0.954858 0.000000 0
M  V30 18 C 0.569331 -0.129858 0.000000 0
M  V30 19 C 1.283802 -0.542358 0.000000 0
M  V30 20 O 1.696302 0.172114 0.000000 0
M  V30 21 C 2.521302 0.172114 0.000000 0
M  V30 22 C 2.933802 0.886585 0.000000 0
M  V30 23 O -0.412789 0.803206 0.000000 0
M  V30 24 O -0.412791 -1.887921 0.000000 0
M  V30 25 C -2.116911 1.230392 0.000000 0
M  V30 26 C -2.118062 -2.315528 0.000000 0
M  V30 27 C 3.758801 0.886586 0.000000 0
M  V30 28 C 4.171301 1.601057 0.000000 0
M  V30 29 C 3.758801 2.315528 0.000000 0
M  V30 30 C 2.933802 2.315528 0.000000 0
M  V30 31 C 2.521302 1.601057 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 9 2 9 4
M  V30 10 2 5 10
M  V30 11 1 10 11
M  V30 12 2 11 12
M  V30 13 1 12 13
M  V30 14 1 13 5
M  V30 15 1 2 14
M  V30 16 1 3 15
M  V30 17 1 14 16
M  V30 18 1 15 16
M  V30 19 1 16 17 CFG=1
M  V30 20 1 16 18
M  V30 21 1 18 19
M  V30 22 1 19 17 CFG=1
M  V30 23 1 19 20
M  V30 24 1 20 21
M  V30 25 1 21 22
M  V30 26 2 14 23
M  V30 27 2 15 24
M  V30 28 1 6 25
M  V30 29 1 13 26
M  V30 30 2 22 27
M  V30 31 1 27 28
M  V30 32 2 28 29
M  V30 33 1 29 30
M  V30 34 2 30 31
M  V30 35 1 31 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1564-s002

>  <DOI>
10.3390/M1564

$$$$

File : molbank-2023-M1564-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 35 0 0 1
M  V30 BEGIN ATOM
M  V30 1 Pt -1.675079 -0.465374 2.257081 0
M  V30 2 O  -1.762972 1.482066 2.805314 0
M  V30 3 O  -3.356886 -0.744971 1.164303 0
M  V30 4 N  0.023572 -0.823578 1.093305 0
M  V30 5 N  -1.681105 -1.702375 3.941686 0
M  V30 6 N  0.002075 -0.004068 0.002017 0
M  V30 7 C  -0.003432 -0.824599 -1.115467 0
M  V30 8 C  0.023755 -2.117657 -0.608795 0
M  V30 9 C  0.035722 -2.010783 0.747371 0
M  V30 10 C  -1.657276 -2.884480 3.579283 0
M  V30 11 C  -2.752382 -3.550451 4.035327 0
M  V30 12 C  -3.509989 -2.635997 4.755908 0
M  V30 13 N  -2.798993 -1.448078 4.682380 0
M  V30 14 C  -2.371942 2.208894 1.809323 0
M  V30 15 C  -3.654323 0.422448 0.487286 0
M  V30 16 C  -3.687875 1.709469 1.270676 0
M  V30 17 C  -4.484119 2.813207 0.551417 0
M  V30 18 C  -4.798517 1.717907 2.336656 0
M  V30 19 C  -5.737558 2.251363 1.242280 0
M  V30 20 O  -6.638361 3.260569 1.702823 0
M  V30 21 C  -8.008996 2.856423 1.711001 0
M  V30 22 C  -8.864465 3.991645 2.211494 0
M  V30 23 O  -1.866913 3.218638 1.378921 0
M  V30 24 O  -3.881842 0.410671 -0.699297 0
M  V30 25 C  -0.017791 1.460775 0.010074 0
M  V30 26 C  -3.175554 -0.166194 5.283380 0
M  V30 27 C  -9.381560 4.912665 1.319736 0
M  V30 28 C  -10.166603 5.953749 1.778782 0
M  V30 29 C  -10.434555 6.073821 3.129590 0
M  V30 30 C  -9.917459 5.152802 4.021348 0
M  V30 31 C  -9.136738 4.108718 3.561701 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 15 1 2 14
M  V30 16 1 3 15
M  V30 5 1 4 6
M  V30 9 2 9 4
M  V30 10 2 5 10
M  V30 14 1 13 5
M  V30 6 1 6 7
M  V30 28 1 6 25
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 11 1 10 11
M  V30 12 2 11 12
M  V30 13 1 12 13
M  V30 29 1 13 26
M  V30 17 1 14 16
M  V30 26 2 14 23
M  V30 18 1 15 16
M  V30 27 2 15 24
M  V30 19 1 16 17
M  V30 20 1 16 18
M  V30 22 1 19 17
M  V30 21 1 18 19
M  V30 23 1 19 20
M  V30 24 1 20 21
M  V30 25 1 21 22
M  V30 30 2 22 27
M  V30 35 1 31 22
M  V30 31 1 27 28
M  V30 32 2 28 29
M  V30 33 1 29 30
M  V30 34 2 30 31
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1564-s002-mod

>  <DOI>
10.3390/M1564

$$$$

File : molbank-2023-M1563-s002.mol

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   -2.0137   -3.5741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  6  1  0
  1 10  1  0
  1 29  1  0
  1 30  1  0
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 18 19  1  0
 18 25  1  0
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 21 22  1  0
 21 24  1  0
 22 23  1  0
M  END
>  <MOL_ID>
molbank-2023-M1563-s002

>  <DOI>
10.3390/M1563

$$$$

File : molbank-2023-M1563-s002-mod.mol

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <MOL_ID>
molbank-2023-M1563-s002-mod

>  <DOI>
10.3390/M1563

$$$$

File : molbank-2023-M1562-s003.mol

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M  CHG  8 147   1 152   1 156   1 162   1 165   1 172   1 177   1 182   1
M  END
>  <MOL_ID>
molbank-2023-M1562-s003

>  <DOI>
10.3390/M1562

$$$$

File : molbank-2023-M1562-s003-mod.mol

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M  CHG  8 147   1 152   1 156   1 162   1 165   1 172   1 177   1 182   1
M  END
>  <MOL_ID>
molbank-2023-M1562-s003-mod

>  <DOI>
10.3390/M1562

$$$$

File : molbank-2023-M1562-s002.mol

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M  CHG  8 147   1 152   1 156   1 162   1 165   1 172   1 177   1 182   1
M  CHG  8 188  -1 191  -1 196  -1 200  -1 203  -1 207  -1 211  -1 216  -1
M  END
>  <MOL_ID>
molbank-2023-M1562-s002

>  <DOI>
10.3390/M1562

$$$$

File : molbank-2023-M1562-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2023-M1562-s002-mod

>  <DOI>
10.3390/M1562

$$$$

File : molbank-2023-M1561-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1561-s002

>  <DOI>
10.3390/M1561

$$$$

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>  <MOL_ID>
molbank-2023-M1561-s002-mod

>  <DOI>
10.3390/M1561

$$$$

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>  <MOL_ID>
molbank-2023-M1560-s002

>  <DOI>
10.3390/M1560

$$$$

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>  <MOL_ID>
molbank-2023-M1560-s002-mod

>  <DOI>
10.3390/M1560

$$$$

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molbank-2023-M1559-s003

>  <DOI>
10.3390/M1559

$$$$

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>  <MOL_ID>
molbank-2023-M1559-s003-mod

>  <DOI>
10.3390/M1559

$$$$

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>  <MOL_ID>
molbank-2023-M1559-s002

>  <DOI>
10.3390/M1559

$$$$

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>  <MOL_ID>
molbank-2023-M1559-s002-mod

>  <DOI>
10.3390/M1559

$$$$

File : molbank-2023-M1558-s002.mol

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>  <MOL_ID>
molbank-2023-M1558-s002

>  <DOI>
10.3390/M1558

$$$$

File : molbank-2023-M1558-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1558-s002-mod

>  <DOI>
10.3390/M1558

$$$$

File : molbank-2023-M1557-s002.mol

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>  <MOL_ID>
molbank-2023-M1557-s002

>  <DOI>
10.3390/M1557

$$$$

File : molbank-2023-M1557-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1557-s002-mod

>  <DOI>
10.3390/M1557

$$$$

File : molbank-2023-M1556-s004.mol

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>  <DOI>
10.3390/M1556

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molbank-2023-M1556-s004-mod

>  <DOI>
10.3390/M1556

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>  <MOL_ID>
molbank-2023-M1556-s003

>  <DOI>
10.3390/M1556

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>  <MOL_ID>
molbank-2023-M1556-s003-mod

>  <DOI>
10.3390/M1556

$$$$

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>  <MOL_ID>
molbank-2023-M1556-s002

>  <DOI>
10.3390/M1556

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>  <MOL_ID>
molbank-2023-M1556-s002-mod

>  <DOI>
10.3390/M1556

$$$$

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>  <MOL_ID>
molbank-2023-M1554-s002

>  <DOI>
10.3390/M1554

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>  <MOL_ID>
molbank-2023-M1554-s002-mod

>  <DOI>
10.3390/M1554

$$$$

File : molbank-2023-M1553-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 15 16 2 0 0
M  V30 BEGIN ATOM
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M  V30 2 C 0.052003 -1.477947 0.000000 0
M  V30 3 S 0.717869 -1.965028 0.000000 0
M  V30 4 N 1.386874 -1.482268 0.000000 0
M  V30 5 C 1.134477 -0.696826 0.000000 0
M  V30 6 Cl 1.621557 -0.030960 0.000000 0
M  V30 7 C -0.173279 -0.025149 0.000000 0
M  V30 8 C 0.164718 0.727435 0.000000 0
M  V30 9 C -0.318042 1.396441 0.000000 0
M  V30 10 C -1.138798 1.312862 0.000000 0
M  V30 11 C -1.476794 0.560276 0.000000 0
M  V30 12 C -0.994034 -0.108729 0.000000 0
M  V30 13 C -0.733440 -1.730345 0.000000 0
M  V30 14 N -1.516156 -1.981867 0.000000 0
M  V30 15 C -1.621557 1.981867 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 3 13 14
M  V30 2 1 2 13
M  V30 3 1 10 15
M  V30 4 2 1 2
M  V30 5 1 2 3
M  V30 6 1 3 4
M  V30 7 2 4 5
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M  V30 12 1 8 9
M  V30 13 2 9 10
M  V30 14 1 10 11
M  V30 15 2 11 12
M  V30 16 1 12 7
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 13 14) XBONDS=(1 2) LABEL=CN CSTATE=(4 2 0.785443 -
M  V30 0.252398 0)
M  V30 2 SUP 2 ATOMS=(1 15) XBONDS=(1 3) LABEL=Me CSTATE=(4 3 0.482760 -
M  V30 -0.669005 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1553-s002

>  <DOI>
10.3390/M1553

$$$$

File : molbank-2023-M1553-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 15 16 2 0 0
M  V30 BEGIN ATOM
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M  V30 2 C 0.052003 -1.477947 0.000000 0
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M  V30 14 N -1.516156 -1.981867 0.000000 0
M  V30 15 C -1.621557 1.981867 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 3 13 14
M  V30 2 1 2 13
M  V30 3 1 10 15
M  V30 4 2 1 2
M  V30 5 1 2 3
M  V30 6 1 3 4
M  V30 7 2 4 5
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M  V30 12 1 8 9
M  V30 13 2 9 10
M  V30 14 1 10 11
M  V30 15 2 11 12
M  V30 16 1 12 7
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 13 14) XBONDS=(1 2) LABEL=CN CSTATE=(4 2 0.785443 -
M  V30 0.252398 0)
M  V30 2 SUP 2 ATOMS=(1 15) XBONDS=(1 3) LABEL=Me CSTATE=(4 3 0.482760 -
M  V30 -0.669005 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1553-s002-mod

>  <DOI>
10.3390/M1553

$$$$

File : molbank-2023-M1552-s002.mol

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>  <MOL_ID>
molbank-2023-M1552-s002

>  <DOI>
10.3390/M1552

$$$$

File : molbank-2023-M1552-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1552-s002-mod

>  <DOI>
10.3390/M1552

$$$$

File : molbank-2023-M1550-s002.mol

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>  <MOL_ID>
molbank-2023-M1550-s002

>  <DOI>
10.3390/M1550

$$$$

File : molbank-2023-M1550-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1550-s002-mod

>  <DOI>
10.3390/M1550

$$$$

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>  <MOL_ID>
molbank-2023-M1549-s003

>  <DOI>
10.3390/M1549

$$$$

File : molbank-2023-M1549-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1549-s003-mod

>  <DOI>
10.3390/M1549

$$$$

File : molbank-2023-M1549-s002.mol

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>  <MOL_ID>
molbank-2023-M1549-s002

>  <DOI>
10.3390/M1549

$$$$

File : molbank-2023-M1549-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1549-s002-mod

>  <DOI>
10.3390/M1549

$$$$

File : molbank-2023-M1548-s002.mol

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>  <MOL_ID>
molbank-2023-M1548-s002

>  <DOI>
10.3390/M1548

$$$$

File : molbank-2023-M1548-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1548-s002-mod

>  <DOI>
10.3390/M1548

$$$$

File : molbank-2023-M1547-s002.mol

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>  <MOL_ID>
molbank-2023-M1547-s002

>  <DOI>
10.3390/M1547

$$$$

File : molbank-2023-M1547-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1547-s002-mod

>  <DOI>
10.3390/M1547

$$$$

File : molbank-2023-M1546-s002.mol

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>  <MOL_ID>
molbank-2023-M1546-s002

>  <DOI>
10.3390/M1546

$$$$

File : molbank-2023-M1546-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1546-s002-mod

>  <DOI>
10.3390/M1546

$$$$

File : molbank-2023-M1545-s002.mol

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>  <MOL_ID>
molbank-2023-M1545-s002

>  <DOI>
10.3390/M1545

$$$$

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>  <MOL_ID>
molbank-2023-M1545-s002-mod

>  <DOI>
10.3390/M1545

$$$$

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>  <MOL_ID>
molbank-2023-M1544-s002

>  <DOI>
10.3390/M1544

$$$$

File : molbank-2023-M1544-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1544-s002-mod

>  <DOI>
10.3390/M1544

$$$$

File : molbank-2023-M1543-s002.mol

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>  <MOL_ID>
molbank-2023-M1543-s002

>  <DOI>
10.3390/M1543

$$$$

File : molbank-2023-M1543-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1543-s002-mod

>  <DOI>
10.3390/M1543

$$$$

File : molbank-2023-M1542-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 22 0 0 0
M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 4 5 3 2 6) ATTACH=ANY
M  V30 2 4 2 3
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M  V30 21 1 19 22
M  V30 22 1 16 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1542-s002

>  <DOI>
10.3390/M1542

$$$$

File : molbank-2023-M1542-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 4 5 3 2 6) ATTACH=ANY
M  V30 2 4 2 3
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M  V30 19 1 17 20
M  V30 20 1 18 21
M  V30 21 1 19 22
M  V30 22 1 16 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1542-s002-mod

>  <DOI>
10.3390/M1542

$$$$

File : molbank-2023-M1541-s002.mol

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M  END
>  <MOL_ID>
molbank-2023-M1541-s002

>  <DOI>
10.3390/M1541

$$$$

File : molbank-2023-M1541-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1541-s002-mod

>  <DOI>
10.3390/M1541

$$$$

File : molbank-2023-M1540-s002.mol

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>  <MOL_ID>
molbank-2023-M1540-s002

>  <DOI>
10.3390/M1540

$$$$

File : molbank-2023-M1540-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1540-s002-mod

>  <DOI>
10.3390/M1540

$$$$

File : molbank-2023-M1539-s002.mol

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>  <MOL_ID>
molbank-2023-M1539-s002

>  <DOI>
10.3390/M1539

$$$$

File : molbank-2023-M1539-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1539-s002-mod

>  <DOI>
10.3390/M1539

$$$$

File : molbank-2023-M1538-s002.mol

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M  V30 19 N 0.244543 -1.853577 0.000000 0
M  V30 20 C 1.069543 -1.853577 0.000000 0
M  V30 21 C 1.323959 -1.069126 0.000000 0
M  V30 22 C 1.621690 -2.466133 0.000000 0
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M  V30 24 C 2.682668 -1.509787 0.000000 0
M  V30 25 C 2.130522 -0.897231 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 1 5
M  V30 5 1 5 6
M  V30 6 1 4 6
M  V30 7 1 6 7
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M  V30 13 1 11 12
M  V30 14 1 12 13
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M  V30 16 1 14 15
M  V30 17 1 15 11
M  V30 18 1 3 16
M  V30 19 1 3 17
M  V30 20 1 17 18
M  V30 21 2 18 19
M  V30 22 1 19 20
M  V30 23 2 20 21
M  V30 24 1 21 17
M  V30 25 1 20 22
M  V30 26 2 22 23
M  V30 27 1 23 24
M  V30 28 2 24 25
M  V30 29 1 25 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1538-s002

>  <DOI>
10.3390/M1538

$$$$

File : molbank-2023-M1538-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 29 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C  4.950806 4.359237 0.962793 0
M  V30 2 C  5.536781 2.890420 1.111288 0
M  V30 3 C  4.839779 2.092805 -0.032960 0
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M  V30 5 C  5.592212 4.898425 -0.336207 0
M  V30 6 C  6.482529 3.726844 -0.851996 0
M  V30 7 C  6.967561 3.088206 0.497177 0
M  V30 8 C  7.686107 1.755724 0.275632 0
M  V30 9 C  7.815740 4.060167 1.319847 0
M  V30 10 C  5.463160 2.263101 2.504827 0
M  V30 11 N  4.057443 2.142850 2.914046 0
M  V30 12 C  3.931202 1.331738 4.138834 0
M  V30 13 C  3.202662 2.197971 5.187778 0
M  V30 14 C  2.454012 3.242849 4.319098 0
M  V30 15 C  3.463613 3.472961 3.166990 0
M  V30 16 H  5.046134 1.026929 0.064124 0
M  V30 17 N  3.395126 2.335670 -0.018209 0
M  V30 18 C  2.754396 3.419335 -0.533695 0
M  V30 19 N  1.471375 3.310980 -0.346673 0
M  V30 20 C  1.201164 2.149210 0.302172 0
M  V30 21 C  2.431597 1.507240 0.521422 0
M  V30 22 C  0.021686 1.544030 0.744173 0
M  V30 23 C  0.073711 0.338122 1.383782 0
M  V30 24 C  1.288788 -0.296153 1.600978 0
M  V30 25 C  2.464913 0.281923 1.173287 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 4 1 1 5
M  V30 2 1 2 3
M  V30 8 1 2 7
M  V30 11 1 2 10
M  V30 3 1 3 4
M  V30 18 1 3 16
M  V30 19 1 3 17
M  V30 6 1 4 6
M  V30 5 1 5 6
M  V30 7 1 6 7
M  V30 9 1 7 8
M  V30 10 1 7 9
M  V30 12 1 10 11
M  V30 13 1 11 12
M  V30 17 1 15 11
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 14 15
M  V30 20 1 17 18
M  V30 24 1 21 17
M  V30 21 2 18 19
M  V30 22 1 19 20
M  V30 23 2 20 21
M  V30 25 1 20 22
M  V30 29 1 25 21
M  V30 26 2 22 23
M  V30 27 1 23 24
M  V30 28 2 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1538-s002-mod

>  <DOI>
10.3390/M1538

$$$$

File : molbank-2023-M1537-s002.mol

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>  <MOL_ID>
molbank-2023-M1537-s002

>  <DOI>
10.3390/M1537

$$$$

File : molbank-2023-M1537-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1537-s002-mod

>  <DOI>
10.3390/M1537

$$$$

File : molbank-2023-M1536-s002.mol

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>  <MOL_ID>
molbank-2023-M1536-s002

>  <DOI>
10.3390/M1536

$$$$

File : molbank-2023-M1536-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1536-s002-mod

>  <DOI>
10.3390/M1536

$$$$

File : molbank-2023-M1535-s003.mol

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>  <MOL_ID>
molbank-2023-M1535-s003

>  <DOI>
10.3390/M1535

$$$$

File : molbank-2023-M1535-s003-mod.mol

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>  <MOL_ID>
molbank-2023-M1535-s003-mod

>  <DOI>
10.3390/M1535

$$$$

File : molbank-2023-M1535-s002.mol

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>  <MOL_ID>
molbank-2023-M1535-s002

>  <DOI>
10.3390/M1535

$$$$

File : molbank-2023-M1535-s002-mod.mol

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  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  9 16  1  0  0  0  0
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 21 22  2  0  0  0  0
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 29 30  1  0  0  0  0
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 15 30  2  0  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
 22 33  1  0  0  0  0
 24 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 36  1  0  0  0  0
 28 37  1  0  0  0  0
 18 38  1  0  0  0  0
 23 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 39 40  1  0  0  0  0
 39 43  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 38 44  1  0  0  0  0
 38 47  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 37 48  1  0  0  0  0
 37 51  1  0  0  0  0
 48 52  2  0  0  0  0
 50 53  2  0  0  0  0
 49 54  1  0  0  0  0
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 47 56  2  0  0  0  0
 45 57  2  0  0  0  0
 41 58  1  0  0  0  0
 40 59  2  0  0  0  0
 42 60  2  0  0  0  0
M  END
>  <MOL_ID>
molbank-2023-M1535-s002-mod

>  <DOI>
10.3390/M1535

$$$$

File : molbank-2023-M1534-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 63 66 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -9.834899 -0.410100 0.000000 0 HCOUNT=1
M  V30 2 C -9.834899 -1.190099 0.000000 0 HCOUNT=1
M  V30 3 C -9.159399 -1.580100 0.000000 0 HCOUNT=1
M  V30 4 C -8.483900 -1.190099 0.000000 0 HCOUNT=1
M  V30 5 C -8.483900 -0.410100 0.000000 0
M  V30 6 C -9.159399 -0.020099 0.000000 0 HCOUNT=1
M  V30 7 N -7.808400 -0.020099 0.000000 0 HCOUNT=1
M  V30 8 C -7.132900 -0.410100 0.000000 0 HCOUNT=1
M  V30 9 C -6.457399 -0.020099 0.000000 0
M  V30 10 C -5.781799 -0.410100 0.000000 0 HCOUNT=3
M  V30 11 C -6.457399 0.759899 0.000000 0 HCOUNT=3
M  V30 12 C -5.781799 0.369899 0.000000 0 HCOUNT=3
M  V30 13 C -7.132900 -1.187399 0.000000 0
M  V30 14 C -7.132900 -1.967399 0.000000 0
M  V30 15 C -7.132900 -2.747400 0.000000 0
M  V30 16 C -7.808400 -3.137399 0.000000 0 HCOUNT=1
M  V30 17 C -7.808400 -3.917399 0.000000 0 HCOUNT=1
M  V30 18 C -7.132900 -4.307499 0.000000 0 HCOUNT=1
M  V30 19 C -6.457399 -3.917399 0.000000 0 HCOUNT=1
M  V30 20 C -6.457399 -3.137399 0.000000 0 HCOUNT=1
M  V30 21 C -1.776200 -0.444400 0.000000 0 HCOUNT=1
M  V30 22 C -1.776200 -1.224499 0.000000 0
M  V30 23 C -1.100700 -1.614500 0.000000 0 HCOUNT=1
M  V30 24 C -0.425199 -1.224499 0.000000 0 HCOUNT=1
M  V30 25 C -0.425199 -0.444400 0.000000 0
M  V30 26 C -1.100700 -0.054399 0.000000 0 HCOUNT=1
M  V30 27 N 0.250200 -0.054399 0.000000 0 HCOUNT=1
M  V30 28 C 0.925700 -0.444400 0.000000 0 HCOUNT=1
M  V30 29 C 1.601300 -0.054399 0.000000 0
M  V30 30 C 2.276799 -0.444400 0.000000 0 HCOUNT=3
M  V30 31 C 1.601300 0.725499 0.000000 0 HCOUNT=3
M  V30 32 C 2.276799 0.335500 0.000000 0 HCOUNT=3
M  V30 33 C 0.925700 -1.221699 0.000000 0
M  V30 34 C 0.925700 -2.001800 0.000000 0
M  V30 35 C 0.925700 -2.781800 0.000000 0
M  V30 36 C 0.250200 -3.171799 0.000000 0 HCOUNT=1
M  V30 37 C 0.250200 -3.951800 0.000000 0 HCOUNT=1
M  V30 38 C 0.925700 -4.341800 0.000000 0 HCOUNT=1
M  V30 39 C 1.601300 -3.951800 0.000000 0 HCOUNT=1
M  V30 40 C 1.601300 -3.171799 0.000000 0 HCOUNT=1
M  V30 41 C -2.449399 -1.613100 0.000000 0 HCOUNT=3
M  V30 42 C 6.355599 -0.341300 0.000000 0 HCOUNT=1
M  V30 43 C 6.355599 -1.121299 0.000000 0 HCOUNT=1
M  V30 44 C 7.031100 -1.511299 0.000000 0 HCOUNT=1
M  V30 45 C 7.706599 -1.121299 0.000000 0 HCOUNT=1
M  V30 46 C 7.706599 -0.341300 0.000000 0
M  V30 47 C 7.031100 0.048599 0.000000 0
M  V30 48 O 7.031100 0.825900 0.000000 0
M  V30 49 N 8.382100 0.048599 0.000000 0 HCOUNT=1
M  V30 50 C 9.057700 -0.341300 0.000000 0 HCOUNT=1
M  V30 51 C 9.733200 0.048599 0.000000 0
M  V30 52 C 10.408699 -0.341300 0.000000 0 HCOUNT=3
M  V30 53 C 9.733200 0.828599 0.000000 0 HCOUNT=3
M  V30 54 C 10.408699 0.438600 0.000000 0 HCOUNT=3
M  V30 55 C 9.057700 -1.118600 0.000000 0
M  V30 56 C 9.057700 -1.898599 0.000000 0
M  V30 57 C 9.057700 -2.678699 0.000000 0
M  V30 58 C 8.382100 -3.068700 0.000000 0 HCOUNT=1
M  V30 59 C 8.382100 -3.848700 0.000000 0 HCOUNT=1
M  V30 60 C 9.057700 -4.238699 0.000000 0 HCOUNT=1
M  V30 61 C 9.733200 -3.848700 0.000000 0 HCOUNT=1
M  V30 62 C 9.733200 -3.068700 0.000000 0 HCOUNT=1
M  V30 63 C 7.706599 1.215900 0.000000 0 HCOUNT=3
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 9 11
M  V30 12 1 9 12
M  V30 13 1 8 13
M  V30 14 3 13 14
M  V30 15 1 14 15
M  V30 16 2 15 16
M  V30 17 1 16 17
M  V30 18 2 17 18
M  V30 19 1 18 19
M  V30 20 2 19 20
M  V30 21 1 20 15
M  V30 22 2 21 22
M  V30 23 1 22 23
M  V30 24 2 23 24
M  V30 25 1 24 25
M  V30 26 2 25 26
M  V30 27 1 26 21
M  V30 28 1 25 27
M  V30 29 1 27 28
M  V30 30 1 28 29
M  V30 31 1 29 30
M  V30 32 1 29 31
M  V30 33 1 29 32
M  V30 34 1 28 33
M  V30 35 3 33 34
M  V30 36 1 34 35
M  V30 37 2 35 36
M  V30 38 1 36 37
M  V30 39 2 37 38
M  V30 40 1 38 39
M  V30 41 2 39 40
M  V30 42 1 40 35
M  V30 43 1 22 41
M  V30 44 2 42 43
M  V30 45 1 43 44
M  V30 46 2 44 45
M  V30 47 1 45 46
M  V30 48 2 46 47
M  V30 49 1 47 42
M  V30 50 1 47 48
M  V30 51 1 46 49
M  V30 52 1 49 50
M  V30 53 1 50 51
M  V30 54 1 51 52
M  V30 55 1 51 53
M  V30 56 1 51 54
M  V30 57 1 50 55
M  V30 58 3 55 56
M  V30 59 1 56 57
M  V30 60 2 57 58
M  V30 61 1 58 59
M  V30 62 2 59 60
M  V30 63 1 60 61
M  V30 64 2 61 62
M  V30 65 1 62 57
M  V30 66 1 48 63
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1534-s002

>  <DOI>
10.3390/M1534

$$$$

File : molbank-2023-M1534-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 63 66 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  1.082532 1.948255 -3.343425 0 HCOUNT=1
M  V30 2 C  -0.084711 1.206794 -3.352065 0 HCOUNT=1
M  V30 3 C  -0.416342 0.420800 -2.263681 0 HCOUNT=1
M  V30 4 C  0.412067 0.382882 -1.159347 0 HCOUNT=1
M  V30 5 C  1.585350 1.126455 -1.147349 0
M  V30 6 C  1.918331 1.910451 -2.244668 0 HCOUNT=1
M  V30 7 N  2.428143 1.086258 -0.034256 0 HCOUNT=1
M  V30 8 C  3.715773 1.784326 -0.064829 0 HCOUNT=1
M  V30 9 C  4.178413 2.063955 1.366489 0
M  V30 10 C  4.401800 0.739017 2.098293 0 HCOUNT=3
M  V30 11 C  5.487293 2.855583 1.333930 0 HCOUNT=3
M  V30 12 C  3.108788 2.876895 2.098562 0 HCOUNT=3
M  V30 13 C  4.713231 0.944287 -0.747615 0
M  V30 14 C  5.508757 0.274310 -1.292174 0
M  V30 15 C  6.479110 -0.542902 -1.956406 0
M  V30 16 C  7.789734 -0.089410 -2.110220 0 HCOUNT=1
M  V30 17 C  8.720009 -0.881848 -2.750755 0 HCOUNT=1
M  V30 18 C  8.355737 -2.123566 -3.240006 0 HCOUNT=1
M  V30 19 C  7.058076 -2.579196 -3.090348 0 HCOUNT=1
M  V30 20 C  6.119487 -1.798518 -2.447478 0 HCOUNT=1
M  V30 21 C  15.796393 12.403233 8.308330 0 HCOUNT=1
M  V30 22 C  14.629346 11.661472 8.299507 0
M  V30 23 C  14.296995 10.876568 9.388447 0 HCOUNT=1
M  V30 24 C  15.125445 10.838554 10.492756 0 HCOUNT=1
M  V30 25 C  16.298758 11.582075 10.504753 0
M  V30 26 C  16.631985 12.365723 9.407263 0 HCOUNT=1
M  V30 27 N  17.141792 11.541461 11.617648 0 HCOUNT=1
M  V30 28 C  18.429414 12.239543 11.587058 0 HCOUNT=1
M  V30 29 C  18.892291 12.518769 13.018378 0
M  V30 30 C  19.115794 11.193624 13.749773 0 HCOUNT=3
M  V30 31 C  20.201167 13.310402 12.985826 0 HCOUNT=3
M  V30 32 C  17.822789 13.331505 13.750857 0 HCOUNT=3
M  V30 33 C  19.426761 11.399702 10.903868 0
M  V30 34 C  20.222200 10.729883 10.358986 0
M  V30 35 C  21.192445 9.912864 9.694361 0
M  V30 36 C  22.503042 10.366406 9.540457 0 HCOUNT=1
M  V30 37 C  23.433214 9.574153 8.899542 0 HCOUNT=1
M  V30 38 C  23.068865 8.332573 8.409999 0 HCOUNT=1
M  V30 39 C  21.771231 7.876895 8.559745 0 HCOUNT=1
M  V30 40 C  20.832746 8.657386 9.202992 0 HCOUNT=1
M  V30 41 C  13.720009 11.704908 7.098562 0 HCOUNT=3
M  V30 42 C  30.349889 19.477535 25.900076 0 HCOUNT=1
M  V30 43 C  31.329766 18.505352 25.816872 0 HCOUNT=1
M  V30 44 C  32.038430 18.331505 24.642549 0 HCOUNT=1
M  V30 45 C  31.770999 19.128735 23.545538 0 HCOUNT=1
M  V30 46 C  30.789405 20.106059 23.621649 0
M  V30 47 C  30.079759 20.284379 24.807185 0
M  V30 48 O  29.120113 21.244717 24.889400 0
M  V30 49 N  30.516683 20.914596 22.512184 0 HCOUNT=1
M  V30 50 C  31.182531 20.652951 21.233742 0 HCOUNT=1
M  V30 51 C  30.316505 21.183862 20.089613 0
M  V30 52 C  30.967064 20.829736 18.750857 0 HCOUNT=3
M  V30 53 C  28.926565 20.548817 20.165017 0 HCOUNT=3
M  V30 54 C  30.189860 22.703943 20.208835 0 HCOUNT=3
M  V30 55 C  32.489920 21.329064 21.214027 0
M  V30 56 C  33.532634 21.868301 21.198302 0
M  V30 57 C  34.804496 22.526041 21.179122 0
M  V30 58 C  34.878466 23.912496 21.318117 0 HCOUNT=1
M  V30 59 C  36.107043 24.540106 21.299246 0 HCOUNT=1
M  V30 60 C  37.263990 23.797836 21.142943 0 HCOUNT=1
M  V30 61 C  37.197494 22.422928 21.004637 0 HCOUNT=1
M  V30 62 C  35.975166 21.783184 21.021819 0 HCOUNT=1
M  V30 63 C  28.433214 21.370402 26.136161 0 HCOUNT=3
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 13 1 8 13
M  V30 10 1 9 10
M  V30 11 1 9 11
M  V30 12 1 9 12
M  V30 14 3 13 14
M  V30 15 1 14 15
M  V30 16 2 15 16
M  V30 21 1 20 15
M  V30 17 1 16 17
M  V30 18 2 17 18
M  V30 19 1 18 19
M  V30 20 2 19 20
M  V30 22 2 21 22
M  V30 27 1 26 21
M  V30 23 1 22 23
M  V30 43 1 22 41
M  V30 24 2 23 24
M  V30 25 1 24 25
M  V30 26 2 25 26
M  V30 28 1 25 27
M  V30 29 1 27 28
M  V30 30 1 28 29
M  V30 34 1 28 33
M  V30 31 1 29 30
M  V30 32 1 29 31
M  V30 33 1 29 32
M  V30 35 3 33 34
M  V30 36 1 34 35
M  V30 37 2 35 36
M  V30 42 1 40 35
M  V30 38 1 36 37
M  V30 39 2 37 38
M  V30 40 1 38 39
M  V30 41 2 39 40
M  V30 44 2 42 43
M  V30 49 1 47 42
M  V30 45 1 43 44
M  V30 46 2 44 45
M  V30 47 1 45 46
M  V30 48 2 46 47
M  V30 51 1 46 49
M  V30 50 1 47 48
M  V30 66 1 48 63
M  V30 52 1 49 50
M  V30 53 1 50 51
M  V30 57 1 50 55
M  V30 54 1 51 52
M  V30 55 1 51 53
M  V30 56 1 51 54
M  V30 58 3 55 56
M  V30 59 1 56 57
M  V30 60 2 57 58
M  V30 65 1 62 57
M  V30 61 1 58 59
M  V30 62 2 59 60
M  V30 63 1 60 61
M  V30 64 2 61 62
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2023-M1534-s002-mod

>  <DOI>
10.3390/M1534

$$$$

File : molbank-2023-M1533-s002.mol

 19 20  0  0  0  0  0  0  0  0999 V2000
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   12.7588    8.7768   11.4409 O      0
    8.2632   13.3740   14.3489 O      0
    8.7263    9.7267   16.7282 O      0
    7.0994   11.0297   17.3624 O      0
   11.1912    9.9526   15.3327 N      0
   12.1261    9.1394   14.8235 N      0
   12.9214    8.6040   12.6417 N      0
   10.4678   11.2547   10.8675 N      0
    9.3861   12.6961   13.9068 N      0
    7.6696   12.7250   15.4016 N      0
    8.0458   10.7377   16.6502 N      0
   12.0692    9.3643   13.5275 C      0
   11.1048   10.3183   13.1714 C      0
   10.5464   10.6747   14.3946 C      0
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molbank-2023-M1533-s002

>  <DOI>
10.3390/M1533

$$$$

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>  <MOL_ID>
molbank-2023-M1533-s002-mod

>  <DOI>
10.3390/M1533

$$$$

File : molbank-2023-M1532-s002.mol

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>  <MOL_ID>
molbank-2023-M1532-s002

>  <DOI>
10.3390/M1532

$$$$

File : molbank-2023-M1532-s002-mod.mol

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>  <MOL_ID>
molbank-2023-M1532-s002-mod

>  <DOI>
10.3390/M1532

$$$$

File : molbank-2023-M1531-s002.mol

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>  <MOL_ID>
molbank-2023-M1531-s002

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2023-M1531-s002-mod

>  <DOI>
10.3390/M1531

$$$$

File : molbank-2022-M1530-s002.mol

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>  <MOL_ID>
molbank-2022-M1530-s002

>  <DOI>
10.3390/M1530

$$$$

File : molbank-2022-M1530-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1530-s002-mod

>  <DOI>
10.3390/M1530

$$$$

File : molbank-2022-M1529-s002.mol

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>  <MOL_ID>
molbank-2022-M1529-s002

>  <DOI>
10.3390/M1529

$$$$

File : molbank-2022-M1529-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1529-s002-mod

>  <DOI>
10.3390/M1529

$$$$

File : molbank-2022-M1528-s002.mol

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>  <MOL_ID>
molbank-2022-M1528-s002

>  <DOI>
10.3390/M1528

$$$$

File : molbank-2022-M1528-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1528-s002-mod

>  <DOI>
10.3390/M1528

$$$$

File : molbank-2022-M1527-s002.mol

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>  <MOL_ID>
molbank-2022-M1527-s002

>  <DOI>
10.3390/M1527

$$$$

File : molbank-2022-M1527-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1527-s002-mod

>  <DOI>
10.3390/M1527

$$$$

File : molbank-2022-M1526-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 32 3 0 0
M  V30 BEGIN ATOM
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M  V30 9 C 0.950850 -0.194794 0.000000 0
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M  V30 11 C 0.967666 1.746845 0.000000 0
M  V30 12 C -0.000000 2.157456 0.000000 0
M  V30 13 C 2.401999 0.626426 0.000000 0
M  V30 14 C 3.049446 1.454653 0.000000 0
M  V30 15 C 2.655653 2.428626 0.000000 0
M  V30 16 C 1.614413 2.575074 0.000000 0
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 1 20 22
M  V30 3 1 2 20
M  V30 4 2 23 24
M  V30 5 1 23 25
M  V30 6 1 14 23
M  V30 7 1 28 29
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M  V30 30 1 8 17
M  V30 31 2 17 18
M  V30 32 1 12 19
M  V30 END BOND
M  V30 BEGIN SGROUP
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M  V30 2 SUP 2 ATOMS=(3 23 24 25) XBONDS=(1 6) LABEL=NO2 CSTATE=(4 6 -
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M  V30 3 SUP 3 ATOMS=(4 26 27 28 29) XBONDS=(1 10) LABEL=CO2CH3 CSTATE=(4 10 -
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M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1526-s002

>  <DOI>
10.3390/M1526

$$$$

File : molbank-2022-M1526-s002-mod.mol

  0  0  0     0  0              0 V3000
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M  V30 COUNTS 29 32 3 0 0
M  V30 BEGIN ATOM
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M  V30 10 C 1.361460 0.772171 0.000000 0
M  V30 11 C 0.967666 1.746845 0.000000 0
M  V30 12 C -0.000000 2.157456 0.000000 0
M  V30 13 C 2.401999 0.626426 0.000000 0
M  V30 14 C 3.049446 1.454653 0.000000 0
M  V30 15 C 2.655653 2.428626 0.000000 0
M  V30 16 C 1.614413 2.575074 0.000000 0
M  V30 17 C -0.392392 0.834534 0.000000 0
M  V30 18 O 0.658658 0.834534 0.000000 0
M  V30 19 C 0.009109 3.208505 0.000000 0
M  V30 20 N -4.103999 1.379680 0.000000 0 CHG=1
M  V30 21 O -4.736732 2.219118 0.000000 0
M  V30 22 O -4.514610 0.412012 0.000000 0 CHG=-1
M  V30 23 N 4.089985 1.308207 0.000000 0 CHG=1
M  V30 24 O 4.483779 0.333533 0.000000 0
M  V30 25 O 4.736732 2.136434 0.000000 0 CHG=-1
M  V30 26 C -0.032934 -1.639638 0.000000 0
M  V30 27 O 0.872371 -2.173571 0.000000 0
M  V30 28 O -0.948047 -2.157455 0.000000 0
M  V30 29 C -0.957157 -3.208505 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 20 21
M  V30 2 1 20 22
M  V30 3 1 2 20
M  V30 4 2 23 24
M  V30 5 1 23 25
M  V30 6 1 14 23
M  V30 7 1 28 29
M  V30 8 2 26 27
M  V30 9 1 26 28
M  V30 10 1 8 26
M  V30 11 2 1 2
M  V30 12 1 2 3
M  V30 13 2 3 4
M  V30 14 1 4 5
M  V30 15 2 5 6
M  V30 16 1 6 1
M  V30 17 1 4 7
M  V30 18 1 7 8
M  V30 19 1 8 9
M  V30 20 1 9 10
M  V30 21 2 10 11
M  V30 22 1 11 12
M  V30 23 1 12 5
M  V30 24 1 10 13
M  V30 25 2 13 14
M  V30 26 1 14 15
M  V30 27 2 15 16
M  V30 28 1 16 11
M  V30 29 1 12 17
M  V30 30 1 8 17
M  V30 31 2 17 18
M  V30 32 1 12 19
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 20 21 22) XBONDS=(1 3) LABEL=O2N CSTATE=(4 3 1.043342 -
M  V30 0.128226 0)
M  V30 2 SUP 2 ATOMS=(3 23 24 25) XBONDS=(1 6) LABEL=NO2 CSTATE=(4 6 -
M  V30 -1.040539 0.146446 0)
M  V30 3 SUP 3 ATOMS=(4 26 27 28 29) XBONDS=(1 10) LABEL=CO2CH3 CSTATE=(4 10 -
M  V30 0.009110 1.051050 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1526-s002-mod

>  <DOI>
10.3390/M1526

$$$$

File : molbank-2022-M1525-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1525-s002

>  <DOI>
10.3390/M1525

$$$$

File : molbank-2022-M1525-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1525-s002-mod

>  <DOI>
10.3390/M1525

$$$$

File : molbank-2022-M1524-s002.mol

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>  <MOL_ID>
molbank-2022-M1524-s002

>  <DOI>
10.3390/M1524

$$$$

File : molbank-2022-M1524-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1524-s002-mod

>  <DOI>
10.3390/M1524

$$$$

File : molbank-2022-M1523-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1523-s002

>  <DOI>
10.3390/M1523

$$$$

File : molbank-2022-M1523-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1523-s002-mod

>  <DOI>
10.3390/M1523

$$$$

File : molbank-2022-M1522-s002.mol

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NO2
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>  <MOL_ID>
molbank-2022-M1522-s002

>  <DOI>
10.3390/M1522

$$$$

File : molbank-2022-M1522-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1522-s002-mod

>  <DOI>
10.3390/M1522

$$$$

File : molbank-2022-M1521-s002.mol

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>  <MOL_ID>
molbank-2022-M1521-s002

>  <DOI>
10.3390/M1521

$$$$

File : molbank-2022-M1521-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1521-s002-mod

>  <DOI>
10.3390/M1521

$$$$

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>  <MOL_ID>
molbank-2022-M1520-s003

>  <DOI>
10.3390/M1520

$$$$

File : molbank-2022-M1520-s003-mod.mol

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>  <MOL_ID>
molbank-2022-M1520-s003-mod

>  <DOI>
10.3390/M1520

$$$$

File : molbank-2022-M1520-s002.mol

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>  <MOL_ID>
molbank-2022-M1520-s002

>  <DOI>
10.3390/M1520

$$$$

File : molbank-2022-M1520-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1520-s002-mod

>  <DOI>
10.3390/M1520

$$$$

File : molbank-2022-M1519-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1519-s002

>  <DOI>
10.3390/M1519

$$$$

File : molbank-2022-M1519-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1519-s002-mod

>  <DOI>
10.3390/M1519

$$$$

File : molbank-2022-M1518-s002.mol

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M  SMT  12 ^AcO
M  END
>  <MOL_ID>
molbank-2022-M1518-s002

>  <DOI>
10.3390/M1518

$$$$

File : molbank-2022-M1518-s002-mod.mol

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M  SMT  12 ^AcO
M  END
>  <MOL_ID>
molbank-2022-M1518-s002-mod

>  <DOI>
10.3390/M1518

$$$$

File : molbank-2022-M1516-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1516-s002

>  <DOI>
10.3390/M1516

$$$$

File : molbank-2022-M1516-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1516-s002-mod

>  <DOI>
10.3390/M1516

$$$$

File : molbank-2022-M1515-s003.mol

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M  END
>  <MOL_ID>
molbank-2022-M1515-s003

>  <DOI>
10.3390/M1515

$$$$

File : molbank-2022-M1515-s003-mod.mol

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>  <MOL_ID>
molbank-2022-M1515-s003-mod

>  <DOI>
10.3390/M1515

$$$$

File : molbank-2022-M1515-s002.mol

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>  <MOL_ID>
molbank-2022-M1515-s002

>  <DOI>
10.3390/M1515

$$$$

File : molbank-2022-M1515-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1515-s002-mod

>  <DOI>
10.3390/M1515

$$$$

File : molbank-2022-M1514-s002.mol

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>  <MOL_ID>
molbank-2022-M1514-s002

>  <DOI>
10.3390/M1514

$$$$

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>  <MOL_ID>
molbank-2022-M1514-s002-mod

>  <DOI>
10.3390/M1514

$$$$

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>  <MOL_ID>
molbank-2022-M1513-s002

>  <DOI>
10.3390/M1513

$$$$

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>  <MOL_ID>
molbank-2022-M1513-s002-mod

>  <DOI>
10.3390/M1513

$$$$

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>  <MOL_ID>
molbank-2022-M1512-s002

>  <DOI>
10.3390/M1512

$$$$

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>  <MOL_ID>
molbank-2022-M1512-s002-mod

>  <DOI>
10.3390/M1512

$$$$

File : molbank-2022-M1511-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1511-s002

>  <DOI>
10.3390/M1511

$$$$

File : molbank-2022-M1511-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1511-s002-mod

>  <DOI>
10.3390/M1511

$$$$

File : molbank-2022-M1510-s002.mol

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>  <MOL_ID>
molbank-2022-M1510-s002

>  <DOI>
10.3390/M1510

$$$$

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>  <MOL_ID>
molbank-2022-M1510-s002-mod

>  <DOI>
10.3390/M1510

$$$$

File : molbank-2022-M1509-s002.mol

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>  <MOL_ID>
molbank-2022-M1509-s002

>  <DOI>
10.3390/M1509

$$$$

File : molbank-2022-M1509-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1509-s002-mod

>  <DOI>
10.3390/M1509

$$$$

File : molbank-2022-M1508-s005.mol

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>  <MOL_ID>
molbank-2022-M1508-s005

>  <DOI>
10.3390/M1508

$$$$

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>  <MOL_ID>
molbank-2022-M1508-s005-mod

>  <DOI>
10.3390/M1508

$$$$

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>  <MOL_ID>
molbank-2022-M1508-s004

>  <DOI>
10.3390/M1508

$$$$

File : molbank-2022-M1508-s004-mod.mol

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>  <MOL_ID>
molbank-2022-M1508-s004-mod

>  <DOI>
10.3390/M1508

$$$$

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>  <MOL_ID>
molbank-2022-M1508-s003

>  <DOI>
10.3390/M1508

$$$$

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>  <MOL_ID>
molbank-2022-M1508-s003-mod

>  <DOI>
10.3390/M1508

$$$$

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>  <MOL_ID>
molbank-2022-M1508-s002

>  <DOI>
10.3390/M1508

$$$$

File : molbank-2022-M1508-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1508-s002-mod

>  <DOI>
10.3390/M1508

$$$$

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M  END
>  <MOL_ID>
molbank-2022-M1507-s002

>  <DOI>
10.3390/M1507

$$$$

File : molbank-2022-M1507-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1507-s002-mod

>  <DOI>
10.3390/M1507

$$$$

File : molbank-2022-M1506-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 46 56 0 0 1
M  V30 BEGIN ATOM
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M  V30 46 C 5.485175 -2.512781 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 2
M  V30 12 1 5 11
M  V30 13 1 11 12
M  V30 14 2 11 13
M  V30 15 1 4 14
M  V30 16 2 12 15
M  V30 17 1 15 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 12
M  V30 22 1 17 20
M  V30 23 2 20 21
M  V30 24 1 20 22
M  V30 25 1 22 23
M  V30 26 1 7 24
M  V30 27 1 7 25
M  V30 28 1 10 26
M  V30 29 1 10 27
M  V30 30 1 23 33
M  V30 31 2 28 29
M  V30 32 1 29 30
M  V30 33 2 30 31
M  V30 34 1 31 32
M  V30 35 2 32 33
M  V30 36 1 33 28
M  V30 37 1 34 35
M  V30 38 1 34 36
M  V30 39 1 38 41
M  V30 40 1 40 41
M  V30 41 1 39 42
M  V30 42 1 42 40
M  V30 43 1 37 43
M  V30 44 1 43 38
M  V30 45 1 37 44
M  V30 46 1 44 39
M  V30 47 1 37 45 CFG=1
M  V30 48 1 38 46
M  V30 49 1 46 39
M  V30 50 1 40 45 CFG=1
M  V30 51 1 34 37
M  V30 52 1 34 30
M  V30 53 1 28 34
M  V30 54 1 33 34
M  V30 55 1 32 34
M  V30 56 1 31 34
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1506-s002

>  <DOI>
10.3390/M1506

$$$$

File : molbank-2022-M1506-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 46 56 0 0 1
M  V30 BEGIN ATOM
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M  V30 2 C -4.775198 1.505662 0.000000 0
M  V30 3 C -4.060727 1.093162 0.000000 0
M  V30 4 C -3.346257 1.505662 0.000000 0
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M  V30 6 C -4.060727 2.743162 0.000000 0
M  V30 7 C -5.489668 2.743162 0.000000 0
M  V30 8 C -6.204139 2.330662 0.000000 0
M  V30 9 C -6.204139 1.505662 0.000000 0
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M  V30 14 C -2.631785 1.093162 0.000000 0
M  V30 15 C -1.917315 1.505662 0.000000 0
M  V30 16 C -1.202845 1.093162 0.000000 0
M  V30 17 C -0.488374 1.505662 0.000000 0
M  V30 18 C -0.488374 2.330662 0.000000 0
M  V30 19 C -1.202845 2.743162 0.000000 0
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M  V30 25 C -4.775198 3.155662 0.000000 0
M  V30 26 C -6.204139 0.680662 0.000000 0
M  V30 27 C -4.775198 0.680662 0.000000 0
M  V30 28 C 2.386007 -0.688102 0.000000 0
M  V30 29 C 3.626885 -0.688102 0.000000 0
M  V30 30 C 4.247324 -0.144338 0.000000 0
M  V30 31 C 3.626885 0.399427 0.000000 0
M  V30 32 C 2.386007 0.399427 0.000000 0
M  V30 33 C 1.765567 -0.144338 0.000000 0
M  V30 34 Ru 3.060846 -1.678037 0.000000 0
M  V30 35 Cl 2.211581 -2.527301 0.000000 0
M  V30 36 Cl 3.060846 -2.923776 0.000000 0
M  V30 37 P 4.162737 -2.378972 0.000000 0
M  V30 38 N 4.764389 -3.366816 0.000000 0
M  V30 39 N 5.373332 -1.920009 0.000000 0
M  V30 40 N 5.804487 -2.931690 0.000000 0
M  V30 41 C 5.603748 -3.568161 0.000000 0
M  V30 42 C 6.204139 -2.267409 0.000000 0
M  V30 43 C 3.998362 -3.068304 0.000000 0
M  V30 44 C 4.676056 -1.698801 0.000000 0
M  V30 45 C 4.461576 -2.858686 0.000000 0
M  V30 46 C 5.485175 -2.512781 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 2
M  V30 12 1 5 11
M  V30 13 1 11 12
M  V30 14 2 11 13
M  V30 15 1 4 14
M  V30 16 2 12 15
M  V30 17 1 15 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 12
M  V30 22 1 17 20
M  V30 23 2 20 21
M  V30 24 1 20 22
M  V30 25 1 22 23
M  V30 26 1 7 24
M  V30 27 1 7 25
M  V30 28 1 10 26
M  V30 29 1 10 27
M  V30 30 1 23 33
M  V30 31 2 28 29
M  V30 32 1 29 30
M  V30 33 2 30 31
M  V30 34 1 31 32
M  V30 35 2 32 33
M  V30 36 1 33 28
M  V30 37 1 34 35
M  V30 38 1 34 36
M  V30 39 1 38 41
M  V30 40 1 40 41
M  V30 41 1 39 42
M  V30 42 1 42 40
M  V30 43 1 37 43
M  V30 44 1 43 38
M  V30 45 1 37 44
M  V30 46 1 44 39
M  V30 47 1 37 45 CFG=1
M  V30 48 1 38 46
M  V30 49 1 46 39
M  V30 50 1 40 45 CFG=1
M  V30 51 1 34 37
M  V30 52 1 34 30
M  V30 53 1 28 34
M  V30 54 1 33 34
M  V30 55 1 32 34
M  V30 56 1 31 34
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1506-s002-mod

>  <DOI>
10.3390/M1506

$$$$

File : molbank-2022-M1505-s003.mol

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M  END
>  <MOL_ID>
molbank-2022-M1505-s003

>  <DOI>
10.3390/M1505

$$$$

File : molbank-2022-M1505-s003-mod.mol

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>  <MOL_ID>
molbank-2022-M1505-s003-mod

>  <DOI>
10.3390/M1505

$$$$

File : molbank-2022-M1505-s002.mol

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>  <MOL_ID>
molbank-2022-M1505-s002

>  <DOI>
10.3390/M1505

$$$$

File : molbank-2022-M1505-s002-mod.mol

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>  <DOI>
10.3390/M1505

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M1504

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>  <MOL_ID>
molbank-2022-M1504-s002-mod

>  <DOI>
10.3390/M1504

$$$$

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>  <MOL_ID>
molbank-2022-M1503-s002

>  <DOI>
10.3390/M1503

$$$$

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>  <MOL_ID>
molbank-2022-M1503-s002-mod

>  <DOI>
10.3390/M1503

$$$$

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>  <MOL_ID>
molbank-2022-M1502-s002

>  <DOI>
10.3390/M1502

$$$$

File : molbank-2022-M1502-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1502-s002-mod

>  <DOI>
10.3390/M1502

$$$$

File : molbank-2022-M1501-s002.mol

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>  <MOL_ID>
molbank-2022-M1501-s002

>  <DOI>
10.3390/M1501

$$$$

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>  <MOL_ID>
molbank-2022-M1501-s002-mod

>  <DOI>
10.3390/M1501

$$$$

File : molbank-2022-M1500-s002.mol

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>  <MOL_ID>
molbank-2022-M1500-s002

>  <DOI>
10.3390/M1500

$$$$

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>  <MOL_ID>
molbank-2022-M1500-s002-mod

>  <DOI>
10.3390/M1500

$$$$

File : molbank-2022-M1499-s002.mol

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>  <MOL_ID>
molbank-2022-M1499-s002

>  <DOI>
10.3390/M1499

$$$$

File : molbank-2022-M1499-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1499-s002-mod

>  <DOI>
10.3390/M1499

$$$$

File : molbank-2022-M1498-s002.mol

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M  SED   5 1
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M  SDT   6 Text
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M  SED   6 2
M  STY  1   7 DAT
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M  SED   7 3
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M  SED   8 4
M  END
>  <MOL_ID>
molbank-2022-M1498-s002

>  <DOI>
10.3390/M1498

$$$$

File : molbank-2022-M1498-s002-mod.mol

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M  SDT   6 Text
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M  STY  1   8 DAT
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M  END
>  <MOL_ID>
molbank-2022-M1498-s002-mod

>  <DOI>
10.3390/M1498

$$$$

File : molbank-2022-M1497-s002.mol

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>  <MOL_ID>
molbank-2022-M1497-s002

>  <DOI>
10.3390/M1497

$$$$

File : molbank-2022-M1497-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1497-s002-mod

>  <DOI>
10.3390/M1497

$$$$

File : molbank-2022-M1496-s002.mol

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>  <MOL_ID>
molbank-2022-M1496-s002

>  <DOI>
10.3390/M1496

$$$$

File : molbank-2022-M1496-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1496-s002-mod

>  <DOI>
10.3390/M1496

$$$$

File : molbank-2022-M1495-s002.mol

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>  <MOL_ID>
molbank-2022-M1495-s002

>  <DOI>
10.3390/M1495

$$$$

File : molbank-2022-M1495-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1495-s002-mod

>  <DOI>
10.3390/M1495

$$$$

File : molbank-2022-M1494-s002.mol

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>  <MOL_ID>
molbank-2022-M1494-s002

>  <DOI>
10.3390/M1494

$$$$

File : molbank-2022-M1494-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1494-s002-mod

>  <DOI>
10.3390/M1494

$$$$

File : molbank-2022-M1493-s002.mol

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M  SMT   1 CO2H
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M  END
>  <MOL_ID>
molbank-2022-M1493-s002

>  <DOI>
10.3390/M1493

$$$$

File : molbank-2022-M1493-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1493-s002-mod

>  <DOI>
10.3390/M1493

$$$$

File : molbank-2022-M1492-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.070582 0.497436 0.000000 0
M  V30 2 C -2.070582 -0.327564 0.000000 0
M  V30 3 C -1.356111 -0.740064 0.000000 0
M  V30 4 C -0.641640 -0.327564 0.000000 0
M  V30 5 C -0.641640 0.497436 0.000000 0
M  V30 6 C -1.356111 0.909936 0.000000 0
M  V30 7 C 0.070351 -0.738632 0.000000 0
M  V30 8 C 0.156587 -1.559113 0.000000 0
M  V30 9 C 0.963558 -1.730640 0.000000 0
M  V30 10 C 1.376058 -1.016169 0.000000 0
M  V30 11 O 0.824025 -0.403074 0.000000 0
M  V30 12 C 2.193691 -0.930232 0.000000 0
M  V30 13 O 2.528083 -0.179174 0.000000 0
M  V30 14 F -1.356111 -1.562200 0.000000 0
M  V30 15 N -2.782572 0.908504 0.000000 0 CHG=1
M  V30 16 O -2.782572 1.730640 0.000000 0
M  V30 17 O -3.494562 0.497436 0.000000 0 CHG=-1
M  V30 18 O 2.676930 -1.595354 0.000000 0
M  V30 19 C 3.494562 -1.509418 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 10 11
M  V30 12 1 11 7
M  V30 13 1 10 12
M  V30 14 2 12 13
M  V30 15 1 3 14
M  V30 16 1 1 15
M  V30 17 2 15 16
M  V30 18 1 15 17
M  V30 19 1 12 18
M  V30 20 1 18 19
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 15 16 17) XBONDS=(1 16) LABEL=^NO2 CSTATE=(4 16 -
M  V30 0.711990 -0.411068 0) SAP=(4 15 1 Ar)
M  V30 2 SUP 2 ATOMS=(2 18 19) XBONDS=(1 19) LABEL=OCH3 CSTATE=(4 19 -
M  V30 -0.483240 0.665122 0) SAP=(4 18 12 Al)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1492-s003

>  <DOI>
10.3390/M1492

$$$$

File : molbank-2022-M1492-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 2 0 0
M  V30 BEGIN ATOM
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M  V30 2 C -2.070582 -0.327564 0.000000 0
M  V30 3 C -1.356111 -0.740064 0.000000 0
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M  V30 13 O 2.528083 -0.179174 0.000000 0
M  V30 14 F -1.356111 -1.562200 0.000000 0
M  V30 15 N -2.782572 0.908504 0.000000 0 CHG=1
M  V30 16 O -2.782572 1.730640 0.000000 0
M  V30 17 O -3.494562 0.497436 0.000000 0 CHG=-1
M  V30 18 O 2.676930 -1.595354 0.000000 0
M  V30 19 C 3.494562 -1.509418 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
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M  V30 12 1 11 7
M  V30 13 1 10 12
M  V30 14 2 12 13
M  V30 15 1 3 14
M  V30 16 1 1 15
M  V30 17 2 15 16
M  V30 18 1 15 17
M  V30 19 1 12 18
M  V30 20 1 18 19
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 15 16 17) XBONDS=(1 16) LABEL=^NO2 CSTATE=(4 16 -
M  V30 0.711990 -0.411068 0) SAP=(4 15 1 Ar)
M  V30 2 SUP 2 ATOMS=(2 18 19) XBONDS=(1 19) LABEL=OCH3 CSTATE=(4 19 -
M  V30 -0.483240 0.665122 0) SAP=(4 18 12 Al)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1492-s003-mod

>  <DOI>
10.3390/M1492

$$$$

File : molbank-2022-M1492-s002.mol

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>  <MOL_ID>
molbank-2022-M1492-s002

>  <DOI>
10.3390/M1492

$$$$

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>  <MOL_ID>
molbank-2022-M1492-s002-mod

>  <DOI>
10.3390/M1492

$$$$

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>  <MOL_ID>
molbank-2022-M1491-s002

>  <DOI>
10.3390/M1491

$$$$

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>  <MOL_ID>
molbank-2022-M1491-s002-mod

>  <DOI>
10.3390/M1491

$$$$

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>  <MOL_ID>
molbank-2022-M1490-s003

>  <DOI>
10.3390/M1490

$$$$

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>  <MOL_ID>
molbank-2022-M1490-s003-mod

>  <DOI>
10.3390/M1490

$$$$

File : molbank-2022-M1490-s002.mol

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>  <MOL_ID>
molbank-2022-M1490-s002

>  <DOI>
10.3390/M1490

$$$$

File : molbank-2022-M1490-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1490-s002-mod

>  <DOI>
10.3390/M1490

$$$$

File : molbank-2022-M1489-s002.mol

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>  <MOL_ID>
molbank-2022-M1489-s002

>  <DOI>
10.3390/M1489

$$$$

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>  <MOL_ID>
molbank-2022-M1489-s002-mod

>  <DOI>
10.3390/M1489

$$$$

File : molbank-2022-M1488-s002.mol

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>  <MOL_ID>
molbank-2022-M1488-s002

>  <DOI>
10.3390/M1488

$$$$

File : molbank-2022-M1488-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1488-s002-mod

>  <DOI>
10.3390/M1488

$$$$

File : molbank-2022-M1487-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1487-s002

>  <DOI>
10.3390/M1487

$$$$

File : molbank-2022-M1487-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1487-s002-mod

>  <DOI>
10.3390/M1487

$$$$

File : molbank-2022-M1486-s002.mol

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>  <MOL_ID>
molbank-2022-M1486-s002

>  <DOI>
10.3390/M1486

$$$$

File : molbank-2022-M1486-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1486-s002-mod

>  <DOI>
10.3390/M1486

$$$$

File : molbank-2022-M1484-s003.mol

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M  END
>  <MOL_ID>
molbank-2022-M1484-s003

>  <DOI>
10.3390/M1484

$$$$

File : molbank-2022-M1484-s003-mod.mol

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 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <MOL_ID>
molbank-2022-M1484-s003-mod

>  <DOI>
10.3390/M1484

$$$$

File : molbank-2022-M1484-s002.mol

 12 11  0  0  0  0  0  0  0  0  1 V2000
   13.1514   -9.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3032   -9.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9996   -9.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5805   -7.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <MOL_ID>
molbank-2022-M1484-s002

>  <DOI>
10.3390/M1484

$$$$

File : molbank-2022-M1484-s002-mod.mol

 12 11  0  0  0  0  0  0  0  0  1 V2000
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M  END
>  <MOL_ID>
molbank-2022-M1484-s002-mod

>  <DOI>
10.3390/M1484

$$$$

File : molbank-2022-M1485-s004.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 7 6 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Se -1.267487 0.309944 0.000000 0
M  V30 2 Se -0.053738 -0.015917 0.000000 0
M  V30 3 Se 0.835340 0.872289 0.000000 0
M  V30 4 C -2.007108 -0.428952 0.000000 0
M  V30 5 N -2.450881 -0.872289 0.000000 0
M  V30 6 C 1.845053 0.601206 0.000000 0
M  V30 7 N 2.450881 0.438557 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 4 1
M  V30 3 1 2 3
M  V30 4 1 3 6
M  V30 5 3 4 5
M  V30 6 3 6 7
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1485-s004

>  <DOI>
10.3390/M1485

$$$$

File : molbank-2022-M1485-s004-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 7 6 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Se -0.024504 1.955722 0.012796 0
M  V30 2 Se 2.285711 2.437519 -0.006675 0
M  V30 3 Se 2.253707 4.797266 0.006303 0
M  V30 4 C  0.002075 -0.004068 0.002017 0
M  V30 5 N  0.017480 -1.139946 -0.004230 0
M  V30 6 C  4.172360 5.197402 -0.009867 0
M  V30 7 N  5.284396 5.429317 -0.019240 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 4 1
M  V30 3 1 2 3
M  V30 4 1 3 6
M  V30 5 3 4 5
M  V30 6 3 6 7
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1485-s004-mod

>  <DOI>
10.3390/M1485

$$$$

File : molbank-2022-M1485-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 5 4 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Se -0.000023 0.418208 0.000000 0
M  V30 2 C -0.905412 -0.104552 0.000000 0
M  V30 3 N -1.448645 -0.418208 0.000000 0
M  V30 4 C 0.905394 -0.104502 0.000000 0
M  V30 5 N 1.448645 -0.418127 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 1 4
M  V30 3 3 2 3
M  V30 4 3 4 5
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1485-s003

>  <DOI>
10.3390/M1485

$$$$

File : molbank-2022-M1485-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 5 4 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Se -0.024504 1.955722 0.012796 0
M  V30 2 C  0.002075 -0.004068 0.002017 0
M  V30 3 N  0.017480 -1.139946 -0.004230 0
M  V30 4 C  1.894149 2.355858 -0.003375 0
M  V30 5 N  3.006185 2.587774 -0.012747 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 1 4
M  V30 3 3 2 3
M  V30 4 3 4 5
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1485-s003-mod

>  <DOI>
10.3390/M1485

$$$$

File : molbank-2022-M1485-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 6 5 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Se -0.544189 0.314167 0.000000 0
M  V30 2 Se 0.544189 -0.314167 0.000000 0
M  V30 3 C -1.449578 -0.208593 0.000000 0
M  V30 4 N -1.992810 -0.522249 0.000000 0
M  V30 5 C 1.449577 0.208592 0.000000 0
M  V30 6 N 1.992810 0.522249 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 3 1
M  V30 3 1 2 5
M  V30 4 3 3 4
M  V30 5 3 5 6
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1485-s002

>  <DOI>
10.3390/M1485

$$$$

File : molbank-2022-M1485-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 6 5 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Se -0.024504 1.955722 0.012796 0
M  V30 2 Se 2.285711 2.437519 -0.006675 0
M  V30 3 C  0.002075 -0.004068 0.002017 0
M  V30 4 N  0.017480 -1.139946 -0.004230 0
M  V30 5 C  2.259132 4.397309 0.004104 0
M  V30 6 N  2.243727 5.533187 0.010351 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 3 1
M  V30 3 1 2 5
M  V30 4 3 3 4
M  V30 5 3 5 6
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1485-s002-mod

>  <DOI>
10.3390/M1485

$$$$

File : molbank-2022-M1483-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.044863 -1.343591 0.000000 0
M  V30 2 C -2.044863 -2.168591 0.000000 0
M  V30 3 C -1.330436 -2.581091 0.000000 0
M  V30 4 C -0.616009 -2.168591 0.000000 0
M  V30 5 C -0.616009 -1.343591 0.000000 0
M  V30 6 C -1.330436 -0.931090 0.000000 0
M  V30 7 C 0.168315 -2.423539 0.000000 0
M  V30 8 C 0.653003 -1.756091 0.000000 0
M  V30 9 C 0.168315 -1.088642 0.000000 0
M  V30 10 O 0.382014 -3.219894 0.000000 0
M  V30 11 C 1.437900 -1.501143 0.000000 0
M  V30 12 N 1.437900 -0.676142 0.000000 0
M  V30 13 N 0.653003 -0.421194 0.000000 0
M  V30 14 C 0.109878 0.376880 0.000000 0
M  V30 15 C 2.105347 -1.985830 0.000000 0
M  V30 16 C 0.468464 1.119875 0.000000 0
M  V30 17 C 0.004303 1.801917 0.000000 0
M  V30 18 C -0.818442 1.740963 0.000000 0
M  V30 19 C -1.177027 0.997968 0.000000 0
M  V30 20 C -0.712867 0.315926 0.000000 0
M  V30 21 C -1.282602 2.423005 0.000000 0
M  V30 22 F -2.105347 2.362051 0.000000 0
M  V30 23 F -1.496127 3.219894 0.000000 0
M  V30 24 F -0.699239 3.006368 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 5
M  V30 11 2 7 10
M  V30 12 1 8 11
M  V30 13 2 11 12
M  V30 14 1 12 13
M  V30 15 1 13 9
M  V30 16 1 11 15
M  V30 17 1 13 14
M  V30 18 2 14 16
M  V30 19 1 16 17
M  V30 20 2 17 18
M  V30 21 1 18 19
M  V30 22 2 19 20
M  V30 23 1 20 14
M  V30 24 1 18 21
M  V30 25 1 21 22
M  V30 26 1 21 23
M  V30 27 1 21 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1483-s002

>  <DOI>
10.3390/M1483

$$$$

File : molbank-2022-M1483-s002-mod.mol

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M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 0
M  V30 BEGIN ATOM
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M  V30 23 F  8.235803 1.970888 -0.181733 0
M  V30 24 F  8.226217 0.093422 1.119894 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 6 1 6 1
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 7 1 4 7
M  V30 5 2 5 6
M  V30 10 1 9 5
M  V30 8 1 7 8
M  V30 11 2 7 10
M  V30 9 2 8 9
M  V30 12 1 8 11
M  V30 15 1 13 9
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M  V30 16 1 11 15
M  V30 14 1 12 13
M  V30 17 1 13 14
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M  V30 23 1 20 14
M  V30 19 1 16 17
M  V30 20 2 17 18
M  V30 21 1 18 19
M  V30 24 1 18 21
M  V30 22 2 19 20
M  V30 25 1 21 22
M  V30 26 1 21 23
M  V30 27 1 21 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1483-s002-mod

>  <DOI>
10.3390/M1483

$$$$

File : molbank-2022-M1482-s002.mol

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>  <MOL_ID>
molbank-2022-M1482-s002

>  <DOI>
10.3390/M1482

$$$$

File : molbank-2022-M1482-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1482-s002-mod

>  <DOI>
10.3390/M1482

$$$$

File : molbank-2022-M1481-s002.mol

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>  <MOL_ID>
molbank-2022-M1481-s002

>  <DOI>
10.3390/M1481

$$$$

File : molbank-2022-M1481-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1481-s002-mod

>  <DOI>
10.3390/M1481

$$$$

File : molbank-2022-M1480-s002.mol

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>  <MOL_ID>
molbank-2022-M1480-s002

>  <DOI>
10.3390/M1480

$$$$

File : molbank-2022-M1480-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1480-s002-mod

>  <DOI>
10.3390/M1480

$$$$

File : molbank-2022-M1479-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1479-s002

>  <DOI>
10.3390/M1479

$$$$

File : molbank-2022-M1479-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1479-s002-mod

>  <DOI>
10.3390/M1479

$$$$

File : molbank-2022-M1478-s002.mol

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>  <MOL_ID>
molbank-2022-M1478-s002

>  <DOI>
10.3390/M1478

$$$$

File : molbank-2022-M1478-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1478-s002-mod

>  <DOI>
10.3390/M1478

$$$$

File : molbank-2022-M1476-s002.mol

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>  <MOL_ID>
molbank-2022-M1476-s002

>  <DOI>
10.3390/M1476

$$$$

File : molbank-2022-M1476-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1476-s002-mod

>  <DOI>
10.3390/M1476

$$$$

File : molbank-2022-M1475-s002.mol

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>  <MOL_ID>
molbank-2022-M1475-s002

>  <DOI>
10.3390/M1475

$$$$

File : molbank-2022-M1475-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1475-s002-mod

>  <DOI>
10.3390/M1475

$$$$

File : molbank-2022-M1474-s002.mol

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molbank-2022-M1474-s002

>  <DOI>
10.3390/M1474

$$$$

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molbank-2022-M1474-s002-mod

>  <DOI>
10.3390/M1474

$$$$

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>  <MOL_ID>
molbank-2022-M1473-s002

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2022-M1473-s002-mod

>  <DOI>
10.3390/M1473

$$$$

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>  <MOL_ID>
molbank-2022-M1472-s002

>  <DOI>
10.3390/M1472

$$$$

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>  <MOL_ID>
molbank-2022-M1472-s002-mod

>  <DOI>
10.3390/M1472

$$$$

File : molbank-2022-M1471-s002.mol

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>  <MOL_ID>
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>  <DOI>
10.3390/M1471

$$$$

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>  <MOL_ID>
molbank-2022-M1471-s002-mod

>  <DOI>
10.3390/M1471

$$$$

File : molbank-2022-M1470-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1470-s002

>  <DOI>
10.3390/M1470

$$$$

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>  <MOL_ID>
molbank-2022-M1470-s002-mod

>  <DOI>
10.3390/M1470

$$$$

File : molbank-2022-M1468-s002.mol

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>  <MOL_ID>
molbank-2022-M1468-s002

>  <DOI>
10.3390/M1468

$$$$

File : molbank-2022-M1468-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1468-s002-mod

>  <DOI>
10.3390/M1468

$$$$

File : molbank-2022-M1469-s002.mol

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>  <MOL_ID>
molbank-2022-M1469-s002

>  <DOI>
10.3390/M1469

$$$$

File : molbank-2022-M1469-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1469-s002-mod

>  <DOI>
10.3390/M1469

$$$$

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>  <MOL_ID>
molbank-2022-M1467-s002

>  <DOI>
10.3390/M1467

$$$$

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>  <MOL_ID>
molbank-2022-M1467-s002-mod

>  <DOI>
10.3390/M1467

$$$$

File : molbank-2022-M1466-s002.mol

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>  <MOL_ID>
molbank-2022-M1466-s002

>  <DOI>
10.3390/M1466

$$$$

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>  <MOL_ID>
molbank-2022-M1466-s002-mod

>  <DOI>
10.3390/M1466

$$$$

File : molbank-2022-M1465-s002.mol

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>  <MOL_ID>
molbank-2022-M1465-s002

>  <DOI>
10.3390/M1465

$$$$

File : molbank-2022-M1465-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1465-s002-mod

>  <DOI>
10.3390/M1465

$$$$

File : molbank-2022-M1464-s002.mol

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>  <MOL_ID>
molbank-2022-M1464-s002

>  <DOI>
10.3390/M1464

$$$$

File : molbank-2022-M1464-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1464-s002-mod

>  <DOI>
10.3390/M1464

$$$$

File : molbank-2022-M1463-s002.mol

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>  <MOL_ID>
molbank-2022-M1463-s002

>  <DOI>
10.3390/M1463

$$$$

File : molbank-2022-M1463-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1463-s002-mod

>  <DOI>
10.3390/M1463

$$$$

File : molbank-2022-M1462-s002.mol

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>  <MOL_ID>
molbank-2022-M1462-s002

>  <DOI>
10.3390/M1462

$$$$

File : molbank-2022-M1462-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1462-s002-mod

>  <DOI>
10.3390/M1462

$$$$

File : molbank-2022-M1461-s002.mol

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>  <MOL_ID>
molbank-2022-M1461-s002

>  <DOI>
10.3390/M1461

$$$$

File : molbank-2022-M1461-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1461-s002-mod

>  <DOI>
10.3390/M1461

$$$$

File : molbank-2022-M1460-s002.mol

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>  <MOL_ID>
molbank-2022-M1460-s002

>  <DOI>
10.3390/M1460

$$$$

File : molbank-2022-M1460-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1460-s002-mod

>  <DOI>
10.3390/M1460

$$$$

File : molbank-2022-M1459-s008.mol

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>  <MOL_ID>
molbank-2022-M1459-s008

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s008-mod.mol

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>  <MOL_ID>
molbank-2022-M1459-s008-mod

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s007.mol

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>  <MOL_ID>
molbank-2022-M1459-s007

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s007-mod.mol

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>  <MOL_ID>
molbank-2022-M1459-s007-mod

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s006.mol

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>  <MOL_ID>
molbank-2022-M1459-s006

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s006-mod.mol

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 31 30  2  0  0  0  0
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M  END
>  <MOL_ID>
molbank-2022-M1459-s006-mod

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s005.mol

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M  END
>  <MOL_ID>
molbank-2022-M1459-s005

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s005-mod.mol

 32 35  0  0  1  0  0  0  0  0  1 V2000
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M  END
>  <MOL_ID>
molbank-2022-M1459-s005-mod

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s004.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 12.1922 -16.1288 0 0
M  V30 2 C 13.344 -15.4639 0 0
M  V30 3 C 14.4958 -12.1389 0 0
M  V30 4 C 14.4958 -13.4689 0 0
M  V30 5 C 13.344 -11.4739 0 0
M  V30 6 C 13.344 -14.1339 0 0
M  V30 7 C 12.1922 -12.1389 0 0
M  V30 8 C 12.1922 -13.4689 0 0
M  V30 9 C 15.7607 -11.7279 0 0
M  V30 10 C 16.5424 -12.8039 0 0
M  V30 11 O 15.7607 -13.8799 0 0
M  V30 12 C 16.3017 -10.513 0 0
M  V30 13 C 17.6243 -10.3739 0 0
M  V30 14 C 17.8651 -12.6649 0 0
M  V30 15 C 18.4061 -11.4499 0 0
M  V30 16 O 15.5199 -9.437 0 0
M  V30 17 C 18.1653 -9.1589 0 0
M  V30 18 N 19.488 -9.0199 0 0
M  V30 19 C 17.3835 -8.083 0 0
M  V30 20 O 19.7288 -11.3109 0 0
M  V30 21 O 13.344 -10.144 0 0
M  V30 22 O 11.0405 -14.1339 0 0
M  V30 23 C 14.4958 -16.1288 0 0
M  V30 24 C 11.0405 -11.4739 0 0
M  V30 25 C 14.8027 -10.8055 0 0
M  V30 26 C 20.0289 -7.8049 0 0
M  V30 27 C 19.2472 -6.729 0 0
M  V30 28 C 21.3516 -7.6659 0 0
M  V30 29 C 19.7881 -5.514 0 0
M  V30 30 C 21.8926 -6.4509 0 0
M  V30 31 C 21.1108 -5.375 0 0
M  V30 32 Cl 21.6518 -4.16 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 5 3
M  V30 3 2 6 4
M  V30 4 1 7 5
M  V30 5 1 8 6
M  V30 6 2 8 7
M  V30 7 1 9 3
M  V30 8 1 4 3
M  V30 9 1 11 4
M  V30 10 1 11 10
M  V30 11 1 12 9
M  V30 12 1 10 9
M  V30 13 1 13 12
M  V30 14 2 14 10
M  V30 15 1 15 13
M  V30 16 1 15 14
M  V30 17 2 12 16
M  V30 18 2 13 17
M  V30 19 1 17 18
M  V30 20 1 17 19
M  V30 21 2 15 20
M  V30 22 1 5 21
M  V30 23 1 8 22
M  V30 24 1 2 6
M  V30 25 1 2 23
M  V30 26 1 7 24
M  V30 27 1 9 25 CFG=3
M  V30 28 1 18 26
M  V30 29 1 27 26
M  V30 30 2 28 26
M  V30 31 2 29 27
M  V30 32 1 30 28
M  V30 33 1 31 29
M  V30 34 2 31 30
M  V30 35 1 31 32
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1459-s004

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s004-mod.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O  4.702904 11.964191 3.180323 0
M  V30 2 C  5.078483 10.839190 3.438178 0
M  V30 3 C  4.914788 8.308582 0.631723 0
M  V30 4 C  4.510747 9.152676 1.669075 0
M  V30 5 C  6.241231 8.183133 0.249346 0
M  V30 6 C  5.467572 9.933280 2.359112 0
M  V30 7 C  7.185391 8.948970 0.938185 0
M  V30 8 C  6.815246 9.799352 1.958773 0
M  V30 9 C  3.665073 7.678915 0.108518 0
M  V30 10 C  2.631158 8.089099 1.155400 0
M  V30 11 O  3.181651 9.080753 1.861383 0
M  V30 12 C  3.723728 6.170943 0.098411 0
M  V30 13 C  2.465373 5.484416 0.156409 0
M  V30 14 C  1.426145 7.489567 1.244025 0
M  V30 15 C  1.256842 6.341790 0.317161 0
M  V30 16 O  4.777910 5.571345 0.040101 0
M  V30 17 C  2.379095 4.105167 0.073650 0
M  V30 18 N  1.171347 3.506723 0.025099 0
M  V30 19 C  3.634623 3.272453 0.037809 0
M  V30 20 O  0.211037 6.118441 -0.267030 0
M  V30 21 O  6.608667 7.348990 -0.755613 0
M  V30 22 O  7.768959 10.524880 2.593713 0
M  V30 23 C  5.143648 10.376388 4.870873 0
M  V30 24 C  8.639642 8.843733 0.557230 0
M  V30 25 C  3.305062 8.238686 -1.269142 0
M  V30 26 C  0.838120 2.692070 -1.060896 0
M  V30 27 C  1.682639 2.619728 -2.161498 0
M  V30 28 C  -0.338392 1.953678 -1.041730 0
M  V30 29 C  1.351157 1.813781 -3.232719 0
M  V30 30 C  -0.664826 1.149395 -2.115748 0
M  V30 31 C  0.178635 1.078904 -3.210712 0
M  V30 32 Cl -0.235191 0.067207 -4.559382 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 24 1 2 6
M  V30 25 1 2 23
M  V30 2 2 5 3
M  V30 7 1 9 3
M  V30 8 1 4 3
M  V30 3 2 6 4
M  V30 9 1 11 4
M  V30 4 1 7 5
M  V30 22 1 5 21
M  V30 5 1 8 6
M  V30 6 2 8 7
M  V30 26 1 7 24
M  V30 23 1 8 22
M  V30 11 1 12 9
M  V30 12 1 10 9
M  V30 27 1 9 25
M  V30 10 1 11 10
M  V30 14 2 14 10
M  V30 13 1 13 12
M  V30 17 2 12 16
M  V30 15 1 15 13
M  V30 18 2 13 17
M  V30 16 1 15 14
M  V30 21 2 15 20
M  V30 19 1 17 18
M  V30 20 1 17 19
M  V30 28 1 18 26
M  V30 29 1 27 26
M  V30 30 2 28 26
M  V30 31 2 29 27
M  V30 32 1 30 28
M  V30 33 1 31 29
M  V30 34 2 31 30
M  V30 35 1 31 32
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1459-s004-mod

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s003.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 34 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 8.6899 -18.2716 0 0
M  V30 2 C 9.8417 -17.6067 0 0
M  V30 3 C 10.9935 -14.2817 0 0
M  V30 4 C 10.9935 -15.6117 0 0
M  V30 5 C 9.8417 -13.6167 0 0
M  V30 6 C 9.8417 -16.2767 0 0
M  V30 7 C 8.6899 -14.2817 0 0
M  V30 8 C 8.6899 -15.6117 0 0
M  V30 9 C 12.2584 -13.8707 0 0
M  V30 10 C 13.0401 -14.9467 0 0
M  V30 11 O 12.2584 -16.0227 0 0
M  V30 12 C 12.7993 -12.6558 0 0
M  V30 13 C 14.122 -12.5167 0 0
M  V30 14 C 14.3628 -14.8077 0 0
M  V30 15 C 14.9037 -13.5927 0 0
M  V30 16 O 12.0176 -11.5798 0 0
M  V30 17 C 14.6629 -11.3017 0 0
M  V30 18 N 15.9856 -11.1627 0 0
M  V30 19 C 13.8812 -10.2258 0 0
M  V30 20 O 16.2264 -13.4537 0 0
M  V30 21 O 9.8417 -12.2868 0 0
M  V30 22 O 7.5381 -16.2767 0 0
M  V30 23 C 10.9935 -18.2716 0 0
M  V30 24 C 7.5381 -13.6167 0 0
M  V30 25 C 11.3003 -12.9483 0 0
M  V30 26 C 16.5266 -9.9477 0 0
M  V30 27 C 15.7448 -8.8718 0 0
M  V30 28 C 17.8493 -9.8087 0 0
M  V30 29 C 16.2858 -7.6568 0 0
M  V30 30 C 18.3902 -8.5937 0 0
M  V30 31 C 17.6085 -7.5178 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 5 3
M  V30 3 2 6 4
M  V30 4 1 7 5
M  V30 5 1 8 6
M  V30 6 2 8 7
M  V30 7 1 9 3
M  V30 8 1 4 3
M  V30 9 1 11 4
M  V30 10 1 11 10
M  V30 11 1 12 9
M  V30 12 1 10 9
M  V30 13 1 13 12
M  V30 14 2 14 10
M  V30 15 1 15 13
M  V30 16 1 15 14
M  V30 17 2 12 16
M  V30 18 2 13 17
M  V30 19 1 17 18
M  V30 20 1 17 19
M  V30 21 2 15 20
M  V30 22 1 5 21
M  V30 23 1 8 22
M  V30 24 1 2 6
M  V30 25 1 2 23
M  V30 26 1 7 24
M  V30 27 1 9 25 CFG=3
M  V30 28 1 18 26
M  V30 29 1 27 26
M  V30 30 2 28 26
M  V30 31 2 29 27
M  V30 32 1 30 28
M  V30 33 1 31 29
M  V30 34 2 31 30
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1459-s003

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s003-mod.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 34 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O  -5.244371 -6.496209 -2.194086 0
M  V30 2 C  -4.242549 -6.073920 -2.733714 0
M  V30 3 C  -1.660492 -4.445122 -0.500564 0
M  V30 4 C  -2.822019 -4.627379 -1.255202 0
M  V30 5 C  -0.672616 -5.413367 -0.411101 0
M  V30 6 C  -3.031679 -5.842491 -1.948421 0
M  V30 7 C  -0.878259 -6.609365 -1.103737 0
M  V30 8 C  -2.019611 -6.822307 -1.847865 0
M  V30 9 C  -1.784697 -3.090858 0.117944 0
M  V30 10 C  -2.995174 -2.510207 -0.610602 0
M  V30 11 O  -3.610366 -3.539204 -1.200119 0
M  V30 12 C  -0.606435 -2.195917 -0.179060 0
M  V30 13 C  -0.851400 -0.783178 -0.129396 0
M  V30 14 C  -3.282490 -1.192611 -0.583042 0
M  V30 15 C  -2.262406 -0.370010 0.115431 0
M  V30 16 O  0.489847 -2.646599 -0.442209 0
M  V30 17 C  0.162856 0.142532 -0.304501 0
M  V30 18 N  -0.085300 1.456529 -0.127304 0
M  V30 19 C  1.544243 -0.317705 -0.693089 0
M  V30 20 O  -2.556143 0.569703 0.833425 0
M  V30 21 O  0.450786 -5.207831 0.321338 0
M  V30 22 O  -2.173985 -8.001770 -2.499128 0
M  V30 23 C  -4.247103 -5.788209 -4.213375 0
M  V30 24 C  0.169710 -7.690189 -1.035704 0
M  V30 25 C  -2.046529 -3.197415 1.621602 0
M  V30 26 C  0.603687 2.171328 0.856229 0
M  V30 27 C  0.475217 3.552539 0.931610 0
M  V30 28 C  1.414104 1.501690 1.764380 0
M  V30 29 C  1.157116 4.255743 1.905075 0
M  V30 30 C  2.097290 2.211659 2.732035 0
M  V30 31 C  1.967138 3.586540 2.804228 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 24 1 2 6
M  V30 25 1 2 23
M  V30 2 2 5 3
M  V30 7 1 9 3
M  V30 8 1 4 3
M  V30 3 2 6 4
M  V30 9 1 11 4
M  V30 4 1 7 5
M  V30 22 1 5 21
M  V30 5 1 8 6
M  V30 6 2 8 7
M  V30 26 1 7 24
M  V30 23 1 8 22
M  V30 11 1 12 9
M  V30 12 1 10 9
M  V30 27 1 9 25
M  V30 10 1 11 10
M  V30 14 2 14 10
M  V30 13 1 13 12
M  V30 17 2 12 16
M  V30 15 1 15 13
M  V30 18 2 13 17
M  V30 16 1 15 14
M  V30 21 2 15 20
M  V30 19 1 17 18
M  V30 20 1 17 19
M  V30 28 1 18 26
M  V30 29 1 27 26
M  V30 30 2 28 26
M  V30 31 2 29 27
M  V30 32 1 30 28
M  V30 33 1 31 29
M  V30 34 2 31 30
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1459-s003-mod

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s002.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 7.6582 -12.9232 0 0
M  V30 2 C 8.81 -12.2582 0 0
M  V30 3 C 9.9618 -8.9333 0 0
M  V30 4 C 9.9618 -10.2633 0 0
M  V30 5 C 8.81 -8.2683 0 0
M  V30 6 C 8.81 -10.9283 0 0
M  V30 7 C 7.6582 -8.9333 0 0
M  V30 8 C 7.6582 -10.2633 0 0
M  V30 9 C 11.2267 -8.5223 0 0
M  V30 10 C 12.0084 -9.5983 0 0
M  V30 11 O 11.2267 -10.6743 0 0
M  V30 12 C 11.7676 -7.3073 0 0
M  V30 13 C 13.0903 -7.1683 0 0
M  V30 14 C 13.3311 -9.4593 0 0
M  V30 15 C 13.872 -8.2443 0 0
M  V30 16 O 10.9859 -6.2314 0 0
M  V30 17 C 13.6313 -5.9533 0 0
M  V30 18 C 14.9539 -5.8143 0 0
M  V30 19 O 12.8495 -4.8774 0 0
M  V30 20 O 15.1947 -8.1053 0 0
M  V30 21 O 8.81 -6.9383 0 0
M  V30 22 O 6.5064 -10.9283 0 0
M  V30 23 C 9.9618 -12.9232 0 0
M  V30 24 C 6.5064 -8.2683 0 0
M  V30 25 C 10.2686 -7.5998 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 5 3
M  V30 3 2 6 4
M  V30 4 1 7 5
M  V30 5 1 8 6
M  V30 6 2 8 7
M  V30 7 1 9 3
M  V30 8 1 4 3
M  V30 9 1 11 4
M  V30 10 1 11 10
M  V30 11 1 12 9
M  V30 12 1 10 9
M  V30 13 1 13 12
M  V30 14 2 14 10
M  V30 15 2 15 13
M  V30 16 1 15 14
M  V30 17 2 12 16
M  V30 18 1 13 17
M  V30 19 1 17 18
M  V30 20 2 17 19
M  V30 21 1 15 20
M  V30 22 1 5 21
M  V30 23 1 8 22
M  V30 24 1 2 6
M  V30 25 1 2 23
M  V30 26 1 7 24
M  V30 27 1 9 25 CFG=3
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1459-s002

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1459-s002-mod.mol

  0  0  0  0  0  0  0  0  0  0999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O  -0.049829 -4.759434 2.831025 0
M  V30 2 C  0.349672 -3.678946 3.213244 0
M  V30 3 C  -0.715193 -0.553007 1.429751 0
M  V30 4 C  -0.005085 -1.711914 1.735161 0
M  V30 5 C  -1.778596 -0.146138 2.210096 0
M  V30 6 C  -0.382714 -2.463310 2.863172 0
M  V30 7 C  -2.157353 -0.888990 3.324153 0
M  V30 8 C  -1.467052 -2.040228 3.653642 0
M  V30 9 C  -0.039918 -0.013658 0.192524 0
M  V30 10 C  1.319793 -0.707031 0.304061 0
M  V30 11 O  0.981505 -1.909583 0.809823 0
M  V30 12 C  -0.027233 1.492525 0.223182 0
M  V30 13 C  1.216381 2.129742 -0.028938 0
M  V30 14 C  2.425096 -0.014903 0.016522 0
M  V30 15 C  2.379055 1.365635 -0.229994 0
M  V30 16 O  -1.034984 2.132112 0.448066 0
M  V30 17 C  1.285533 3.539476 -0.078460 0
M  V30 18 C  0.579379 4.290367 -1.177804 0
M  V30 19 O  1.914137 4.146664 0.764977 0
M  V30 20 O  3.492197 1.982741 -0.676659 0
M  V30 21 O  -2.457624 0.983880 1.889585 0
M  V30 22 O  -1.835709 -2.763255 4.740112 0
M  V30 23 C  1.600762 -3.590655 4.048725 0
M  V30 24 C  -3.319954 -0.438745 4.170727 0
M  V30 25 C  -0.784475 -0.496687 -1.053757 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 24 1 2 6
M  V30 25 1 2 23
M  V30 2 2 5 3
M  V30 7 1 9 3
M  V30 8 1 4 3
M  V30 3 2 6 4
M  V30 9 1 11 4
M  V30 4 1 7 5
M  V30 22 1 5 21
M  V30 5 1 8 6
M  V30 6 2 8 7
M  V30 26 1 7 24
M  V30 23 1 8 22
M  V30 11 1 12 9
M  V30 12 1 10 9
M  V30 27 1 9 25
M  V30 10 1 11 10
M  V30 14 2 14 10
M  V30 13 1 13 12
M  V30 17 2 12 16
M  V30 15 2 15 13
M  V30 18 1 13 17
M  V30 16 1 15 14
M  V30 21 1 15 20
M  V30 19 1 17 18
M  V30 20 2 17 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1459-s002-mod

>  <DOI>
10.3390/M1459

$$$$

File : molbank-2022-M1458-s002.mol

 26 28  0  0  0  0  0  0  0  0999 V2000
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   -0.6268    2.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4032    3.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618    2.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9337    1.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8482    0.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  1  0
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 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 16 26  1  0
M  END
>  <MOL_ID>
molbank-2022-M1458-s002

>  <DOI>
10.3390/M1458

$$$$

File : molbank-2022-M1458-s002-mod.mol

 26 28  0  0  0  0  0  0  0  0999 V2000
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    2.0985    5.8995   -0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6584    5.6942   -5.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847    4.5371   -5.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2831    4.4662   -4.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  2  0
 25 20  1  0
 16 26  1  0
M  END
>  <MOL_ID>
molbank-2022-M1458-s002-mod

>  <DOI>
10.3390/M1458

$$$$

File : molbank-2022-M1457-s003.mol

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <DOI>
10.3390/M1457

$$$$

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molbank-2022-M1457-s003-mod

>  <DOI>
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>  <MOL_ID>
molbank-2022-M1457-s002

>  <DOI>
10.3390/M1457

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molbank-2022-M1457-s002-mod

>  <DOI>
10.3390/M1457

$$$$

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molbank-2022-M1456-s002

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2022-M1456-s002-mod

>  <DOI>
10.3390/M1456

$$$$

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>  <MOL_ID>
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>  <DOI>
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>  <MOL_ID>
molbank-2022-M1455-s002-mod

>  <DOI>
10.3390/M1455

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>  <MOL_ID>
molbank-2022-M1453-s002

>  <DOI>
10.3390/M1453

$$$$

File : molbank-2022-M1453-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1453-s002-mod

>  <DOI>
10.3390/M1453

$$$$

File : molbank-2022-M1452-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1452-s002

>  <DOI>
10.3390/M1452

$$$$

File : molbank-2022-M1452-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1452-s002-mod

>  <DOI>
10.3390/M1452

$$$$

File : molbank-2022-M1451-s002.mol

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>  <DOI>
10.3390/M1451

$$$$

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>  <MOL_ID>
molbank-2022-M1451-s002-mod

>  <DOI>
10.3390/M1451

$$$$

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>  <MOL_ID>
molbank-2022-M1450-s002

>  <DOI>
10.3390/M1450

$$$$

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>  <MOL_ID>
molbank-2022-M1450-s002-mod

>  <DOI>
10.3390/M1450

$$$$

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>  <MOL_ID>
molbank-2022-M1449-s002

>  <DOI>
10.3390/M1449

$$$$

File : molbank-2022-M1449-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1449-s002-mod

>  <DOI>
10.3390/M1449

$$$$

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M  V30 16 C -1.691388 -1.786177 0.000000 0
M  V30 17 C -1.278888 -1.071706 0.000000 0
M  V30 18 C -2.928888 -2.500649 0.000000 0
M  V30 19 N 2.435476 1.786177 0.000000 0 CHG=1
M  V30 20 N 2.847976 2.500649 0.000000 0 CHG=-1
M  V30 21 N 2.214417 -1.292765 0.000000 0 CHG=1
M  V30 22 N 2.928888 -1.705265 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 1 8
M  V30 8 1 5 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 2 9 12
M  V30 12 2 9 13
M  V30 13 1 11 14
M  V30 14 2 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 10
M  V30 18 1 15 18
M  V30 19 2 6 19
M  V30 20 2 19 20
M  V30 21 2 7 21
M  V30 22 2 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1448-s003

>  <DOI>
10.3390/M1448

$$$$

File : molbank-2022-M1448-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  0.168324 1.456442 -2.163969 0
M  V30 2 C  0.657718 2.508518 -1.166708 0
M  V30 3 C  0.370207 2.032760 0.258737 0
M  V30 4 C  2.163588 2.715276 -1.341375 0
M  V30 5 N  -0.040276 3.773470 -1.409453 0
M  V30 6 N  -1.071150 1.829573 0.424352 0
M  V30 7 N  2.632191 3.722656 -0.386481 0
M  V30 8 C  0.789479 0.100879 -1.821164 0
M  V30 9 S  0.258571 4.631652 -2.793848 0
M  V30 10 C  -0.195755 3.605269 -4.152071 0
M  V30 11 C  -1.522427 3.501084 -4.526220 0
M  V30 12 O  -0.651389 5.723079 -2.793690 0
M  V30 13 O  1.668186 4.795015 -2.868270 0
M  V30 14 C  -1.878812 2.696175 -5.592044 0
M  V30 15 C  -0.908529 1.995445 -6.283728 0
M  V30 16 C  0.418089 2.099275 -5.909294 0
M  V30 17 C  0.775128 2.908641 -4.847048 0
M  V30 18 C  -1.297053 1.117950 -7.445666 0
M  V30 19 N  -1.473578 0.800622 0.630964 0 CHG=1
M  V30 20 N  -1.876006 -0.228329 0.837576 0 CHG=-1
M  V30 21 N  3.413950 3.454280 0.375228 0 CHG=1
M  V30 22 N  4.195710 3.185904 1.136938 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 7 1 1 8
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 8 1 5 9
M  V30 19 2 6 19
M  V30 21 2 7 21
M  V30 9 1 9 10
M  V30 11 2 9 12
M  V30 12 2 9 13
M  V30 10 2 10 11
M  V30 17 1 17 10
M  V30 13 1 11 14
M  V30 14 2 14 15
M  V30 15 1 15 16
M  V30 18 1 15 18
M  V30 16 2 16 17
M  V30 20 2 19 20
M  V30 22 2 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1448-s003-mod

>  <DOI>
10.3390/M1448

$$$$

File : molbank-2022-M1448-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.241803 0.671625 0.000000 0
M  V30 2 C -0.241803 -0.153375 0.000000 0
M  V30 3 C 0.583197 -0.153375 0.000000 0
M  V30 4 C -0.241803 -0.978375 0.000000 0
M  V30 5 N -1.066803 -0.153375 0.000000 0
M  V30 6 O 0.995697 0.561096 0.000000 0
M  V30 7 O 0.472668 -1.390875 0.000000 0
M  V30 8 C -0.956274 1.084125 0.000000 0
M  V30 9 S 1.820697 0.561096 0.000000 0
M  V30 10 C 2.233197 1.275567 0.000000 0
M  V30 11 S 0.768611 -2.195039 0.000000 0
M  V30 12 C 1.565500 -2.408565 0.000000 0
M  V30 13 O 1.607171 -0.235792 0.000000 0
M  V30 14 O 2.617585 0.347570 0.000000 0
M  V30 15 C 3.058197 1.275567 0.000000 0
M  V30 16 C 3.470697 1.990038 0.000000 0
M  V30 17 C 3.058197 2.704509 0.000000 0
M  V30 18 C 2.233197 2.704509 0.000000 0
M  V30 19 C 1.820697 1.990038 0.000000 0
M  V30 20 C 3.470697 3.418980 0.000000 0
M  V30 21 O -0.028277 -2.408565 0.000000 0
M  V30 22 O 0.768611 -3.020039 0.000000 0
M  V30 23 C 1.779026 -3.205454 0.000000 0
M  V30 24 C 2.575915 -3.418980 0.000000 0
M  V30 25 C 3.159278 -2.835616 0.000000 0
M  V30 26 C 2.945752 -2.038728 0.000000 0
M  V30 27 C 2.148863 -1.825202 0.000000 0
M  V30 28 C 3.956167 -3.049143 0.000000 0
M  V30 29 S -2.306167 -0.153375 0.000000 0
M  V30 30 C -2.718667 -0.867846 0.000000 0
M  V30 31 C -3.543667 -0.867846 0.000000 0
M  V30 32 O -2.519692 0.643514 0.000000 0
M  V30 33 O -3.131167 -0.153375 0.000000 0
M  V30 34 C -3.956167 -1.582317 0.000000 0
M  V30 35 C -3.543667 -2.296788 0.000000 0
M  V30 36 C -2.718667 -2.296788 0.000000 0
M  V30 37 C -2.306167 -1.582317 0.000000 0
M  V30 38 C -3.956167 -3.011259 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 7 1 1 8
M  V30 8 1 6 9
M  V30 9 1 9 10
M  V30 10 1 7 11
M  V30 11 1 11 12
M  V30 12 2 9 13
M  V30 13 2 9 14
M  V30 14 2 10 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 18
M  V30 18 2 18 19
M  V30 19 1 19 10
M  V30 20 1 17 20
M  V30 21 2 11 21
M  V30 22 2 11 22
M  V30 23 2 12 23
M  V30 24 1 23 24
M  V30 25 2 24 25
M  V30 26 1 25 26
M  V30 27 2 26 27
M  V30 28 1 27 12
M  V30 29 1 25 28
M  V30 30 1 5 29
M  V30 31 1 29 30
M  V30 32 2 30 31
M  V30 33 2 29 32
M  V30 34 2 29 33
M  V30 35 1 31 34
M  V30 36 2 34 35
M  V30 37 1 35 36
M  V30 38 2 36 37
M  V30 39 1 37 30
M  V30 40 1 35 38
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1448-s002

>  <DOI>
10.3390/M1448

$$$$

File : molbank-2022-M1448-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  2.100085 0.472021 0.101727 0
M  V30 2 C  0.594489 0.454990 0.373373 0
M  V30 3 C  0.349020 0.301339 1.875717 0
M  V30 4 C  -0.044717 -0.719272 -0.370552 0
M  V30 5 N  -0.000052 1.710180 -0.092719 0
M  V30 6 O  0.853925 1.449327 2.560725 0
M  V30 7 O  0.099980 -0.526350 -1.779057 0
M  V30 8 C  2.721006 -0.838861 0.588499 0
M  V30 9 S  0.769813 1.351978 4.077278 0
M  V30 10 C  2.032179 0.239067 4.599298 0
M  V30 11 S  -0.503240 -1.641006 -2.621762 0
M  V30 12 C  -2.252698 -1.434450 -2.584690 0
M  V30 13 O  1.128594 2.630961 4.581975 0
M  V30 14 O  -0.468677 0.720099 4.370726 0
M  V30 15 C  3.292402 0.717743 4.905250 0
M  V30 16 C  4.282652 -0.155316 5.315183 0
M  V30 17 C  4.012686 -1.507057 5.419166 0
M  V30 18 C  2.752592 -1.985792 5.112777 0
M  V30 19 C  1.760734 -1.111980 4.708316 0
M  V30 20 C  5.092235 -2.458847 5.866065 0
M  V30 21 O  -0.098459 -1.395081 -3.961506 0
M  V30 22 O  -0.227982 -2.855426 -1.937175 0
M  V30 23 C  -2.876918 -0.653972 -3.539730 0
M  V30 24 C  -4.249465 -0.492255 -3.510888 0
M  V30 25 C  -4.997803 -1.111014 -2.527005 0
M  V30 26 C  -4.373535 -1.891123 -1.571696 0
M  V30 27 C  -3.001597 -2.057456 -1.603919 0
M  V30 28 C  -6.494125 -0.934712 -2.495562 0
M  V30 29 S  -1.641850 1.832654 -0.271150 0
M  V30 30 C  -2.361713 1.538460 1.309954 0
M  V30 31 C  -2.437259 2.561795 2.236224 0
M  V30 32 O  -1.910784 3.191541 -0.587914 0
M  V30 33 O  -2.037367 0.748408 -1.100136 0
M  V30 34 C  -3.002383 2.331098 3.476500 0
M  V30 35 C  -3.491965 1.077064 3.790516 0
M  V30 36 C  -3.416008 0.053610 2.864412 0
M  V30 37 C  -2.856036 0.285810 1.622063 0
M  V30 38 C  -4.108051 0.825563 5.142638 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 7 1 1 8
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 3 6
M  V30 6 1 4 7
M  V30 30 1 5 29
M  V30 8 1 6 9
M  V30 10 1 7 11
M  V30 9 1 9 10
M  V30 12 2 9 13
M  V30 13 2 9 14
M  V30 14 2 10 15
M  V30 19 1 19 10
M  V30 11 1 11 12
M  V30 21 2 11 21
M  V30 22 2 11 22
M  V30 23 2 12 23
M  V30 28 1 27 12
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 18
M  V30 20 1 17 20
M  V30 18 2 18 19
M  V30 24 1 23 24
M  V30 25 2 24 25
M  V30 26 1 25 26
M  V30 29 1 25 28
M  V30 27 2 26 27
M  V30 31 1 29 30
M  V30 33 2 29 32
M  V30 34 2 29 33
M  V30 32 2 30 31
M  V30 39 1 37 30
M  V30 35 1 31 34
M  V30 36 2 34 35
M  V30 37 1 35 36
M  V30 40 1 35 38
M  V30 38 2 36 37
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1448-s002-mod

>  <DOI>
10.3390/M1448

$$$$

File : molbank-2022-M1447-s002.mol

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   18.6652    5.3156   13.3859 C      0
   18.1111    6.4557   12.7782 C      0
   16.7317    6.4982   12.6423 C      0
   16.3492    7.2494   12.2488 H      0
   15.8899    5.4722   13.0657 C      0
   16.4796    4.3872   13.6859 C      0
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   19.5655    7.3253   11.6337 H      0
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   22.2311    2.7231   17.4792 H      0
   23.5390    2.3921   16.6856 H      0
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   23.1534    3.5131   14.4702 C      0
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   23.7375    4.2329   14.7169 H      0
   22.7098    3.7285   13.6461 H      0
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   17.5418    7.5108   17.2339 C      0
   16.7861    7.6013   16.0762 C      0
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   15.5510    8.2480   16.0684 C      0
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   14.2812    9.2691   17.2645 H      0
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M  END
>  <MOL_ID>
molbank-2022-M1447-s002

>  <DOI>
10.3390/M1447

$$$$

File : molbank-2022-M1447-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1447-s002-mod

>  <DOI>
10.3390/M1447

$$$$

File : molbank-2022-M1446-s002.mol

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molbank-2022-M1446-s002

>  <DOI>
10.3390/M1446

$$$$

File : molbank-2022-M1446-s002-mod.mol

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molbank-2022-M1446-s002-mod

>  <DOI>
10.3390/M1446

$$$$

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molbank-2022-M1445-s004

>  <DOI>
10.3390/M1445

$$$$

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molbank-2022-M1445-s004-mod

>  <DOI>
10.3390/M1445

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>  <MOL_ID>
molbank-2022-M1445-s003

>  <DOI>
10.3390/M1445

$$$$

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>  <MOL_ID>
molbank-2022-M1445-s003-mod

>  <DOI>
10.3390/M1445

$$$$

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>  <MOL_ID>
molbank-2022-M1445-s002

>  <DOI>
10.3390/M1445

$$$$

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>  <MOL_ID>
molbank-2022-M1445-s002-mod

>  <DOI>
10.3390/M1445

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>  <MOL_ID>
molbank-2022-M1444-s002

>  <DOI>
10.3390/M1444

$$$$

File : molbank-2022-M1444-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1444-s002-mod

>  <DOI>
10.3390/M1444

$$$$

File : molbank-2022-M1443-s002.mol

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M  SAL   6  2  41  42
M  SBL   6  1  49
M  SMT   6 CO
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M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  43  44
M  SBL   7  1  51
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M  SBL   9  1  55
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M  END
>  <MOL_ID>
molbank-2022-M1443-s002

>  <DOI>
10.3390/M1443

$$$$

File : molbank-2022-M1443-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1443-s002-mod

>  <DOI>
10.3390/M1443

$$$$

File : molbank-2022-M1442-s002.mol

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>  <MOL_ID>
molbank-2022-M1442-s002

>  <DOI>
10.3390/M1442

$$$$

File : molbank-2022-M1442-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1442-s002-mod

>  <DOI>
10.3390/M1442

$$$$

File : molbank-2022-M1441-s003.mol

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>  <MOL_ID>
molbank-2022-M1441-s003

>  <DOI>
10.3390/M1441

$$$$

File : molbank-2022-M1441-s003-mod.mol

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molbank-2022-M1441-s003-mod

>  <DOI>
10.3390/M1441

$$$$

File : molbank-2022-M1441-s002.mol

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>  <MOL_ID>
molbank-2022-M1441-s002

>  <DOI>
10.3390/M1441

$$$$

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>  <MOL_ID>
molbank-2022-M1441-s002-mod

>  <DOI>
10.3390/M1441

$$$$

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>  <MOL_ID>
molbank-2022-M1440-s002

>  <DOI>
10.3390/M1440

$$$$

File : molbank-2022-M1440-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1440-s002-mod

>  <DOI>
10.3390/M1440

$$$$

File : molbank-2022-M1439-s002.mol

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>  <MOL_ID>
molbank-2022-M1439-s002

>  <DOI>
10.3390/M1439

$$$$

File : molbank-2022-M1439-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1439-s002-mod

>  <DOI>
10.3390/M1439

$$$$

File : molbank-2022-M1438-s002.mol

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M  CHG  4  45   1  46   1  85  -1  86  -1
M  END
>  <MOL_ID>
molbank-2022-M1438-s002

>  <DOI>
10.3390/M1438

$$$$

File : molbank-2022-M1438-s002-mod.mol

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M  CHG  4  45   1  46   1  85  -1  86  -1
M  END
>  <MOL_ID>
molbank-2022-M1438-s002-mod

>  <DOI>
10.3390/M1438

$$$$

File : molbank-2022-M1437-s002.mol

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>  <MOL_ID>
molbank-2022-M1437-s002

>  <DOI>
10.3390/M1437

$$$$

File : molbank-2022-M1437-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1437-s002-mod

>  <DOI>
10.3390/M1437

$$$$

File : molbank-2022-M1436-s002.mol

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>  <MOL_ID>
molbank-2022-M1436-s002

>  <DOI>
10.3390/M1436

$$$$

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>  <MOL_ID>
molbank-2022-M1436-s002-mod

>  <DOI>
10.3390/M1436

$$$$

File : molbank-2022-M1435-s002.mol

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>  <MOL_ID>
molbank-2022-M1435-s002

>  <DOI>
10.3390/M1435

$$$$

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>  <MOL_ID>
molbank-2022-M1435-s002-mod

>  <DOI>
10.3390/M1435

$$$$

File : molbank-2022-M1434-s002.mol

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>  <MOL_ID>
molbank-2022-M1434-s002

>  <DOI>
10.3390/M1434

$$$$

File : molbank-2022-M1434-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1434-s002-mod

>  <DOI>
10.3390/M1434

$$$$

File : molbank-2022-M1433-s002.mol

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 32 33  2  0
 34 35  2  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4   8   9  10  11
M  SBL   1  1   5
M  SMT   1 ^tBu
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  12  13  14  15
M  SBL   2  1   7
M  SMT   2 ^tBu
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  6  16  17  18  19  20  21
M  SBL   3  1   8
M  SMT   3 ^Ph
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  6  22  23  24  25  26  27
M  SBL   4  1   9
M  SMT   4 ^Ph
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  11
M  SMT   5 ^CO
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  30  31
M  SBL   6  1  12
M  SMT   6 ^CO
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  32  33
M  SBL   7  1  13
M  SMT   7 ^CO
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  2  34  35
M  SBL   8  1  14
M  SMT   8 ^CO
M  END
>  <MOL_ID>
molbank-2022-M1433-s002

>  <DOI>
10.3390/M1433

$$$$

File : molbank-2022-M1433-s002-mod.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4   8   9  10  11
M  SBL   1  1   5
M  SMT   1 ^tBu
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  12  13  14  15
M  SBL   2  1   7
M  SMT   2 ^tBu
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  6  16  17  18  19  20  21
M  SBL   3  1   8
M  SMT   3 ^Ph
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  6  22  23  24  25  26  27
M  SBL   4  1   9
M  SMT   4 ^Ph
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  11
M  SMT   5 ^CO
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  30  31
M  SBL   6  1  12
M  SMT   6 ^CO
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  32  33
M  SBL   7  1  13
M  SMT   7 ^CO
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  2  34  35
M  SBL   8  1  14
M  SMT   8 ^CO
M  END
>  <MOL_ID>
molbank-2022-M1433-s002-mod

>  <DOI>
10.3390/M1433

$$$$

File : molbank-2022-M1432-s002.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6  15  16  17  18  19  20
M  SBL   1  1  17
M  SMT   1 ^Ph
M  END
>  <MOL_ID>
molbank-2022-M1432-s002

>  <DOI>
10.3390/M1432

$$$$

File : molbank-2022-M1432-s002-mod.mol

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  SLB  1   1   1
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M  SMT   1 ^Ph
M  END
>  <MOL_ID>
molbank-2022-M1432-s002-mod

>  <DOI>
10.3390/M1432

$$$$

File : molbank-2022-M1431-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C 3.677700 -4.242499 0.000000 0 HCOUNT=1
M  V30 3 C 4.353199 -4.632500 0.000000 0
M  V30 4 C 5.028699 -4.242499 0.000000 0 HCOUNT=1
M  V30 5 C 5.704199 -4.632500 0.000000 0
M  V30 6 C 6.379700 -4.242499 0.000000 0
M  V30 7 C 7.055200 -4.632500 0.000000 0
M  V30 8 C 7.730699 -4.242499 0.000000 0 HCOUNT=1
M  V30 9 C 8.406200 -4.632500 0.000000 0 HCOUNT=1
M  V30 10 C 8.406200 -5.412499 0.000000 0
M  V30 11 C 7.730699 -5.802499 0.000000 0 HCOUNT=1
M  V30 12 C 7.055200 -5.412499 0.000000 0
M  V30 13 N 6.379700 -5.802499 0.000000 0 CHG=1
M  V30 14 C 5.704199 -5.412499 0.000000 0
M  V30 15 C 5.028699 -5.802499 0.000000 0 HCOUNT=1
M  V30 16 C 4.353199 -5.412499 0.000000 0
M  V30 17 C 3.677700 -5.802499 0.000000 0 HCOUNT=1
M  V30 18 C 3.002199 -5.412499 0.000000 0 HCOUNT=1
M  V30 19 C 6.380000 -6.582499 0.000000 0 HCOUNT=3
M  V30 20 O 9.081800 -5.802299 0.000000 0
M  V30 21 C 9.757200 -5.412000 0.000000 0 HCOUNT=3
M  V30 22 C 6.379300 -3.462500 0.000000 0
M  V30 23 C 5.703700 -3.072799 0.000000 0 HCOUNT=1
M  V30 24 C 5.703400 -2.292799 0.000000 0 HCOUNT=1
M  V30 25 C 6.378699 -1.902500 0.000000 0 HCOUNT=1
M  V30 26 C 7.054399 -2.292299 0.000000 0 HCOUNT=1
M  V30 27 C 7.054699 -3.072299 0.000000 0 HCOUNT=1
M  V30 28 I 10.433400 -4.722700 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 2 6 7
M  V30 7 1 7 8
M  V30 8 2 8 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 18
M  V30 18 2 18 1
M  V30 19 1 3 16
M  V30 20 1 5 14
M  V30 21 1 13 19
M  V30 22 1 7 12
M  V30 23 1 10 20
M  V30 24 1 20 21
M  V30 25 1 6 22
M  V30 26 1 22 23
M  V30 27 2 23 24
M  V30 28 1 24 25
M  V30 29 2 25 26
M  V30 30 1 26 27
M  V30 31 2 27 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1431-s002

>  <DOI>
10.3390/M1431

$$$$

File : molbank-2022-M1431-s002-mod.mol

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  -1.234737 2.101829 0.031038 0
M  V30 2 C  -1.216001 3.459086 0.033229 0
M  V30 3 C  -0.018623 4.176088 0.025660 0
M  V30 4 C  1.186962 3.552933 0.010322 0
M  V30 5 C  1.242218 2.141853 0.001701 0
M  V30 6 C  -0.016814 1.388703 0.009677 0
M  V30 7 C  2.461051 1.470108 -0.013111 0
M  V30 8 C  2.484956 0.070526 -0.020840 0
M  V30 9 C  1.222434 -0.677800 -0.013227 0
M  V30 10 C  0.002075 -0.004068 0.002017 0
M  V30 11 N  3.656006 -0.573703 -0.034638 0 CHG=1
M  V30 12 C  3.729633 -1.899618 -0.042294 0
M  V30 13 C  2.514484 -2.720494 -0.035414 0
M  V30 14 C  1.255957 -2.095223 -0.021070 0
M  V30 15 C  4.979369 -2.552078 -0.056774 0
M  V30 16 C  5.028999 -3.914596 -0.063462 0
M  V30 17 C  3.864861 -4.692632 -0.057258 0
M  V30 18 C  2.632306 -4.123100 -0.043366 0
M  V30 19 C  0.010078 -2.888007 -0.013910 0
M  V30 20 C  -0.318007 -3.689720 -1.110124 0
M  V30 21 C  -1.483201 -4.427374 -1.096525 0
M  V30 22 C  -2.326620 -4.374805 -0.000519 0
M  V30 23 C  -2.008248 -3.582514 1.088638 0
M  V30 24 C  -0.843295 -2.844322 1.091493 0
M  V30 25 O  6.237867 -4.532637 -0.076961 0
M  V30 26 C  6.235871 -5.961619 -0.084015 0
M  V30 27 C  4.895904 0.206577 -0.041030 0
M  V30 28 I  11.237867 9.176088 6.091493 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 10 1 5 7
M  V30 11 1 10 6
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 28 1 8 11
M  V30 9 2 9 10
M  V30 14 1 14 9
M  V30 27 2 11 12
M  V30 31 1 11 27
M  V30 12 1 12 13
M  V30 18 1 12 15
M  V30 13 2 13 14
M  V30 19 1 18 13
M  V30 20 1 14 19
M  V30 15 2 15 16
M  V30 16 1 16 17
M  V30 29 1 16 25
M  V30 17 2 17 18
M  V30 25 2 19 20
M  V30 26 1 24 19
M  V30 21 1 20 21
M  V30 22 2 21 22
M  V30 23 1 22 23
M  V30 24 2 23 24
M  V30 30 1 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1431-s002-mod

>  <DOI>
10.3390/M1431

$$$$

File : molbank-2022-M1430-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.855556 1.308825 0.000000 0
M  V30 2 C -0.855556 0.483825 0.000000 0
M  V30 3 C -0.141084 0.071325 0.000000 0
M  V30 4 C 0.573386 0.483825 0.000000 0
M  V30 5 C 0.573386 1.308825 0.000000 0
M  V30 6 C -0.141084 1.721325 0.000000 0
M  V30 7 N 1.358007 0.228887 0.000000 0
M  V30 8 C 1.842931 0.896325 0.000000 0
M  V30 9 C 1.358007 1.563764 0.000000 0
M  V30 10 C 2.663411 0.982561 0.000000 0
M  V30 11 C 2.998969 1.736236 0.000000 0
M  V30 12 C 2.514046 2.403675 0.000000 0
M  V30 13 C 1.693565 2.317440 0.000000 0
M  V30 14 C -0.141084 -0.753675 0.000000 0
M  V30 15 O 0.573386 -1.166175 0.000000 0
M  V30 16 C -0.855556 -1.166175 0.000000 0
M  V30 17 C -1.570027 -0.753675 0.000000 0
M  V30 18 C -2.284498 -1.166175 0.000000 0
M  V30 19 C -2.284498 -1.991175 0.000000 0
M  V30 20 C -1.570027 -2.403675 0.000000 0
M  V30 21 C -0.855556 -1.991175 0.000000 0
M  V30 22 F -2.998969 -2.403675 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 5
M  V30 11 1 8 10
M  V30 12 2 10 11
M  V30 13 1 11 12
M  V30 14 2 12 13
M  V30 15 1 13 9
M  V30 16 1 3 14
M  V30 17 2 14 15
M  V30 18 1 14 16
M  V30 19 2 16 17
M  V30 20 1 17 18
M  V30 21 2 18 19
M  V30 22 1 19 20
M  V30 23 2 20 21
M  V30 24 1 21 16
M  V30 25 1 19 22
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1430-s002

>  <DOI>
10.3390/M1430

$$$$

File : molbank-2022-M1430-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  -1.070506 2.300016 0.126559 0
M  V30 2 C  0.019328 1.454325 0.070317 0
M  V30 3 C  1.314903 1.972927 0.050361 0
M  V30 4 C  1.508395 3.365370 0.093721 0
M  V30 5 C  0.389786 4.209408 0.156496 0
M  V30 6 C  -0.892900 3.669536 0.175352 0
M  V30 7 N  2.643398 4.143535 0.087634 0
M  V30 8 C  2.308580 5.484910 0.144750 0
M  V30 9 C  0.910530 5.588955 0.189728 0
M  V30 10 C  3.078921 6.643565 0.162773 0
M  V30 11 C  2.467773 7.877384 0.223856 0
M  V30 12 C  1.085724 7.978221 0.268728 0
M  V30 13 C  0.305892 6.841849 0.251751 0
M  V30 14 C  2.474566 1.065949 -0.016312 0
M  V30 15 O  2.821784 0.449115 0.972675 0
M  V30 16 C  3.215011 0.906090 -1.283996 0
M  V30 17 C  4.380107 0.135733 -1.323248 0
M  V30 18 C  5.066744 -0.010366 -2.509113 0
M  V30 19 C  4.603163 0.605072 -3.662218 0
M  V30 20 C  3.447374 1.370826 -3.629149 0
M  V30 21 C  2.749960 1.519876 -2.449943 0
M  V30 22 F  5.279807 0.457719 -4.822235 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 16 1 3 14
M  V30 4 1 4 5
M  V30 7 1 4 7
M  V30 5 2 5 6
M  V30 10 1 9 5
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 11 1 8 10
M  V30 15 1 13 9
M  V30 12 2 10 11
M  V30 13 1 11 12
M  V30 14 2 12 13
M  V30 17 2 14 15
M  V30 18 1 14 16
M  V30 19 2 16 17
M  V30 24 1 21 16
M  V30 20 1 17 18
M  V30 21 2 18 19
M  V30 22 1 19 20
M  V30 25 1 19 22
M  V30 23 2 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1430-s002-mod

>  <DOI>
10.3390/M1430

$$$$

File : molbank-2022-M1429-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1429-s002

>  <DOI>
10.3390/M1429

$$$$

File : molbank-2022-M1429-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1429-s002-mod

>  <DOI>
10.3390/M1429

$$$$

File : molbank-2022-M1428-s002.mol

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>  <MOL_ID>
molbank-2022-M1428-s002

>  <DOI>
10.3390/M1428

$$$$

File : molbank-2022-M1428-s002-mod.mol

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>  <DOI>
10.3390/M1428

$$$$

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>  <DOI>
10.3390/M1427

$$$$

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>  <MOL_ID>
molbank-2022-M1427-s003-mod

>  <DOI>
10.3390/M1427

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M1427

$$$$

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>  <MOL_ID>
molbank-2022-M1427-s002-mod

>  <DOI>
10.3390/M1427

$$$$

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M  END
>  <MOL_ID>
molbank-2022-M1426-s013

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s013-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1426-s013-mod

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s012.mol

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M  SBL   2  1  36
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M  SAL   3  3  37  38  39
M  SBL   3  1  39
M  SMT   3 NR1R2
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M  STY  1   4 SUP
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M  SAL   4  2  40  41
M  SMT   4 ROH
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  60  61
M  SBL   5  1  62
M  SMT   5 OR
M  SBV   5 62  -18.0476    9.0377
M  END
>  <MOL_ID>
molbank-2022-M1426-s012

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s012-mod.mol

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M  SBL   3  1  39
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M  STY  1   4 SUP
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M  SMT   4 ROH
M  STY  1   5 SUP
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M  SAL   5  2  60  61
M  SBL   5  1  62
M  SMT   5 OR
M  SBV   5 62  -18.0476    9.0377
M  END
>  <MOL_ID>
molbank-2022-M1426-s012-mod

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s011.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2 185 186
M  SBL   1  1 198
M  SMT   1 OCH3
M  SBV   1198  -17.4061    8.3378
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2 188 189
M  SMT   2 II
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3 190 191 192
M  SMT   3 III
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2 193 194
M  SMT   4 IV
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2 196 197
M  SMT   5 VI
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  3 198 199 200
M  SMT   6 VII
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  6 201 202 203 204 205 206
M  SMT   7 VIII - IX
M  END
>  <MOL_ID>
molbank-2022-M1426-s011

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s011-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1426-s011-mod

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s010.mol

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>  <MOL_ID>
molbank-2022-M1426-s010

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s010-mod.mol

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>  <MOL_ID>
molbank-2022-M1426-s010-mod

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s009.mol

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>  <MOL_ID>
molbank-2022-M1426-s009

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s009-mod

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s008

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s008-mod

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s007

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s007-mod

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s006

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s006-mod

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s005

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s005-mod.mol

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>  <MOL_ID>
molbank-2022-M1426-s005-mod

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s004.mol

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>  <MOL_ID>
molbank-2022-M1426-s004

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s004-mod.mol

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>  <MOL_ID>
molbank-2022-M1426-s004-mod

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s003

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s003-mod

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1426-s002

>  <DOI>
10.3390/M1426

$$$$

File : molbank-2022-M1426-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1426-s002-mod

>  <DOI>
10.3390/M1426

$$$$

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>  <MOL_ID>
molbank-2022-M1425-s002

>  <DOI>
10.3390/M1425

$$$$

File : molbank-2022-M1425-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1425-s002-mod

>  <DOI>
10.3390/M1425

$$$$

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>  <MOL_ID>
molbank-2022-M1424-s002

>  <DOI>
10.3390/M1424

$$$$

File : molbank-2022-M1424-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1424-s002-mod

>  <DOI>
10.3390/M1424

$$$$

File : molbank-2022-M1423-s002.mol

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>  <MOL_ID>
molbank-2022-M1423-s002

>  <DOI>
10.3390/M1423

$$$$

File : molbank-2022-M1423-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1423-s002-mod

>  <DOI>
10.3390/M1423

$$$$

File : molbank-2022-M1422-s002.mol

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>  <MOL_ID>
molbank-2022-M1422-s002

>  <DOI>
10.3390/M1422

$$$$

File : molbank-2022-M1422-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1422-s002-mod

>  <DOI>
10.3390/M1422

$$$$

File : molbank-2022-M1421-s002.mol

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>  <MOL_ID>
molbank-2022-M1421-s002

>  <DOI>
10.3390/M1421

$$$$

File : molbank-2022-M1421-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1421-s002-mod

>  <DOI>
10.3390/M1421

$$$$

File : molbank-2022-M1420-s002.mol

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>  <MOL_ID>
molbank-2022-M1420-s002

>  <DOI>
10.3390/M1420

$$$$

File : molbank-2022-M1420-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1420-s002-mod

>  <DOI>
10.3390/M1420

$$$$

File : molbank-2022-M1419-s002.mol

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>  <MOL_ID>
molbank-2022-M1419-s002

>  <DOI>
10.3390/M1419

$$$$

File : molbank-2022-M1419-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1419-s002-mod

>  <DOI>
10.3390/M1419

$$$$

File : molbank-2022-M1418-s002.mol

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>  <MOL_ID>
molbank-2022-M1418-s002

>  <DOI>
10.3390/M1418

$$$$

File : molbank-2022-M1418-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1418-s002-mod

>  <DOI>
10.3390/M1418

$$$$

File : molbank-2022-M1417-s002.mol

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R1
A   15
R2
M  END
>  <MOL_ID>
molbank-2022-M1417-s002

>  <DOI>
10.3390/M1417

$$$$

File : molbank-2022-M1417-s002-mod.mol

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A   14
R1
A   15
R2
M  END
>  <MOL_ID>
molbank-2022-M1417-s002-mod

>  <DOI>
10.3390/M1417

$$$$

File : molbank-2022-M1415-s002.mol

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <MOL_ID>
molbank-2022-M1415-s002

>  <DOI>
10.3390/M1415

$$$$

File : molbank-2022-M1415-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1415-s002-mod

>  <DOI>
10.3390/M1415

$$$$

File : molbank-2022-M1414-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 20 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.501011 0.820958 0.000000 0
M  V30 2 C -2.497188 -0.001168 0.000000 0
M  V30 3 C -1.783294 -0.408921 0.000000 0
M  V30 4 C -1.073223 0.005453 0.000000 0
M  V30 5 C -1.077045 0.827580 0.000000 0
M  V30 6 C -1.790940 1.235332 0.000000 0
M  V30 7 C -1.794763 2.057460 0.000000 0
M  V30 8 C -2.508657 2.465212 0.000000 0
M  V30 9 C -1.779471 -1.231048 0.000000 0
M  V30 10 N -1.063090 -1.640222 0.000000 0
M  V30 11 C -0.350544 -1.224403 0.000000 0
M  V30 12 C -1.059254 -2.465212 0.000000 0
M  V30 13 C -1.066926 -0.815230 0.000000 0 CHG=1
M  V30 14 C 0.365837 -1.633577 0.000000 0
M  V30 15 O 0.369673 -2.458568 0.000000 0
M  V30 16 C 1.078381 -1.217759 0.000000 0
M  V30 17 S 1.794763 -1.626932 0.000000 0
M  V30 18 O 2.202515 -0.913037 0.000000 0
M  V30 19 O 1.387009 -2.340826 0.000000 0
M  V30 20 O 2.508657 -2.034684 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 17 18
M  V30 2 2 17 19
M  V30 3 1 17 20
M  V30 4 1 16 17
M  V30 5 2 1 2
M  V30 6 1 2 3
M  V30 7 2 3 4
M  V30 8 1 4 5
M  V30 9 2 5 6
M  V30 10 1 6 1
M  V30 11 1 6 7
M  V30 12 2 7 8
M  V30 13 1 3 9
M  V30 14 1 9 10
M  V30 15 1 10 11
M  V30 16 1 10 12
M  V30 17 1 10 13
M  V30 18 1 11 14
M  V30 19 1 14 15
M  V30 20 1 14 16
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(4 17 18 19 20) XBONDS=(1 4) LABEL=SO3 CSTATE=(4 4 -
M  V30 -0.716381 0.409173 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1414-s003

>  <DOI>
10.3390/M1414

$$$$

File : molbank-2022-M1414-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 20 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.501011 0.820958 0.000000 0
M  V30 2 C -2.497188 -0.001168 0.000000 0
M  V30 3 C -1.783294 -0.408921 0.000000 0
M  V30 4 C -1.073223 0.005453 0.000000 0
M  V30 5 C -1.077045 0.827580 0.000000 0
M  V30 6 C -1.790940 1.235332 0.000000 0
M  V30 7 C -1.794763 2.057460 0.000000 0
M  V30 8 C -2.508657 2.465212 0.000000 0
M  V30 9 C -1.779471 -1.231048 0.000000 0
M  V30 10 N -1.063090 -1.640222 0.000000 0
M  V30 11 C -0.350544 -1.224403 0.000000 0
M  V30 12 C -1.059254 -2.465212 0.000000 0
M  V30 13 C -1.066926 -0.815230 0.000000 0 CHG=1
M  V30 14 C 0.365837 -1.633577 0.000000 0
M  V30 15 O 0.369673 -2.458568 0.000000 0
M  V30 16 C 1.078381 -1.217759 0.000000 0
M  V30 17 S 1.794763 -1.626932 0.000000 0
M  V30 18 O 2.202515 -0.913037 0.000000 0
M  V30 19 O 1.387009 -2.340826 0.000000 0
M  V30 20 O 2.508657 -2.034684 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 17 18
M  V30 2 2 17 19
M  V30 3 1 17 20
M  V30 4 1 16 17
M  V30 5 2 1 2
M  V30 6 1 2 3
M  V30 7 2 3 4
M  V30 8 1 4 5
M  V30 9 2 5 6
M  V30 10 1 6 1
M  V30 11 1 6 7
M  V30 12 2 7 8
M  V30 13 1 3 9
M  V30 14 1 9 10
M  V30 15 1 10 11
M  V30 16 1 10 12
M  V30 17 1 10 13
M  V30 18 1 11 14
M  V30 19 1 14 15
M  V30 20 1 14 16
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(4 17 18 19 20) XBONDS=(1 4) LABEL=SO3 CSTATE=(4 4 -
M  V30 -0.716381 0.409173 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1414-s003-mod

>  <DOI>
10.3390/M1414

$$$$

File : molbank-2022-M1414-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.000102 1.447576 0.000000 0
M  V30 2 C -2.996279 0.625449 0.000000 0
M  V30 3 C -2.282384 0.217696 0.000000 0
M  V30 4 C -1.572313 0.632070 0.000000 0
M  V30 5 C -1.576136 1.454198 0.000000 0
M  V30 6 C -2.290030 1.861950 0.000000 0
M  V30 7 C -2.293853 2.684077 0.000000 0
M  V30 8 C -3.007747 3.091829 0.000000 0
M  V30 9 C -2.278562 -0.604431 0.000000 0
M  V30 10 N -1.564667 -1.012184 0.000000 0
M  V30 11 C -1.474930 -1.829407 0.000000 0
M  V30 12 C -0.669973 -1.996597 0.000000 0
M  V30 13 N -0.262220 -1.282703 0.000000 0 CHG=1
M  V30 14 C -0.815172 -0.674302 0.000000 0
M  V30 15 C 0.555003 -1.192965 0.000000 0
M  V30 16 C 1.041330 -1.855833 0.000000 0
M  V30 17 C 1.858553 -1.766095 0.000000 0
M  V30 18 O 0.710433 -2.608438 0.000000 0
M  V30 19 S 2.344880 -2.428962 0.000000 0
M  V30 20 O 3.007747 -1.942634 0.000000 0
M  V30 21 O 1.682012 -2.915290 0.000000 0
M  V30 22 O 2.831208 -3.091829 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 19 20
M  V30 2 2 19 21
M  V30 3 1 19 22
M  V30 4 1 17 19
M  V30 5 2 1 2
M  V30 6 1 2 3
M  V30 7 2 3 4
M  V30 8 1 4 5
M  V30 9 2 5 6
M  V30 10 1 6 1
M  V30 11 1 6 7
M  V30 12 2 7 8
M  V30 13 1 3 9
M  V30 14 1 9 10
M  V30 15 1 10 11
M  V30 16 2 11 12
M  V30 17 1 12 13
M  V30 18 2 13 14
M  V30 19 1 14 10
M  V30 20 1 13 15
M  V30 21 1 15 16
M  V30 22 1 16 17
M  V30 23 1 16 18
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(4 19 20 21 22) XBONDS=(1 4) LABEL="SO\s3" CSTATE=(4 4 -
M  V30 -0.486327 0.662867 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1414-s002

>  <DOI>
10.3390/M1414

$$$$

File : molbank-2022-M1414-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.000102 1.447576 0.000000 0
M  V30 2 C -2.996279 0.625449 0.000000 0
M  V30 3 C -2.282384 0.217696 0.000000 0
M  V30 4 C -1.572313 0.632070 0.000000 0
M  V30 5 C -1.576136 1.454198 0.000000 0
M  V30 6 C -2.290030 1.861950 0.000000 0
M  V30 7 C -2.293853 2.684077 0.000000 0
M  V30 8 C -3.007747 3.091829 0.000000 0
M  V30 9 C -2.278562 -0.604431 0.000000 0
M  V30 10 N -1.564667 -1.012184 0.000000 0
M  V30 11 C -1.474930 -1.829407 0.000000 0
M  V30 12 C -0.669973 -1.996597 0.000000 0
M  V30 13 N -0.262220 -1.282703 0.000000 0 CHG=1
M  V30 14 C -0.815172 -0.674302 0.000000 0
M  V30 15 C 0.555003 -1.192965 0.000000 0
M  V30 16 C 1.041330 -1.855833 0.000000 0
M  V30 17 C 1.858553 -1.766095 0.000000 0
M  V30 18 O 0.710433 -2.608438 0.000000 0
M  V30 19 S 2.344880 -2.428962 0.000000 0
M  V30 20 O 3.007747 -1.942634 0.000000 0
M  V30 21 O 1.682012 -2.915290 0.000000 0
M  V30 22 O 2.831208 -3.091829 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 19 20
M  V30 2 2 19 21
M  V30 3 1 19 22
M  V30 4 1 17 19
M  V30 5 2 1 2
M  V30 6 1 2 3
M  V30 7 2 3 4
M  V30 8 1 4 5
M  V30 9 2 5 6
M  V30 10 1 6 1
M  V30 11 1 6 7
M  V30 12 2 7 8
M  V30 13 1 3 9
M  V30 14 1 9 10
M  V30 15 1 10 11
M  V30 16 2 11 12
M  V30 17 1 12 13
M  V30 18 2 13 14
M  V30 19 1 14 10
M  V30 20 1 13 15
M  V30 21 1 15 16
M  V30 22 1 16 17
M  V30 23 1 16 18
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(4 19 20 21 22) XBONDS=(1 4) LABEL="SO\s3" CSTATE=(4 4 -
M  V30 -0.486327 0.662867 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1414-s002-mod

>  <DOI>
10.3390/M1414

$$$$

File : molbank-2022-M1413-s002.mol

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   29.4779  -10.2659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   28.8023   -7.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8288   -8.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4779   -5.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4779   -5.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8288   -6.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8288   -6.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7757   -8.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  7  5  1  0
  8  7  1  0
  9  8  1  0
 10  9  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
  9 18  1  1
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
  8 30  1  6
  7 24  1  1
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 31  1  0
 26 33  1  0
  1 35  1  0
 31 32  1  0
 33 34  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  1  30
M  SBL   1  1  27
M  SMT   1 ^Me
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  35
M  SMT   2 ^OMe
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  33  34
M  SBL   3  1  36
M  SMT   3 ^OMe
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  35
M  SBL   4  1  37
M  SMT   4 ^Me
M  END
>  <MOL_ID>
molbank-2022-M1413-s002

>  <DOI>
10.3390/M1413

$$$$

File : molbank-2022-M1413-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 35 39 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 27.451259 -9.095975 0.000000 0
M  V30 2 C 27.451259 -9.875917 0.000000 0 HCOUNT=1
M  V30 3 C 28.126848 -10.265992 0.000000 0 HCOUNT=1
M  V30 4 C 28.802330 -9.875917 0.000000 0
M  V30 5 C 28.802330 -9.095975 0.000000 0
M  V30 6 C 28.126848 -8.705901 0.000000 0 HCOUNT=1
M  V30 7 N 29.477922 -10.265992 0.000000 0
M  V30 8 C 29.477922 -11.046038 0.000000 0
M  V30 9 O 30.153404 -11.436009 0.000000 0
M  V30 10 C 28.802330 -11.436009 0.000000 0
M  V30 11 C 28.089803 -11.118773 0.000000 0 HCOUNT=1
M  V30 12 C 27.567825 -11.698460 0.000000 0 HCOUNT=1
M  V30 13 C 27.957796 -12.373943 0.000000 0 HCOUNT=1
M  V30 14 O 28.720830 -12.211776 0.000000 0
M  V30 15 C 30.828886 -11.046038 0.000000 0 HCOUNT=1
M  V30 16 C 31.504472 -11.436009 0.000000 0 HCOUNT=1
M  V30 17 C 32.179958 -11.046038 0.000000 0 HCOUNT=1
M  V30 18 C 32.179958 -10.265992 0.000000 0 HCOUNT=1
M  V30 19 C 31.504472 -9.875917 0.000000 0 HCOUNT=1
M  V30 20 C 30.153404 -7.535883 0.000000 0 HCOUNT=1
M  V30 21 C 30.153404 -6.755837 0.000000 0
M  V30 22 C 29.477922 -6.365867 0.000000 0
M  V30 23 C 28.802330 -6.755837 0.000000 0 HCOUNT=1
M  V30 24 C 28.802330 -7.535883 0.000000 0 HCOUNT=1
M  V30 25 C 29.477922 -8.705901 0.000000 0 HCOUNT=1
M  V30 26 C 29.477922 -7.925854 0.000000 0
M  V30 27 C 30.153404 -9.875917 0.000000 0 HCOUNT=1
M  V30 28 C 30.828886 -10.265992 0.000000 0
M  V30 29 C 30.153404 -9.095975 0.000000 0 HCOUNT=1
M  V30 30 C 30.828886 -8.705901 0.000000 0 HCOUNT=3
M  V30 31 O 29.477922 -5.585821 0.000000 0
M  V30 32 C 29.477922 -5.585821 0.000000 0 HCOUNT=3
M  V30 33 O 30.828886 -6.365867 0.000000 0
M  V30 34 C 30.828886 -6.365867 0.000000 0 HCOUNT=3
M  V30 35 C 26.775777 -8.705901 0.000000 0 HCOUNT=3
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 25 5
M  V30 8 1 29 25
M  V30 9 1 27 29
M  V30 10 1 7 27
M  V30 11 1 4 7
M  V30 12 1 7 8
M  V30 13 2 8 9
M  V30 14 1 8 10
M  V30 15 2 10 11
M  V30 16 1 11 12
M  V30 17 2 12 13
M  V30 18 1 13 14
M  V30 19 1 14 10
M  V30 20 2 28 15
M  V30 21 1 15 16
M  V30 22 2 16 17
M  V30 23 1 17 18
M  V30 24 2 18 19
M  V30 25 1 19 28
M  V30 26 2 26 20
M  V30 27 1 20 21
M  V30 28 2 21 22
M  V30 29 1 22 23
M  V30 30 2 23 24
M  V30 31 1 24 26
M  V30 32 1 22 31
M  V30 33 1 21 33
M  V30 34 1 1 35
M  V30 35 1 25 26 CFG=1
M  V30 36 1 27 28 CFG=1
M  V30 37 1 29 30 CFG=3
M  V30 38 1 31 32
M  V30 39 1 33 34
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 30) XBONDS=(1 37) LABEL="^Me"
M  V30 2 SUP 2 ATOMS=(2 31 32) XBONDS=(1 32) LABEL="^OMe"
M  V30 3 SUP 3 ATOMS=(2 33 34) XBONDS=(1 33) LABEL="^OMe"
M  V30 4 SUP 4 ATOMS=(1 35) XBONDS=(1 34) LABEL="^Me"
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1413-s002-mod

>  <DOI>
10.3390/M1413

$$$$

File : molbank-2022-M1412-s003.mol

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 15 16  2  0
 15 17  1  0
M  END
>  <MOL_ID>
molbank-2022-M1412-s003

>  <DOI>
10.3390/M1412

$$$$

File : molbank-2022-M1412-s003-mod.mol

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    0.6292   -4.8332   -0.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1945    0.8318   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <MOL_ID>
molbank-2022-M1412-s003-mod

>  <DOI>
10.3390/M1412

$$$$

File : molbank-2022-M1412-s002.mol

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molbank-2022-M1412-s002

>  <DOI>
10.3390/M1412

$$$$

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molbank-2022-M1412-s002-mod

>  <DOI>
10.3390/M1412

$$$$

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>  <MOL_ID>
molbank-2022-M1411-s003

>  <DOI>
10.3390/M1411

$$$$

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molbank-2022-M1411-s003-mod

>  <DOI>
10.3390/M1411

$$$$

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>  <MOL_ID>
molbank-2022-M1411-s002

>  <DOI>
10.3390/M1411

$$$$

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>  <MOL_ID>
molbank-2022-M1411-s002-mod

>  <DOI>
10.3390/M1411

$$$$

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Me
G    2  3
Me
M  STY  2   1 SUP   2 SUP
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M  SMT   1 Me
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M  SAL   2  1   2
M  SBL   2  1   1
M  SMT   2 Me
M  SBV   2   1   -0.6088   -0.4870
M  END
>  <MOL_ID>
molbank-2022-M1410-s002

>  <DOI>
10.3390/M1410

$$$$

File : molbank-2022-M1410-s002-mod.mol

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G    1 29
Me
G    2  3
Me
M  STY  2   1 SUP   2 SUP
M  SLB  2   1   1   2   2
M  SAL   1  1   1
M  SBL   1  1  32
M  SMT   1 Me
M  SBV   1  32    0.5572   -0.5420
M  SAL   2  1   2
M  SBL   2  1   1
M  SMT   2 Me
M  SBV   2   1   -0.6088   -0.4870
M  END
>  <MOL_ID>
molbank-2022-M1410-s002-mod

>  <DOI>
10.3390/M1410

$$$$

File : molbank-2022-M1409-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 47 49 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.199750 1.782451 0.000000 0
M  V30 2 N -2.448636 0.995889 0.000000 0 CHG=1
M  V30 3 C -1.777480 0.516122 0.000000 0
M  V30 4 N -1.113797 1.006174 0.000000 0
M  V30 5 C -1.374774 1.788807 0.000000 0
M  V30 6 C -0.399326 0.593674 0.000000 0
M  V30 7 C 0.312664 1.004741 0.000000 0
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M  V30 11 C -5.299078 0.994457 0.000000 0
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M  V30 15 F 1.438202 -0.119750 0.000000 0
M  V30 16 C 1.739126 1.003308 0.000000 0
M  V30 17 F 2.150194 1.715298 0.000000 0
M  V30 18 F 1.328058 1.715299 0.000000 0
M  V30 19 C 2.451116 0.592240 0.000000 0
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M  V30 21 F 2.862183 -0.119751 0.000000 0
M  V30 22 C 3.163106 1.003307 0.000000 0
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M  V30 24 F 2.752039 1.715298 0.000000 0
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M  V30 28 F 5.299078 1.414374 0.000000 0
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M  V30 40 C 3.052216 -1.824010 0.000000 0
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M  V30 47 O -1.936678 0.234192 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 29 30
M  V30 2 1 29 31
M  V30 3 1 28 29
M  V30 4 1 25 26
M  V30 5 1 25 27
M  V30 6 1 25 29
M  V30 7 1 22 23
M  V30 8 1 22 24
M  V30 9 1 22 25
M  V30 10 1 19 20
M  V30 11 1 19 21
M  V30 12 1 19 22
M  V30 13 1 16 17
M  V30 14 1 16 18
M  V30 15 1 16 19
M  V30 16 1 13 14
M  V30 17 1 13 15
M  V30 18 1 13 16
M  V30 19 1 7 13
M  V30 20 1 1 2
M  V30 21 4 2 3
M  V30 22 4 3 4
M  V30 23 1 4 5
M  V30 24 2 5 1
M  V30 25 1 4 6
M  V30 26 1 6 7
M  V30 27 1 2 8
M  V30 28 1 8 9
M  V30 29 1 9 10
M  V30 30 1 10 11
M  V30 31 1 11 12
M  V30 32 1 12 10
M  V30 33 2 44 45
M  V30 34 2 44 46
M  V30 35 1 44 47
M  V30 36 1 32 44
M  V30 37 2 32 33
M  V30 38 1 33 34
M  V30 39 2 34 35
M  V30 40 1 35 36
M  V30 41 2 36 37
M  V30 42 1 37 32
M  V30 43 1 35 38
M  V30 44 1 38 39
M  V30 45 1 39 40
M  V30 46 1 40 41
M  V30 47 1 41 42
M  V30 48 1 42 43
M  V30 49 1 43 41
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(19 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 -
M  V30 30 31) XBONDS=(1 19) LABEL="(CF2)5-CF3" CSTATE=(4 19 -0.714470 -
M  V30 0.412500 0)
M  V30 2 SUP 2 ATOMS=(4 44 45 46 47) XBONDS=(1 36) LABEL=SO3 CSTATE=(4 36 -
M  V30 0.711990 -0.411067 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1409-s002

>  <DOI>
10.3390/M1409

$$$$

File : molbank-2022-M1409-s002-mod.mol

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M  V30 COUNTS 47 49 2 0 0
M  V30 BEGIN ATOM
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M  V30 38 O 1.628236 -1.824010 0.000000 0
M  V30 39 C 2.340226 -1.412942 0.000000 0
M  V30 40 C 3.052216 -1.824010 0.000000 0
M  V30 41 C 3.764207 -1.412942 0.000000 0
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M  V30 46 O -0.813620 0.535115 0.000000 0
M  V30 47 O -1.936678 0.234192 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 29 30
M  V30 2 1 29 31
M  V30 3 1 28 29
M  V30 4 1 25 26
M  V30 5 1 25 27
M  V30 6 1 25 29
M  V30 7 1 22 23
M  V30 8 1 22 24
M  V30 9 1 22 25
M  V30 10 1 19 20
M  V30 11 1 19 21
M  V30 12 1 19 22
M  V30 13 1 16 17
M  V30 14 1 16 18
M  V30 15 1 16 19
M  V30 16 1 13 14
M  V30 17 1 13 15
M  V30 18 1 13 16
M  V30 19 1 7 13
M  V30 20 1 1 2
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M  V30 22 4 3 4
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M  V30 24 2 5 1
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M  V30 27 1 2 8
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M  V30 29 1 9 10
M  V30 30 1 10 11
M  V30 31 1 11 12
M  V30 32 1 12 10
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M  V30 46 1 40 41
M  V30 47 1 41 42
M  V30 48 1 42 43
M  V30 49 1 43 41
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(19 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 -
M  V30 30 31) XBONDS=(1 19) LABEL="(CF2)5-CF3" CSTATE=(4 19 -0.714470 -
M  V30 0.412500 0)
M  V30 2 SUP 2 ATOMS=(4 44 45 46 47) XBONDS=(1 36) LABEL=SO3 CSTATE=(4 36 -
M  V30 0.711990 -0.411067 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1409-s002-mod

>  <DOI>
10.3390/M1409

$$$$

File : molbank-2022-M1408-s003.mol

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25
M  END
>  <MOL_ID>
molbank-2022-M1408-s003

>  <DOI>
10.3390/M1408

$$$$

File : molbank-2022-M1408-s003-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1408-s003-mod

>  <DOI>
10.3390/M1408

$$$$

File : molbank-2022-M1408-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1408-s002

>  <DOI>
10.3390/M1408

$$$$

File : molbank-2022-M1408-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1408-s002-mod

>  <DOI>
10.3390/M1408

$$$$

File : molbank-2022-M1407-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 45 49 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C 20.583385 -6.297293 0.000000 0 HCOUNT=1
M  V30 3 C 21.259078 -6.687386 0.000000 0 HCOUNT=1
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M  V30 6 C 21.259078 -5.127012 0.000000 0 HCOUNT=1
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M  V30 8 O 23.135282 -5.907199 0.000000 0
M  V30 9 C 22.676652 -6.538390 0.000000 0
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M  V30 11 N 23.352346 -4.885914 0.000000 0 HCOUNT=1
M  V30 12 C 24.028038 -5.276008 0.000000 0
M  V30 13 C 24.028038 -6.056195 0.000000 0 HCOUNT=1
M  V30 14 C 24.703638 -6.446289 0.000000 0 HCOUNT=1
M  V30 15 C 25.379331 -6.056195 0.000000 0
M  V30 16 C 25.379331 -5.276008 0.000000 0 HCOUNT=1
M  V30 17 C 24.703638 -4.885914 0.000000 0 HCOUNT=1
M  V30 18 C 26.054929 -6.446289 0.000000 0
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M  V30 28 C 9.898498 -6.031298 0.000000 0
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M  V30 30 C 10.574192 -5.641203 0.000000 0
M  V30 31 C 11.249883 -6.031298 0.000000 0
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M  V30 37 C 11.249883 -4.470923 0.000000 0
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M  V30 39 C 12.601176 -4.470923 0.000000 0 HCOUNT=1
M  V30 40 C 12.603335 -3.690736 0.000000 0
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 6 1 6 1
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M  V30 33 2 31 30
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1407-s002

>  <DOI>
10.3390/M1407

$$$$

File : molbank-2022-M1407-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 45 49 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C  -3.389008 6.940101 3.795099 0 HCOUNT=1
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M  V30 17 C  0.742917 6.365020 -1.806125 0 HCOUNT=1
M  V30 18 C  3.966303 5.628783 -3.565724 0
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M  V30 23 N  -2.730947 4.871400 -1.195410 0 HCOUNT=2
M  V30 24 C  15.924536 19.866944 8.807152 0 HCOUNT=1
M  V30 25 C  16.015022 21.253729 8.795099 0 HCOUNT=1
M  V30 26 C  14.911099 22.033597 9.010717 0 HCOUNT=1
M  V30 27 C  13.682860 21.423383 9.244805 0
M  V30 28 C  13.588336 20.006886 9.256667 0
M  V30 29 C  14.731095 19.239491 9.037145 0 HCOUNT=1
M  V30 30 C  12.271186 19.422951 9.512600 0
M  V30 31 C  11.178701 20.234287 9.466652 0
M  V30 32 O  11.281039 21.545220 9.166203 0
M  V30 33 C  12.443408 22.174021 9.477946 0
M  V30 34 O  12.459317 23.309315 9.917460 0
M  V30 35 N  9.930031 19.699713 9.735844 0 HCOUNT=2
M  V30 36 N  12.136538 18.051833 9.800601 0 HCOUNT=1
M  V30 37 C  12.785740 17.506350 10.900164 0
M  V30 38 C  12.782104 16.126941 11.095845 0 HCOUNT=1
M  V30 39 C  13.420577 15.587233 12.176018 0 HCOUNT=1
M  V30 40 C  14.078248 16.421204 13.086619 0
M  V30 41 C  14.079685 17.805981 12.887570 0 HCOUNT=1
M  V30 42 C  13.444286 18.339124 11.802317 0 HCOUNT=1
M  V30 43 C  14.768320 15.842302 14.252531 0
M  V30 44 O  15.401449 16.646992 15.128886 0 HCOUNT=1
M  V30 45 O  14.766623 14.639202 14.424010 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 10 1 4 9
M  V30 5 2 5 6
M  V30 7 1 7 5
M  V30 8 1 8 7
M  V30 12 1 7 11
M  V30 23 1 7 21
M  V30 9 1 9 8
M  V30 11 2 9 10
M  V30 13 1 11 12
M  V30 14 2 12 13
M  V30 19 1 17 12
M  V30 15 1 13 14
M  V30 16 2 14 15
M  V30 17 1 15 16
M  V30 20 1 15 18
M  V30 18 2 16 17
M  V30 21 2 18 19
M  V30 22 1 18 20
M  V30 24 2 21 22
M  V30 25 1 21 23
M  V30 26 2 24 25
M  V30 31 1 29 24
M  V30 27 1 25 26
M  V30 28 2 26 27
M  V30 29 1 27 28
M  V30 36 1 27 33
M  V30 30 2 28 29
M  V30 32 1 30 28
M  V30 33 2 31 30
M  V30 39 1 30 36
M  V30 34 1 32 31
M  V30 38 1 31 35
M  V30 35 1 33 32
M  V30 37 2 33 34
M  V30 40 1 36 37
M  V30 41 2 37 38
M  V30 46 1 42 37
M  V30 42 1 38 39
M  V30 43 2 39 40
M  V30 44 1 40 41
M  V30 47 1 40 43
M  V30 45 2 41 42
M  V30 48 1 43 44
M  V30 49 2 43 45
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1407-s002-mod

>  <DOI>
10.3390/M1407

$$$$

File : molbank-2022-M1406-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1406-s002

>  <DOI>
10.3390/M1406

$$$$

File : molbank-2022-M1406-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1406-s002-mod

>  <DOI>
10.3390/M1406

$$$$

File : molbank-2022-M1404-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1404-s002

>  <DOI>
10.3390/M1404

$$$$

File : molbank-2022-M1404-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1404-s002-mod

>  <DOI>
10.3390/M1404

$$$$

File : molbank-2022-M1403-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 34 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C 0.513315 -0.973496 0.000000 0
M  V30 3 N 0.998238 -0.306056 0.000000 0
M  V30 4 C -0.854670 -1.301920 0.000000 0
M  V30 5 C 1.823238 -0.306056 0.000000 0
M  V30 6 C -1.679670 -1.301920 0.000000 0
M  V30 7 C -2.092170 -2.016391 0.000000 0
M  V30 8 N -1.679670 -2.730861 0.000000 0
M  V30 9 C -0.854670 -2.730861 0.000000 0
M  V30 10 N -0.442170 -2.016391 0.000000 0
M  V30 11 N 2.036763 -1.102945 0.000000 0
M  V30 12 C 2.833652 -1.316471 0.000000 0
M  V30 13 N 3.417015 -0.733108 0.000000 0
M  V30 14 C 3.203490 0.063781 0.000000 0
M  V30 15 C 2.406601 0.277306 0.000000 0
M  V30 16 C -2.231703 -0.688825 0.000000 0
M  V30 17 C -2.985377 -1.024383 0.000000 0
M  V30 18 S -2.899142 -1.844863 0.000000 0
M  V30 19 S 3.652817 0.755684 0.000000 0
M  V30 20 C 3.133627 1.396830 0.000000 0
M  V30 21 C 2.363424 1.101176 0.000000 0
M  V30 22 C -2.145467 0.131655 0.000000 0
M  V30 23 C -2.812906 0.616578 0.000000 0
M  V30 24 C -3.566581 0.281020 0.000000 0
M  V30 25 C -3.652817 -0.539460 0.000000 0
M  V30 26 C 3.262686 2.211672 0.000000 0
M  V30 27 C 2.621540 2.730861 0.000000 0
M  V30 28 C 1.851336 2.435208 0.000000 0
M  V30 29 C 1.722278 1.620365 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 1 4
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 10 4
M  V30 11 2 5 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 5
M  V30 17 1 6 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 1 18 7
M  V30 21 1 14 19
M  V30 22 1 19 20
M  V30 23 2 20 21
M  V30 24 1 21 15
M  V30 25 1 16 22
M  V30 26 1 22 23
M  V30 27 1 23 24
M  V30 28 1 24 25
M  V30 29 1 25 17
M  V30 30 1 20 26
M  V30 31 1 26 27
M  V30 32 1 27 28
M  V30 33 1 28 29
M  V30 34 1 29 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1403-s003

>  <DOI>
10.3390/M1403

$$$$

File : molbank-2022-M1403-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 34 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C  0.061421 0.163236 0.100063 0
M  V30 3 N  0.212204 -0.351825 -1.263096 0
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M  V30 7 C  -2.365046 4.386944 0.041202 0
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M  V30 9 C  -3.419954 2.340983 -0.135972 0
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M  V30 15 C  1.642750 -1.085765 -3.090824 0
M  V30 16 C  -0.016324 4.676945 0.223506 0
M  V30 17 C  -0.386715 5.957815 0.260888 0
M  V30 18 S  -2.130942 6.123356 0.144970 0
M  V30 19 S  2.907834 -1.862820 -5.202107 0
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M  V30 21 C  0.661642 -1.194432 -4.163952 0
M  V30 22 C  1.434689 4.221100 0.306801 0
M  V30 23 C  2.345230 5.411760 0.001638 0
M  V30 24 C  1.928565 6.598059 0.876473 0
M  V30 25 C  0.577117 7.124766 0.388037 0
M  V30 26 C  0.372123 -1.781290 -6.601749 0
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M  V30 28 C  -1.467311 -0.678054 -5.333186 0
M  V30 29 C  -0.816096 -0.883548 -3.964420 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 3 1 1 4
M  V30 2 1 2 3
M  V30 4 1 3 5
M  V30 5 2 4 6
M  V30 10 1 10 4
M  V30 11 2 5 11
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M  V30 6 1 6 7
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M  V30 7 2 7 8
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M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 21 1 14 19
M  V30 24 1 21 15
M  V30 18 2 16 17
M  V30 25 1 16 22
M  V30 19 1 17 18
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M  V30 22 1 19 20
M  V30 23 2 20 21
M  V30 30 1 20 26
M  V30 34 1 29 21
M  V30 26 1 22 23
M  V30 27 1 23 24
M  V30 28 1 24 25
M  V30 31 1 26 27
M  V30 32 1 27 28
M  V30 33 1 28 29
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1403-s003-mod

>  <DOI>
10.3390/M1403

$$$$

File : molbank-2022-M1403-s002.mol

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>  <MOL_ID>
molbank-2022-M1403-s002

>  <DOI>
10.3390/M1403

$$$$

File : molbank-2022-M1403-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1403-s002-mod

>  <DOI>
10.3390/M1403

$$$$

File : molbank-2022-M1402-s003.mol

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M  CHG  2  12   1  95  -1
M  END
>  <MOL_ID>
molbank-2022-M1402-s003

>  <DOI>
10.3390/M1402

$$$$

File : molbank-2022-M1402-s003-mod.mol

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M  CHG  2  12   1  95  -1
M  END
>  <MOL_ID>
molbank-2022-M1402-s003-mod

>  <DOI>
10.3390/M1402

$$$$

File : molbank-2022-M1402-s002.mol

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>  <MOL_ID>
molbank-2022-M1402-s002

>  <DOI>
10.3390/M1402

$$$$

File : molbank-2022-M1402-s002-mod.mol

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M  CHG  2  12   1  53  -1
M  END
>  <MOL_ID>
molbank-2022-M1402-s002-mod

>  <DOI>
10.3390/M1402

$$$$

File : molbank-2022-M1401-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1401-s002

>  <DOI>
10.3390/M1401

$$$$

File : molbank-2022-M1401-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1401-s002-mod

>  <DOI>
10.3390/M1401

$$$$

File : molbank-2022-M1400-s002.mol

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>  <MOL_ID>
molbank-2022-M1400-s002

>  <DOI>
10.3390/M1400

$$$$

File : molbank-2022-M1400-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1400-s002-mod

>  <DOI>
10.3390/M1400

$$$$

File : molbank-2022-M1399-s002.mol

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>  <MOL_ID>
molbank-2022-M1399-s002

>  <DOI>
10.3390/M1399

$$$$

File : molbank-2022-M1399-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1399-s002-mod

>  <DOI>
10.3390/M1399

$$$$

File : molbank-2022-M1398-s002.mol

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>  <MOL_ID>
molbank-2022-M1398-s002

>  <DOI>
10.3390/M1398

$$$$

File : molbank-2022-M1398-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1398-s002-mod

>  <DOI>
10.3390/M1398

$$$$

File : molbank-2022-M1397-s002.mol

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 44 46  2  0
 40 47  1  0
 47 48  2  0
 34107  1  0
 49 50  2  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 49  1  0
 53 55  1  0
 55 56  1  0
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 57 58  1  0
 58 59  2  0
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 57 60  1  0
 60 61  1  0
 60 62  2  0
 56 63  1  0
 63108  1  0
 63111  1  0
 50116  1  0
 64 65  2  0
 65 66  1  0
 66 67  2  0
 67 68  1  0
 68 69  2  0
 69 64  1  0
 68 70  1  0
 70 71  1  0
 71 72  2  0
 72 73  1  0
 73 74  2  0
 74 70  1  0
 72 75  1  0
 75 76  2  0
 77 75  1  0
 78 77  1  0
 71 78  1  0
 78 79  1  0
 65119  1  0
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 84 86  1  0
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 91 92  1  0
 90 91  1  0
 94 95  1  0
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 97 98  1  0
 96 98  1  0
100101  1  0
 99101  1  0
103104  1  0
102103  1  0
106107  1  0
105106  1  0
109110  1  0
108110  1  0
112113  1  0
111113  1  0
115116  1  0
114115  1  0
118119  1  0
117118  1  0
M  CHG  2  17   1  18  -1
A    1
conc. HCl
A    2
4 equiv. K2CO3
A    9
aprox. 7 h, 89%
A   80
1 equiv. 10% aq. NaOH
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  81  82  83
M  SBL   1  1   4
M  SMT   1 ^OEt
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  84  85  86
M  SBL   2  1   7
M  SMT   2 ^OEt
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  87  88  89
M  SBL   3  1   8
M  SMT   3 ^OEt
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  3  90  91  92
M  SBL   4  1  18
M  SMT   4 ^EtO
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  3  93  94  95
M  SBL   5  1  32
M  SMT   5 ^OEt
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  3  96  97  98
M  SBL   6  1  35
M  SMT   6 ^OEt
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  3  99 100 101
M  SBL   7  1  36
M  SMT   7 ^OEt
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  3 102 103 104
M  SBL   8  1  37
M  SMT   8 ^EtO
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  3 105 106 107
M  SBL   9  1  55
M  SMT   9 ^EtO
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  3 108 109 110
M  SBL  10  1  72
M  SMT  10 ^OEt
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  3 111 112 113
M  SBL  11  1  73
M  SMT  11 ^OEt
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  3 114 115 116
M  SBL  12  1  74
M  SMT  12 ^EtO
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  3 117 118 119
M  SBL  13  1  93
M  SMT  13 ^EtO
M  END
>  <MOL_ID>
molbank-2022-M1397-s002

>  <DOI>
10.3390/M1397

$$$$

File : molbank-2022-M1397-s002-mod.mol

119119  0  0  0  0  0  0  0  0999 V2000
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100101  1  0
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103104  1  0
102103  1  0
106107  1  0
105106  1  0
109110  1  0
108110  1  0
112113  1  0
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115116  1  0
114115  1  0
118119  1  0
117118  1  0
M  CHG  2  17   1  18  -1
A    1
conc. HCl
A    2
4 equiv. K2CO3
A    9
aprox. 7 h, 89%
A   80
1 equiv. 10% aq. NaOH
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  81  82  83
M  SBL   1  1   4
M  SMT   1 ^OEt
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  84  85  86
M  SBL   2  1   7
M  SMT   2 ^OEt
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  87  88  89
M  SBL   3  1   8
M  SMT   3 ^OEt
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  3  90  91  92
M  SBL   4  1  18
M  SMT   4 ^EtO
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  3  93  94  95
M  SBL   5  1  32
M  SMT   5 ^OEt
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  3  96  97  98
M  SBL   6  1  35
M  SMT   6 ^OEt
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  3  99 100 101
M  SBL   7  1  36
M  SMT   7 ^OEt
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  3 102 103 104
M  SBL   8  1  37
M  SMT   8 ^EtO
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  3 105 106 107
M  SBL   9  1  55
M  SMT   9 ^EtO
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  3 108 109 110
M  SBL  10  1  72
M  SMT  10 ^OEt
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  3 111 112 113
M  SBL  11  1  73
M  SMT  11 ^OEt
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  3 114 115 116
M  SBL  12  1  74
M  SMT  12 ^EtO
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  3 117 118 119
M  SBL  13  1  93
M  SMT  13 ^EtO
M  END
>  <MOL_ID>
molbank-2022-M1397-s002-mod

>  <DOI>
10.3390/M1397

$$$$

File : molbank-2022-M1396-s002.mol

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M  CHG  4  25   1  26   1 174  -1 175  -1
M  END
>  <MOL_ID>
molbank-2022-M1396-s002

>  <DOI>
10.3390/M1396

$$$$

File : molbank-2022-M1396-s002-mod.mol

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molbank-2022-M1394-s002-mod

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M  END
>  <MOL_ID>
molbank-2022-M1393-s004

>  <DOI>
10.3390/M1393

$$$$

File : molbank-2022-M1393-s004-mod.mol

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>  <MOL_ID>
molbank-2022-M1393-s004-mod

>  <DOI>
10.3390/M1393

$$$$

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>  <MOL_ID>
molbank-2022-M1393-s003

>  <DOI>
10.3390/M1393

$$$$

File : molbank-2022-M1393-s003-mod.mol

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>  <MOL_ID>
molbank-2022-M1393-s003-mod

>  <DOI>
10.3390/M1393

$$$$

File : molbank-2022-M1393-s002.mol

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>  <MOL_ID>
molbank-2022-M1393-s002

>  <DOI>
10.3390/M1393

$$$$

File : molbank-2022-M1393-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1393-s002-mod

>  <DOI>
10.3390/M1393

$$$$

File : molbank-2022-M1392-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1392-s002

>  <DOI>
10.3390/M1392

$$$$

File : molbank-2022-M1392-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1392-s002-mod

>  <DOI>
10.3390/M1392

$$$$

File : molbank-2022-M1391-s002.mol

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>  <MOL_ID>
molbank-2022-M1391-s002

>  <DOI>
10.3390/M1391

$$$$

File : molbank-2022-M1391-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1391-s002-mod

>  <DOI>
10.3390/M1391

$$$$

File : molbank-2022-M1389-s003.mol

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>  <MOL_ID>
molbank-2022-M1389-s003

>  <DOI>
10.3390/M1389

$$$$

File : molbank-2022-M1389-s003-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1389-s003-mod

>  <DOI>
10.3390/M1389

$$$$

File : molbank-2022-M1389-s002.mol

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>  <MOL_ID>
molbank-2022-M1389-s002

>  <DOI>
10.3390/M1389

$$$$

File : molbank-2022-M1389-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1389-s002-mod

>  <DOI>
10.3390/M1389

$$$$

File : molbank-2022-M1388-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1388-s002

>  <DOI>
10.3390/M1388

$$$$

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>  <MOL_ID>
molbank-2022-M1388-s002-mod

>  <DOI>
10.3390/M1388

$$$$

File : molbank-2022-M1387-s002.mol

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>  <MOL_ID>
molbank-2022-M1387-s002

>  <DOI>
10.3390/M1387

$$$$

File : molbank-2022-M1387-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1387-s002-mod

>  <DOI>
10.3390/M1387

$$$$

File : molbank-2022-M1386-s002.mol

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>  <MOL_ID>
molbank-2022-M1386-s002

>  <DOI>
10.3390/M1386

$$$$

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>  <MOL_ID>
molbank-2022-M1386-s002-mod

>  <DOI>
10.3390/M1386

$$$$

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>  <MOL_ID>
molbank-2022-M1385-s002

>  <DOI>
10.3390/M1385

$$$$

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>  <MOL_ID>
molbank-2022-M1385-s002-mod

>  <DOI>
10.3390/M1385

$$$$

File : molbank-2022-M1384-s002.mol

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>  <MOL_ID>
molbank-2022-M1384-s002

>  <DOI>
10.3390/M1384

$$$$

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>  <MOL_ID>
molbank-2022-M1384-s002-mod

>  <DOI>
10.3390/M1384

$$$$

File : molbank-2022-M1383-s002.mol

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>  <MOL_ID>
molbank-2022-M1383-s002

>  <DOI>
10.3390/M1383

$$$$

File : molbank-2022-M1383-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1383-s002-mod

>  <DOI>
10.3390/M1383

$$$$

File : molbank-2022-M1382-s002.mol

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>  <MOL_ID>
molbank-2022-M1382-s002

>  <DOI>
10.3390/M1382

$$$$

File : molbank-2022-M1382-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1382-s002-mod

>  <DOI>
10.3390/M1382

$$$$

File : molbank-2022-M1381-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1381-s002

>  <DOI>
10.3390/M1381

$$$$

File : molbank-2022-M1381-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1381-s002-mod

>  <DOI>
10.3390/M1381

$$$$

File : molbank-2022-M1380-s002.mol

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>  <MOL_ID>
molbank-2022-M1380-s002

>  <DOI>
10.3390/M1380

$$$$

File : molbank-2022-M1380-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1380-s002-mod

>  <DOI>
10.3390/M1380

$$$$

File : molbank-2022-M1378-s002.mol

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>  <MOL_ID>
molbank-2022-M1378-s002

>  <DOI>
10.3390/M1378

$$$$

File : molbank-2022-M1378-s002-mod.mol

 26 27  0  0  0  0  0  0  0  0999 V2000
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>  <MOL_ID>
molbank-2022-M1378-s002-mod

>  <DOI>
10.3390/M1378

$$$$

File : molbank-2022-M1377-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 12 13 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.715711 -0.222272 0.000000 0
M  V30 2 N -0.715711 -1.047272 0.000000 0
M  V30 3 S -0.001240 -1.459772 0.000000 0
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M  V30 11 S -0.668679 0.675151 0.000000 0
M  V30 12 Cl 1.427702 0.190228 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
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M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 11 6
M  V30 13 1 5 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1377-s002

>  <DOI>
10.3390/M1377

$$$$

File : molbank-2022-M1377-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 12 13 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  1.821389 2.123624 1.396493 0
M  V30 2 N  2.578586 3.054261 1.793265 0
M  V30 3 S  3.108095 4.270617 0.815253 0
M  V30 4 N  2.041503 4.279074 -0.441209 0
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M  V30 11 S  2.320720 0.769997 -0.914021 0
M  V30 12 Cl 0.233707 3.458720 -2.090127 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
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M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
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M  V30 8 1 6 8
M  V30 12 1 11 6
M  V30 9 1 8 9
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M  V30 11 1 10 11
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1377-s002-mod

>  <DOI>
10.3390/M1377

$$$$

File : molbank-2022-M1376-s002.mol

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>  <MOL_ID>
molbank-2022-M1376-s002

>  <DOI>
10.3390/M1376

$$$$

File : molbank-2022-M1376-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1376-s002-mod

>  <DOI>
10.3390/M1376

$$$$

File : molbank-2022-M1375-s002.mol

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>  <MOL_ID>
molbank-2022-M1375-s002

>  <DOI>
10.3390/M1375

$$$$

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>  <MOL_ID>
molbank-2022-M1375-s002-mod

>  <DOI>
10.3390/M1375

$$$$

File : molbank-2022-M1374-s002.mol

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>  <MOL_ID>
molbank-2022-M1374-s002

>  <DOI>
10.3390/M1374

$$$$

File : molbank-2022-M1374-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1374-s002-mod

>  <DOI>
10.3390/M1374

$$$$

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>  <MOL_ID>
molbank-2022-M1373-s003

>  <DOI>
10.3390/M1373

$$$$

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>  <MOL_ID>
molbank-2022-M1373-s003-mod

>  <DOI>
10.3390/M1373

$$$$

File : molbank-2022-M1373-s002.mol

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>  <MOL_ID>
molbank-2022-M1373-s002

>  <DOI>
10.3390/M1373

$$$$

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>  <MOL_ID>
molbank-2022-M1373-s002-mod

>  <DOI>
10.3390/M1373

$$$$

File : molbank-2022-M1372-s002.mol

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>  <MOL_ID>
molbank-2022-M1372-s002

>  <DOI>
10.3390/M1372

$$$$

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>  <MOL_ID>
molbank-2022-M1372-s002-mod

>  <DOI>
10.3390/M1372

$$$$

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>  <MOL_ID>
molbank-2022-M1371-s002

>  <DOI>
10.3390/M1371

$$$$

File : molbank-2022-M1371-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1371-s002-mod

>  <DOI>
10.3390/M1371

$$$$

File : molbank-2022-M1370-s002.mol

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>  <MOL_ID>
molbank-2022-M1370-s002

>  <DOI>
10.3390/M1370

$$$$

File : molbank-2022-M1370-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1370-s002-mod

>  <DOI>
10.3390/M1370

$$$$

File : molbank-2022-M1369-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1369-s002

>  <DOI>
10.3390/M1369

$$$$

File : molbank-2022-M1369-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1369-s002-mod

>  <DOI>
10.3390/M1369

$$$$

File : molbank-2022-M1368-s002.mol

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>  <MOL_ID>
molbank-2022-M1368-s002

>  <DOI>
10.3390/M1368

$$$$

File : molbank-2022-M1368-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1368-s002-mod

>  <DOI>
10.3390/M1368

$$$$

File : molbank-2022-M1367-s001.mol

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>  <MOL_ID>
molbank-2022-M1367-s001

>  <DOI>
10.3390/M1367

$$$$

File : molbank-2022-M1367-s001-mod.mol

 51 54  0  0  0  0  0  0  0  0999 V2000
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   -3.1508    7.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0686    5.4722    0.0000 Mn  0  6  0  0  0  0  0  0  0  0  0  0
    2.6935    7.5588    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    3.2149    5.1453    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    2.5005    4.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8537    6.2326    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    2.9549    2.0310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3521    0.8126    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7423    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    2.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    2.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6130   -1.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4174   -1.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0624   -1.0440    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0228    0.4678    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7405    2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3060    0.3716    0.0000 Mn  0  6  0  0  0  0  0  0  0  0  0  0
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   -2.6430   -4.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2264   -4.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0514   -4.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7423   -6.4662    0.0000 Mn  0  6  0  0  0  0  0  0  0  0  0  0
    2.7181   -4.2387    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1264   -5.6471    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7098   -5.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7098   -4.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1264   -3.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014   -3.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265   -5.8021    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    2.5697   -7.3879    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1613   -5.9796    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5780   -6.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5780   -7.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1613   -7.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9863   -7.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  1  1  0
  1  5  1  0
  2  5  1  0
  7  8  1  0
  8  9  1  0
  9  6  1  0
 11 12  1  0
 12 13  1  0
 13 10  1  0
  6 14  1  0
  7 14  1  0
 10 14  1  0
 11 14  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 15 25  1  0
 16 25  1  0
 20 25  1  0
 24 25  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 26  1  0
 26 31  1  0
 27 31  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
 32 38  1  0
 33 38  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 39  1  0
 39 45  1  0
 40 45  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 46  1  0
 46 45  1  0
 47 45  1  0
M  CHG  8   1   1   2   1   5  -2   6   1   7   1  10   1  11   1  14  -4
M  CHG  8  15   1  16   1  20   1  24   1  25  -4  26   1  27   1  31  -2
M  CHG  8  32   1  33   1  38  -2  39   1  40   1  45  -4  46   1  47   1
M  END
>  <MOL_ID>
molbank-2022-M1367-s001-mod

>  <DOI>
10.3390/M1367

$$$$

File : molbank-2022-M1366-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.714471 0.148930 0.000000 0
M  V30 2 P -0.000000 -0.263570 0.000000 0
M  V30 3 C 0.583363 0.319793 0.000000 0
M  V30 4 C 0.714471 -0.676070 0.000000 0
M  V30 5 Ni -0.412500 -0.978041 0.000000 0
M  V30 6 Br -0.000000 -1.692512 0.000000 0
M  V30 7 Br -1.126971 -1.390541 0.000000 0
M  V30 8 Br -1.237500 -0.978041 0.000000 0
M  V30 9 C 0.714471 -1.501070 0.000000 0
M  V30 10 C 1.428942 -1.913570 0.000000 0
M  V30 11 C 2.143413 -1.501070 0.000000 0
M  V30 12 C 2.143413 -0.676070 0.000000 0
M  V30 13 C 1.428942 -0.263570 0.000000 0
M  V30 14 C -0.714471 0.973930 0.000000 0
M  V30 15 C -1.428942 1.386430 0.000000 0
M  V30 16 C -2.143413 0.973930 0.000000 0
M  V30 17 C -2.143413 0.148930 0.000000 0
M  V30 18 C -1.428942 -0.263570 0.000000 0
M  V30 19 C 1.380252 0.533319 0.000000 0
M  V30 20 C 1.593777 1.330207 0.000000 0
M  V30 21 C 1.010415 1.913570 0.000000 0
M  V30 22 C 0.213526 1.700045 0.000000 0
M  V30 23 C -0.000000 0.903156 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 2 4 9
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 13 1 13 4
M  V30 14 2 1 14
M  V30 15 1 14 15
M  V30 16 2 15 16
M  V30 17 1 16 17
M  V30 18 2 17 18
M  V30 19 1 18 1
M  V30 20 2 3 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 25 1 23 3
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1366-s002

>  <DOI>
10.3390/M1366

$$$$

File : molbank-2022-M1366-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  0.246187 1.484855 -1.102708 0
M  V30 2 P  0.002075 -0.004068 0.002017 0
M  V30 3 C  -1.226167 0.960474 1.030599 0
M  V30 4 C  -0.242036 -1.492991 1.106742 0
M  V30 5 Ni -0.802455 -1.363224 -2.007600 0
M  V30 6 Br 1.232473 -2.533282 -3.134918 0
M  V30 7 Br -2.507289 -3.163415 -1.211565 0
M  V30 8 Br -1.952189 0.222344 -3.723671 0
M  V30 9 C  0.852979 -2.130862 1.658974 0
M  V30 10 C  0.672529 -3.231533 2.475573 0
M  V30 11 C  -0.602961 -3.694065 2.740311 0
M  V30 12 C  -1.698024 -3.055643 2.188811 0
M  V30 13 C  -1.517794 -1.952339 1.375702 0
M  V30 14 C  0.869019 1.341379 -2.328429 0
M  V30 15 C  1.049513 2.442030 -3.145044 0
M  V30 16 C  0.606769 3.686085 -2.736142 0
M  V30 17 C  -0.016876 3.829403 -1.510816 0
M  V30 18 C  -0.201286 2.727973 -0.696105 0
M  V30 19 C  -2.461378 1.289032 0.504101 0
M  V30 20 C  -3.369302 2.002081 1.264434 0
M  V30 21 C  -3.042195 2.386184 2.551432 0
M  V30 22 C  -1.807331 2.056841 3.078253 0
M  V30 23 C  -0.901062 1.340040 2.319449 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 14 2 1 14
M  V30 19 1 18 1
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 1 2 5
M  V30 20 2 3 19
M  V30 25 1 23 3
M  V30 8 2 4 9
M  V30 13 1 13 4
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 9 1 9 10
M  V30 10 2 10 11
M  V30 11 1 11 12
M  V30 12 2 12 13
M  V30 15 1 14 15
M  V30 16 2 15 16
M  V30 17 1 16 17
M  V30 18 2 17 18
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1366-s002-mod

>  <DOI>
10.3390/M1366

$$$$

File : molbank-2022-M1365-s002.mol

 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.7157   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4277   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7132   -1.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1422   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8566   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1447   -1.8548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4277    1.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1397    0.6216    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1447   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  2  0
 18 20  1  0
 15 18  1  0
 21 22  3  0
  5 21  1  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  1  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  7 15  1  0
  6 16  1  0
  4 17  1  0
M  CHG  2  18   1  20  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  18  19  20
M  SBL   1  1   3
M  SMT   1 ^NO2
M  SBV   1   3    0.7145   -0.4125
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1   5
M  SMT   2 CN
M  SBV   2   5   -0.7145   -0.4125
M  END
>  <MOL_ID>
molbank-2022-M1365-s002

>  <DOI>
10.3390/M1365

$$$$

File : molbank-2022-M1365-s002-mod.mol

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.5994    3.1131   -0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5202    1.7310   -0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5519    0.9895   -0.8314 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6860    1.5228   -1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8448    2.9183   -1.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7698    3.7311   -0.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    3.9609   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    3.1538    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    1.7695   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938    1.1069   -0.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491    3.8067    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256    3.0823    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869    1.7000    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270    1.0437    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    4.4894    1.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8756    5.1134   -0.9019 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    0.7010   -1.6494 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7442    3.3697    2.3521 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4258    2.3891    2.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0871    3.4195    3.3764 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0720    3.5019   -1.7435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0455    3.9649   -2.1018 N   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  2  0
 18 20  1  0
 15 18  1  0
 21 22  3  0
  5 21  1  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  1  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  7 15  1  0
  6 16  1  0
  4 17  1  0
M  CHG  2  18   1  20  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  18  19  20
M  SBL   1  1   3
M  SMT   1 ^NO2
M  SBV   1   3    0.7145   -0.4125
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1   5
M  SMT   2 CN
M  SBV   2   5   -0.7145   -0.4125
M  END
>  <MOL_ID>
molbank-2022-M1365-s002-mod

>  <DOI>
10.3390/M1365

$$$$

File : molbank-2022-M1364-s007.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 36 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.872550 0.825000 0.000000 0
M  V30 2 C -2.872550 -0.000000 0.000000 0
M  V30 3 C -2.158078 -0.412501 0.000000 0
M  V30 4 C -1.443606 -0.000000 0.000000 0
M  V30 5 C -1.443606 0.825000 0.000000 0
M  V30 6 C -2.158078 1.237501 0.000000 0
M  V30 7 N -0.729135 -0.412501 0.000000 0
M  V30 8 C -0.014664 -0.000000 0.000000 0
M  V30 9 C -0.014664 0.825000 0.000000 0
M  V30 10 C -0.729135 1.237501 0.000000 0
M  V30 11 N 0.699809 -0.412501 0.000000 0
M  V30 12 C -0.729135 2.062502 0.000000 0
M  V30 13 O -2.158078 2.062502 0.000000 0
M  V30 14 C -3.587021 -0.412501 0.000000 0
M  V30 15 C -2.158078 0.412501 0.000000 0
M  V30 16 C -0.729135 -1.237502 0.000000 0
M  V30 17 C -1.443606 -1.650002 0.000000 0
M  V30 18 C -1.443606 -2.475002 0.000000 0
M  V30 19 C -0.729135 -2.887503 0.000000 0
M  V30 20 C -0.014663 -2.475002 0.000000 0
M  V30 21 C -0.014663 -1.650002 0.000000 0
M  V30 22 C -0.014663 2.475002 0.000000 0
M  V30 23 C -0.014663 3.300003 0.000000 0
M  V30 24 C -0.729135 3.712503 0.000000 0
M  V30 25 C -1.443606 3.300003 0.000000 0
M  V30 26 C -1.443606 2.475002 0.000000 0
M  V30 27 C 1.414280 -0.000000 0.000000 0
M  V30 28 C -0.729135 -3.712503 0.000000 0
M  V30 29 O 2.211169 -0.213526 0.000000 0
M  V30 30 C 3.587021 0.155132 0.000000 0
M  V30 31 C 2.792672 0.367978 0.000000 0
M  V30 32 C 0.699809 1.237502 0.000000 0
M  V30 33 N 1.412001 1.648687 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 1 7 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 16
M  V30 24 2 12 22
M  V30 25 1 22 23
M  V30 26 2 23 24
M  V30 27 1 24 25
M  V30 28 2 25 26
M  V30 29 1 26 12
M  V30 30 2 11 27
M  V30 31 1 19 28
M  V30 32 1 30 31
M  V30 33 1 29 31
M  V30 34 1 27 29
M  V30 35 3 32 33
M  V30 36 1 9 32
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 29 30 31) XBONDS=(1 34) LABEL=OEt CSTATE=(4 34 -
M  V30 -0.796889 0.213525 0)
M  V30 2 SUP 2 ATOMS=(2 32 33) XBONDS=(1 36) LABEL=CN CSTATE=(4 36 -0.714473 -
M  V30 -0.412501 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s007

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s007-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 36 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.872550 0.825000 0.000000 0
M  V30 2 C -2.872550 -0.000000 0.000000 0
M  V30 3 C -2.158078 -0.412501 0.000000 0
M  V30 4 C -1.443606 -0.000000 0.000000 0
M  V30 5 C -1.443606 0.825000 0.000000 0
M  V30 6 C -2.158078 1.237501 0.000000 0
M  V30 7 N -0.729135 -0.412501 0.000000 0
M  V30 8 C -0.014664 -0.000000 0.000000 0
M  V30 9 C -0.014664 0.825000 0.000000 0
M  V30 10 C -0.729135 1.237501 0.000000 0
M  V30 11 N 0.699809 -0.412501 0.000000 0
M  V30 12 C -0.729135 2.062502 0.000000 0
M  V30 13 O -2.158078 2.062502 0.000000 0
M  V30 14 C -3.587021 -0.412501 0.000000 0
M  V30 15 C -2.158078 0.412501 0.000000 0
M  V30 16 C -0.729135 -1.237502 0.000000 0
M  V30 17 C -1.443606 -1.650002 0.000000 0
M  V30 18 C -1.443606 -2.475002 0.000000 0
M  V30 19 C -0.729135 -2.887503 0.000000 0
M  V30 20 C -0.014663 -2.475002 0.000000 0
M  V30 21 C -0.014663 -1.650002 0.000000 0
M  V30 22 C -0.014663 2.475002 0.000000 0
M  V30 23 C -0.014663 3.300003 0.000000 0
M  V30 24 C -0.729135 3.712503 0.000000 0
M  V30 25 C -1.443606 3.300003 0.000000 0
M  V30 26 C -1.443606 2.475002 0.000000 0
M  V30 27 C 1.414280 -0.000000 0.000000 0
M  V30 28 C -0.729135 -3.712503 0.000000 0
M  V30 29 O 2.211169 -0.213526 0.000000 0
M  V30 30 C 3.587021 0.155132 0.000000 0
M  V30 31 C 2.792672 0.367978 0.000000 0
M  V30 32 C 0.699809 1.237502 0.000000 0
M  V30 33 N 1.412001 1.648687 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 1 7 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 16
M  V30 24 2 12 22
M  V30 25 1 22 23
M  V30 26 2 23 24
M  V30 27 1 24 25
M  V30 28 2 25 26
M  V30 29 1 26 12
M  V30 30 2 11 27
M  V30 31 1 19 28
M  V30 32 1 30 31
M  V30 33 1 29 31
M  V30 34 1 27 29
M  V30 35 3 32 33
M  V30 36 1 9 32
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 29 30 31) XBONDS=(1 34) LABEL=OEt CSTATE=(4 34 -
M  V30 -0.796889 0.213525 0)
M  V30 2 SUP 2 ATOMS=(2 32 33) XBONDS=(1 36) LABEL=CN CSTATE=(4 36 -0.714473 -
M  V30 -0.412501 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s007-mod

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s006.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 36 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.872549 0.825000 0.000000 0
M  V30 2 C -2.872549 0.000000 0.000000 0
M  V30 3 C -2.158077 -0.412501 0.000000 0
M  V30 4 C -1.443606 0.000000 0.000000 0
M  V30 5 C -1.443606 0.825000 0.000000 0
M  V30 6 C -2.158077 1.237501 0.000000 0
M  V30 7 N -0.729134 -0.412501 0.000000 0
M  V30 8 C -0.014664 0.000000 0.000000 0
M  V30 9 C -0.014664 0.825000 0.000000 0
M  V30 10 C -0.729134 1.237501 0.000000 0
M  V30 11 N 0.699809 -0.412501 0.000000 0
M  V30 12 C -0.729134 2.062501 0.000000 0
M  V30 13 O -2.158077 2.062501 0.000000 0
M  V30 14 C -3.587020 -0.412501 0.000000 0
M  V30 15 C -2.158077 0.412501 0.000000 0
M  V30 16 C -0.729134 -1.237501 0.000000 0
M  V30 17 C -1.443606 -1.650001 0.000000 0
M  V30 18 C -1.443606 -2.475001 0.000000 0
M  V30 19 C -0.729134 -2.887503 0.000000 0
M  V30 20 C -0.014663 -2.475001 0.000000 0
M  V30 21 C -0.014663 -1.650001 0.000000 0
M  V30 22 C -0.014663 2.475002 0.000000 0
M  V30 23 C -0.014663 3.300002 0.000000 0
M  V30 24 C -0.729134 3.712503 0.000000 0
M  V30 25 C -1.443606 3.300002 0.000000 0
M  V30 26 C -1.443606 2.475002 0.000000 0
M  V30 27 C 1.414280 0.000000 0.000000 0
M  V30 28 Br -0.729134 -3.712503 0.000000 0
M  V30 29 O 2.211169 -0.213526 0.000000 0
M  V30 30 C 3.587020 0.155132 0.000000 0
M  V30 31 C 2.792671 0.367978 0.000000 0
M  V30 32 C 0.699809 1.237502 0.000000 0
M  V30 33 N 1.412001 1.648687 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 1 7 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 16
M  V30 24 2 12 22
M  V30 25 1 22 23
M  V30 26 2 23 24
M  V30 27 1 24 25
M  V30 28 2 25 26
M  V30 29 1 26 12
M  V30 30 2 11 27
M  V30 31 1 19 28
M  V30 32 1 30 31
M  V30 33 1 29 31
M  V30 34 1 27 29
M  V30 35 3 32 33
M  V30 36 1 9 32
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 29 30 31) XBONDS=(1 34) LABEL=OEt CSTATE=(4 34 -
M  V30 -0.796889 0.213526 0)
M  V30 2 SUP 2 ATOMS=(2 32 33) XBONDS=(1 36) LABEL=CN CSTATE=(4 36 -0.714472 -
M  V30 -0.412501 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s006

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s006-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 36 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.872549 0.825000 0.000000 0
M  V30 2 C -2.872549 0.000000 0.000000 0
M  V30 3 C -2.158077 -0.412501 0.000000 0
M  V30 4 C -1.443606 0.000000 0.000000 0
M  V30 5 C -1.443606 0.825000 0.000000 0
M  V30 6 C -2.158077 1.237501 0.000000 0
M  V30 7 N -0.729134 -0.412501 0.000000 0
M  V30 8 C -0.014664 0.000000 0.000000 0
M  V30 9 C -0.014664 0.825000 0.000000 0
M  V30 10 C -0.729134 1.237501 0.000000 0
M  V30 11 N 0.699809 -0.412501 0.000000 0
M  V30 12 C -0.729134 2.062501 0.000000 0
M  V30 13 O -2.158077 2.062501 0.000000 0
M  V30 14 C -3.587020 -0.412501 0.000000 0
M  V30 15 C -2.158077 0.412501 0.000000 0
M  V30 16 C -0.729134 -1.237501 0.000000 0
M  V30 17 C -1.443606 -1.650001 0.000000 0
M  V30 18 C -1.443606 -2.475001 0.000000 0
M  V30 19 C -0.729134 -2.887503 0.000000 0
M  V30 20 C -0.014663 -2.475001 0.000000 0
M  V30 21 C -0.014663 -1.650001 0.000000 0
M  V30 22 C -0.014663 2.475002 0.000000 0
M  V30 23 C -0.014663 3.300002 0.000000 0
M  V30 24 C -0.729134 3.712503 0.000000 0
M  V30 25 C -1.443606 3.300002 0.000000 0
M  V30 26 C -1.443606 2.475002 0.000000 0
M  V30 27 C 1.414280 0.000000 0.000000 0
M  V30 28 Br -0.729134 -3.712503 0.000000 0
M  V30 29 O 2.211169 -0.213526 0.000000 0
M  V30 30 C 3.587020 0.155132 0.000000 0
M  V30 31 C 2.792671 0.367978 0.000000 0
M  V30 32 C 0.699809 1.237502 0.000000 0
M  V30 33 N 1.412001 1.648687 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 1 7 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 16
M  V30 24 2 12 22
M  V30 25 1 22 23
M  V30 26 2 23 24
M  V30 27 1 24 25
M  V30 28 2 25 26
M  V30 29 1 26 12
M  V30 30 2 11 27
M  V30 31 1 19 28
M  V30 32 1 30 31
M  V30 33 1 29 31
M  V30 34 1 27 29
M  V30 35 3 32 33
M  V30 36 1 9 32
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 29 30 31) XBONDS=(1 34) LABEL=OEt CSTATE=(4 34 -
M  V30 -0.796889 0.213526 0)
M  V30 2 SUP 2 ATOMS=(2 32 33) XBONDS=(1 36) LABEL=CN CSTATE=(4 36 -0.714472 -
M  V30 -0.412501 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s006-mod

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s005.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.872549 0.412500 0.000000 0
M  V30 2 C -2.872549 -0.412500 0.000000 0
M  V30 3 C -2.158077 -0.825001 0.000000 0
M  V30 4 C -1.443606 -0.412500 0.000000 0
M  V30 5 C -1.443606 0.412500 0.000000 0
M  V30 6 C -2.158077 0.825001 0.000000 0
M  V30 7 N -0.729134 -0.825001 0.000000 0
M  V30 8 C -0.014664 -0.412500 0.000000 0
M  V30 9 C -0.014664 0.412500 0.000000 0
M  V30 10 C -0.729134 0.825001 0.000000 0
M  V30 11 N 0.699809 -0.825001 0.000000 0
M  V30 12 C -0.729134 1.650001 0.000000 0
M  V30 13 O -2.158077 1.650001 0.000000 0
M  V30 14 C -3.587020 -0.825001 0.000000 0
M  V30 15 C -2.158077 0.000000 0.000000 0
M  V30 16 C -0.729134 -1.650001 0.000000 0
M  V30 17 C -1.443606 -2.062501 0.000000 0
M  V30 18 C -1.443606 -2.887501 0.000000 0
M  V30 19 C -0.729134 -3.300003 0.000000 0
M  V30 20 C -0.014663 -2.887501 0.000000 0
M  V30 21 C -0.014663 -2.062501 0.000000 0
M  V30 22 C -0.014663 2.062501 0.000000 0
M  V30 23 C -0.014663 2.887502 0.000000 0
M  V30 24 C -0.729134 3.300003 0.000000 0
M  V30 25 C -1.443606 2.887502 0.000000 0
M  V30 26 C -1.443606 2.062501 0.000000 0
M  V30 27 C 1.414280 -0.412500 0.000000 0
M  V30 28 O 2.211169 -0.626027 0.000000 0
M  V30 29 C 3.587020 -0.257368 0.000000 0
M  V30 30 C 2.792671 -0.044523 0.000000 0
M  V30 31 C 0.699809 0.825002 0.000000 0
M  V30 32 N 1.412001 1.236186 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 1 7 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 16
M  V30 24 2 12 22
M  V30 25 1 22 23
M  V30 26 2 23 24
M  V30 27 1 24 25
M  V30 28 2 25 26
M  V30 29 1 26 12
M  V30 30 2 11 27
M  V30 31 1 29 30
M  V30 32 1 28 30
M  V30 33 1 27 28
M  V30 34 3 31 32
M  V30 35 1 9 31
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 28 29 30) XBONDS=(1 33) LABEL=OEt CSTATE=(4 33 -
M  V30 -0.796889 0.213527 0)
M  V30 2 SUP 2 ATOMS=(2 31 32) XBONDS=(1 35) LABEL=CN CSTATE=(4 35 -0.714472 -
M  V30 -0.412501 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s005

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s005-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.872549 0.412500 0.000000 0
M  V30 2 C -2.872549 -0.412500 0.000000 0
M  V30 3 C -2.158077 -0.825001 0.000000 0
M  V30 4 C -1.443606 -0.412500 0.000000 0
M  V30 5 C -1.443606 0.412500 0.000000 0
M  V30 6 C -2.158077 0.825001 0.000000 0
M  V30 7 N -0.729134 -0.825001 0.000000 0
M  V30 8 C -0.014664 -0.412500 0.000000 0
M  V30 9 C -0.014664 0.412500 0.000000 0
M  V30 10 C -0.729134 0.825001 0.000000 0
M  V30 11 N 0.699809 -0.825001 0.000000 0
M  V30 12 C -0.729134 1.650001 0.000000 0
M  V30 13 O -2.158077 1.650001 0.000000 0
M  V30 14 C -3.587020 -0.825001 0.000000 0
M  V30 15 C -2.158077 0.000000 0.000000 0
M  V30 16 C -0.729134 -1.650001 0.000000 0
M  V30 17 C -1.443606 -2.062501 0.000000 0
M  V30 18 C -1.443606 -2.887501 0.000000 0
M  V30 19 C -0.729134 -3.300003 0.000000 0
M  V30 20 C -0.014663 -2.887501 0.000000 0
M  V30 21 C -0.014663 -2.062501 0.000000 0
M  V30 22 C -0.014663 2.062501 0.000000 0
M  V30 23 C -0.014663 2.887502 0.000000 0
M  V30 24 C -0.729134 3.300003 0.000000 0
M  V30 25 C -1.443606 2.887502 0.000000 0
M  V30 26 C -1.443606 2.062501 0.000000 0
M  V30 27 C 1.414280 -0.412500 0.000000 0
M  V30 28 O 2.211169 -0.626027 0.000000 0
M  V30 29 C 3.587020 -0.257368 0.000000 0
M  V30 30 C 2.792671 -0.044523 0.000000 0
M  V30 31 C 0.699809 0.825002 0.000000 0
M  V30 32 N 1.412001 1.236186 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 1 7 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 16
M  V30 24 2 12 22
M  V30 25 1 22 23
M  V30 26 2 23 24
M  V30 27 1 24 25
M  V30 28 2 25 26
M  V30 29 1 26 12
M  V30 30 2 11 27
M  V30 31 1 29 30
M  V30 32 1 28 30
M  V30 33 1 27 28
M  V30 34 3 31 32
M  V30 35 1 9 31
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 28 29 30) XBONDS=(1 33) LABEL=OEt CSTATE=(4 33 -
M  V30 -0.796889 0.213527 0)
M  V30 2 SUP 2 ATOMS=(2 31 32) XBONDS=(1 35) LABEL=CN CSTATE=(4 35 -0.714472 -
M  V30 -0.412501 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s005-mod

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s004.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 36 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.872548 0.412500 0.000000 0
M  V30 2 C -2.872548 -0.412500 0.000000 0
M  V30 3 C -2.158076 -0.825000 0.000000 0
M  V30 4 C -1.443605 -0.412500 0.000000 0
M  V30 5 C -1.443605 0.412500 0.000000 0
M  V30 6 C -2.158076 0.825000 0.000000 0
M  V30 7 N -0.729134 -0.825000 0.000000 0
M  V30 8 C -0.014663 -0.412500 0.000000 0
M  V30 9 C -0.014663 0.412500 0.000000 0
M  V30 10 C -0.729134 0.825000 0.000000 0
M  V30 11 N 0.699808 -0.825000 0.000000 0
M  V30 12 C -0.729134 1.650000 0.000000 0
M  V30 13 O -2.158076 1.650000 0.000000 0
M  V30 14 C -3.587019 -0.825000 0.000000 0
M  V30 15 C -2.158076 -0.000000 0.000000 0
M  V30 16 C -0.729134 -1.650000 0.000000 0
M  V30 17 C -1.443605 -2.062501 0.000000 0
M  V30 18 C -1.443605 -2.887501 0.000000 0
M  V30 19 C -0.729134 -3.300001 0.000000 0
M  V30 20 C -0.014662 -2.887501 0.000000 0
M  V30 21 C -0.014662 -2.062501 0.000000 0
M  V30 22 C -0.014662 2.062501 0.000000 0
M  V30 23 C -0.014662 2.887501 0.000000 0
M  V30 24 C -0.729134 3.300001 0.000000 0
M  V30 25 C -1.443605 2.887501 0.000000 0
M  V30 26 C -1.443605 2.062501 0.000000 0
M  V30 27 F 0.699808 1.650000 0.000000 0
M  V30 28 C 1.414279 -0.412500 0.000000 0
M  V30 29 C 0.699808 0.825001 0.000000 0
M  V30 30 N 1.412000 1.236186 0.000000 0
M  V30 31 O 2.211168 -0.626026 0.000000 0
M  V30 32 C 3.587019 -0.257368 0.000000 0
M  V30 33 C 2.792671 -0.044524 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 1 7 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 16
M  V30 24 2 12 22
M  V30 25 1 22 23
M  V30 26 2 23 24
M  V30 27 1 24 25
M  V30 28 2 25 26
M  V30 29 1 26 12
M  V30 30 1 22 27
M  V30 31 2 11 28
M  V30 32 3 29 30
M  V30 33 1 9 29
M  V30 34 1 32 33
M  V30 35 1 31 33
M  V30 36 1 28 31
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 29 30) XBONDS=(1 33) LABEL=CN CSTATE=(4 33 -0.714472 -
M  V30 -0.412501 0)
M  V30 2 SUP 2 ATOMS=(3 31 32 33) XBONDS=(1 36) LABEL=OEt CSTATE=(4 36 -
M  V30 -0.796889 0.213526 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s004

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s004-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 36 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.872548 0.412500 0.000000 0
M  V30 2 C -2.872548 -0.412500 0.000000 0
M  V30 3 C -2.158076 -0.825000 0.000000 0
M  V30 4 C -1.443605 -0.412500 0.000000 0
M  V30 5 C -1.443605 0.412500 0.000000 0
M  V30 6 C -2.158076 0.825000 0.000000 0
M  V30 7 N -0.729134 -0.825000 0.000000 0
M  V30 8 C -0.014663 -0.412500 0.000000 0
M  V30 9 C -0.014663 0.412500 0.000000 0
M  V30 10 C -0.729134 0.825000 0.000000 0
M  V30 11 N 0.699808 -0.825000 0.000000 0
M  V30 12 C -0.729134 1.650000 0.000000 0
M  V30 13 O -2.158076 1.650000 0.000000 0
M  V30 14 C -3.587019 -0.825000 0.000000 0
M  V30 15 C -2.158076 -0.000000 0.000000 0
M  V30 16 C -0.729134 -1.650000 0.000000 0
M  V30 17 C -1.443605 -2.062501 0.000000 0
M  V30 18 C -1.443605 -2.887501 0.000000 0
M  V30 19 C -0.729134 -3.300001 0.000000 0
M  V30 20 C -0.014662 -2.887501 0.000000 0
M  V30 21 C -0.014662 -2.062501 0.000000 0
M  V30 22 C -0.014662 2.062501 0.000000 0
M  V30 23 C -0.014662 2.887501 0.000000 0
M  V30 24 C -0.729134 3.300001 0.000000 0
M  V30 25 C -1.443605 2.887501 0.000000 0
M  V30 26 C -1.443605 2.062501 0.000000 0
M  V30 27 F 0.699808 1.650000 0.000000 0
M  V30 28 C 1.414279 -0.412500 0.000000 0
M  V30 29 C 0.699808 0.825001 0.000000 0
M  V30 30 N 1.412000 1.236186 0.000000 0
M  V30 31 O 2.211168 -0.626026 0.000000 0
M  V30 32 C 3.587019 -0.257368 0.000000 0
M  V30 33 C 2.792671 -0.044524 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 1 7 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 16
M  V30 24 2 12 22
M  V30 25 1 22 23
M  V30 26 2 23 24
M  V30 27 1 24 25
M  V30 28 2 25 26
M  V30 29 1 26 12
M  V30 30 1 22 27
M  V30 31 2 11 28
M  V30 32 3 29 30
M  V30 33 1 9 29
M  V30 34 1 32 33
M  V30 35 1 31 33
M  V30 36 1 28 31
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 29 30) XBONDS=(1 33) LABEL=CN CSTATE=(4 33 -0.714472 -
M  V30 -0.412501 0)
M  V30 2 SUP 2 ATOMS=(3 31 32 33) XBONDS=(1 36) LABEL=OEt CSTATE=(4 36 -
M  V30 -0.796889 0.213526 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s004-mod

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 34 38 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.855606 -1.215626 0.000000 0
M  V30 2 C -2.855606 -2.040626 0.000000 0
M  V30 3 C -2.141134 -2.453126 0.000000 0
M  V30 4 C -1.426664 -2.040626 0.000000 0
M  V30 5 C -1.426664 -1.215626 0.000000 0
M  V30 6 C -2.141134 -0.803125 0.000000 0
M  V30 7 O -0.712193 -2.453126 0.000000 0
M  V30 8 C 0.002279 -2.040626 0.000000 0
M  V30 9 C 0.002279 -1.215626 0.000000 0
M  V30 10 C -0.712193 -0.803125 0.000000 0
M  V30 11 N 0.716750 -2.453126 0.000000 0
M  V30 12 C -0.712193 0.803125 0.000000 0
M  V30 13 O -2.141134 0.021875 0.000000 0
M  V30 14 C -3.570077 -2.453126 0.000000 0
M  V30 15 C -2.141134 -1.628125 0.000000 0
M  V30 16 C 1.431221 -2.040626 0.000000 0
M  V30 17 C 0.002279 1.215626 0.000000 0
M  V30 18 C 0.002279 2.040626 0.000000 0
M  V30 19 C -0.712193 2.453126 0.000000 0
M  V30 20 C -1.426664 2.040626 0.000000 0
M  V30 21 C -1.426664 1.215626 0.000000 0
M  V30 22 C -2.141135 2.453126 0.000000 0
M  V30 23 C -2.855606 2.040626 0.000000 0
M  V30 24 C -2.855606 1.215626 0.000000 0
M  V30 25 C -2.141135 0.803125 0.000000 0
M  V30 26 C 0.716750 0.803125 0.000000 0
M  V30 27 C 1.431221 1.215626 0.000000 0
M  V30 28 C 1.431221 2.040626 0.000000 0
M  V30 29 C 0.716750 2.453126 0.000000 0
M  V30 30 C 0.716750 -0.803124 0.000000 0
M  V30 31 N 1.428741 -0.392056 0.000000 0
M  V30 32 O 2.145693 -2.453125 0.000000 0
M  V30 33 C 3.570077 -2.453125 0.000000 0
M  V30 34 C 2.857885 -2.041941 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 2 11 16
M  V30 18 2 12 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 12
M  V30 24 1 20 22
M  V30 25 2 22 23
M  V30 26 1 23 24
M  V30 27 2 24 25
M  V30 28 1 25 21
M  V30 29 1 17 26
M  V30 30 2 26 27
M  V30 31 1 27 28
M  V30 32 2 28 29
M  V30 33 1 29 18
M  V30 34 3 30 31
M  V30 35 1 9 30
M  V30 36 1 33 34
M  V30 37 1 32 34
M  V30 38 1 16 32
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 30 31) XBONDS=(1 35) LABEL=CN CSTATE=(4 35 -0.714472 -
M  V30 -0.412501 0)
M  V30 2 SUP 2 ATOMS=(3 32 33 34) XBONDS=(1 38) LABEL=OEt CSTATE=(4 38 -
M  V30 -0.714472 0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s003

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 34 38 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.855606 -1.215626 0.000000 0
M  V30 2 C -2.855606 -2.040626 0.000000 0
M  V30 3 C -2.141134 -2.453126 0.000000 0
M  V30 4 C -1.426664 -2.040626 0.000000 0
M  V30 5 C -1.426664 -1.215626 0.000000 0
M  V30 6 C -2.141134 -0.803125 0.000000 0
M  V30 7 O -0.712193 -2.453126 0.000000 0
M  V30 8 C 0.002279 -2.040626 0.000000 0
M  V30 9 C 0.002279 -1.215626 0.000000 0
M  V30 10 C -0.712193 -0.803125 0.000000 0
M  V30 11 N 0.716750 -2.453126 0.000000 0
M  V30 12 C -0.712193 0.803125 0.000000 0
M  V30 13 O -2.141134 0.021875 0.000000 0
M  V30 14 C -3.570077 -2.453126 0.000000 0
M  V30 15 C -2.141134 -1.628125 0.000000 0
M  V30 16 C 1.431221 -2.040626 0.000000 0
M  V30 17 C 0.002279 1.215626 0.000000 0
M  V30 18 C 0.002279 2.040626 0.000000 0
M  V30 19 C -0.712193 2.453126 0.000000 0
M  V30 20 C -1.426664 2.040626 0.000000 0
M  V30 21 C -1.426664 1.215626 0.000000 0
M  V30 22 C -2.141135 2.453126 0.000000 0
M  V30 23 C -2.855606 2.040626 0.000000 0
M  V30 24 C -2.855606 1.215626 0.000000 0
M  V30 25 C -2.141135 0.803125 0.000000 0
M  V30 26 C 0.716750 0.803125 0.000000 0
M  V30 27 C 1.431221 1.215626 0.000000 0
M  V30 28 C 1.431221 2.040626 0.000000 0
M  V30 29 C 0.716750 2.453126 0.000000 0
M  V30 30 C 0.716750 -0.803124 0.000000 0
M  V30 31 N 1.428741 -0.392056 0.000000 0
M  V30 32 O 2.145693 -2.453125 0.000000 0
M  V30 33 C 3.570077 -2.453125 0.000000 0
M  V30 34 C 2.857885 -2.041941 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 2 11 16
M  V30 18 2 12 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 12
M  V30 24 1 20 22
M  V30 25 2 22 23
M  V30 26 1 23 24
M  V30 27 2 24 25
M  V30 28 1 25 21
M  V30 29 1 17 26
M  V30 30 2 26 27
M  V30 31 1 27 28
M  V30 32 2 28 29
M  V30 33 1 29 18
M  V30 34 3 30 31
M  V30 35 1 9 30
M  V30 36 1 33 34
M  V30 37 1 32 34
M  V30 38 1 16 32
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 30 31) XBONDS=(1 35) LABEL=CN CSTATE=(4 35 -0.714472 -
M  V30 -0.412501 0)
M  V30 2 SUP 2 ATOMS=(3 32 33 34) XBONDS=(1 38) LABEL=OEt CSTATE=(4 38 -
M  V30 -0.714472 0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s003-mod

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.855404 -0.886678 0.000000 0
M  V30 2 C -2.855404 -1.711679 0.000000 0
M  V30 3 C -2.140933 -2.124178 0.000000 0
M  V30 4 C -1.426462 -1.711679 0.000000 0
M  V30 5 C -1.426462 -0.886678 0.000000 0
M  V30 6 C -2.140933 -0.474178 0.000000 0
M  V30 7 O -0.711991 -2.124178 0.000000 0
M  V30 8 C 0.002480 -1.711679 0.000000 0
M  V30 9 C 0.002480 -0.886678 0.000000 0
M  V30 10 C -0.711991 -0.474178 0.000000 0
M  V30 11 N 0.716952 -2.124178 0.000000 0
M  V30 12 C -0.711991 0.474178 0.000000 0
M  V30 13 O -2.140933 0.350823 0.000000 0
M  V30 14 C -3.569876 -2.124178 0.000000 0
M  V30 15 C -2.140933 -1.299178 0.000000 0
M  V30 16 C 1.431423 -1.711678 0.000000 0
M  V30 17 C 0.002480 0.886678 0.000000 0
M  V30 18 C 0.002480 1.711679 0.000000 0
M  V30 19 C -0.711991 2.124178 0.000000 0
M  V30 20 C -1.426462 1.711679 0.000000 0
M  V30 21 C -1.426462 0.886678 0.000000 0
M  V30 22 F 0.716952 0.474178 0.000000 0
M  V30 23 O 2.145894 -2.124177 0.000000 0
M  V30 24 C 3.569876 -2.124177 0.000000 0
M  V30 25 C 2.857885 -1.713109 0.000000 0
M  V30 26 C 0.716952 -0.474177 0.000000 0
M  V30 27 N 1.428942 -0.063109 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 2 11 16
M  V30 18 2 12 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 12
M  V30 24 1 17 22
M  V30 25 1 24 25
M  V30 26 1 23 25
M  V30 27 1 16 23
M  V30 28 3 26 27
M  V30 29 1 9 26
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 23 24 25) XBONDS=(1 27) LABEL=OEt CSTATE=(4 27 -
M  V30 -0.714472 0.412500 0)
M  V30 2 SUP 2 ATOMS=(2 26 27) XBONDS=(1 29) LABEL=CN CSTATE=(4 29 -0.714472 -
M  V30 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s002

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1364-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.855404 -0.886678 0.000000 0
M  V30 2 C -2.855404 -1.711679 0.000000 0
M  V30 3 C -2.140933 -2.124178 0.000000 0
M  V30 4 C -1.426462 -1.711679 0.000000 0
M  V30 5 C -1.426462 -0.886678 0.000000 0
M  V30 6 C -2.140933 -0.474178 0.000000 0
M  V30 7 O -0.711991 -2.124178 0.000000 0
M  V30 8 C 0.002480 -1.711679 0.000000 0
M  V30 9 C 0.002480 -0.886678 0.000000 0
M  V30 10 C -0.711991 -0.474178 0.000000 0
M  V30 11 N 0.716952 -2.124178 0.000000 0
M  V30 12 C -0.711991 0.474178 0.000000 0
M  V30 13 O -2.140933 0.350823 0.000000 0
M  V30 14 C -3.569876 -2.124178 0.000000 0
M  V30 15 C -2.140933 -1.299178 0.000000 0
M  V30 16 C 1.431423 -1.711678 0.000000 0
M  V30 17 C 0.002480 0.886678 0.000000 0
M  V30 18 C 0.002480 1.711679 0.000000 0
M  V30 19 C -0.711991 2.124178 0.000000 0
M  V30 20 C -1.426462 1.711679 0.000000 0
M  V30 21 C -1.426462 0.886678 0.000000 0
M  V30 22 F 0.716952 0.474178 0.000000 0
M  V30 23 O 2.145894 -2.124177 0.000000 0
M  V30 24 C 3.569876 -2.124177 0.000000 0
M  V30 25 C 2.857885 -1.713109 0.000000 0
M  V30 26 C 0.716952 -0.474177 0.000000 0
M  V30 27 N 1.428942 -0.063109 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 1 10 12
M  V30 14 2 6 13
M  V30 15 1 2 14
M  V30 16 1 2 15
M  V30 17 2 11 16
M  V30 18 2 12 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 12
M  V30 24 1 17 22
M  V30 25 1 24 25
M  V30 26 1 23 25
M  V30 27 1 16 23
M  V30 28 3 26 27
M  V30 29 1 9 26
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 23 24 25) XBONDS=(1 27) LABEL=OEt CSTATE=(4 27 -
M  V30 -0.714472 0.412500 0)
M  V30 2 SUP 2 ATOMS=(2 26 27) XBONDS=(1 29) LABEL=CN CSTATE=(4 29 -0.714472 -
M  V30 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1364-s002-mod

>  <DOI>
10.3390/M1364

$$$$

File : molbank-2022-M1363-s007.mol

 29 33  0  0  0  0  0  0  0  0999 V2000
   -5.0397    0.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4522   -0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6590    0.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8609   -0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    0.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2416    0.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0397    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2247    1.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6372    0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514    0.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -0.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410   -0.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0577   -0.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2712    0.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <DOI>
10.3390/M1363

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>  <MOL_ID>
molbank-2022-M1363-s007-mod

>  <DOI>
10.3390/M1363

$$$$

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>  <MOL_ID>
molbank-2022-M1363-s006

>  <DOI>
10.3390/M1363

$$$$

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>  <MOL_ID>
molbank-2022-M1363-s006-mod

>  <DOI>
10.3390/M1363

$$$$

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>  <MOL_ID>
molbank-2022-M1363-s005

>  <DOI>
10.3390/M1363

$$$$

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>  <DOI>
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>  <DOI>
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>  <MOL_ID>
molbank-2022-M1362-s002

>  <DOI>
10.3390/M1362

$$$$

File : molbank-2022-M1362-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1362-s002-mod

>  <DOI>
10.3390/M1362

$$$$

File : molbank-2022-M1361-s003.mol

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>  <MOL_ID>
molbank-2022-M1361-s003

>  <DOI>
10.3390/M1361

$$$$

File : molbank-2022-M1361-s003-mod.mol

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>  <MOL_ID>
molbank-2022-M1361-s003-mod

>  <DOI>
10.3390/M1361

$$$$

File : molbank-2022-M1361-s002.mol

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>  <MOL_ID>
molbank-2022-M1361-s002

>  <DOI>
10.3390/M1361

$$$$

File : molbank-2022-M1361-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1361-s002-mod

>  <DOI>
10.3390/M1361

$$$$

File : molbank-2022-M1360-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 36 39 0 0 0
M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 36 1 32 33
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M  V30 39 2 21 36
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1360-s003

>  <DOI>
10.3390/M1360

$$$$

File : molbank-2022-M1360-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 36 39 0 0 0
M  V30 BEGIN ATOM
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M  V30 36 O  7.106302 -3.953626 -1.666809 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 15 2 14 15
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M  V30 20 2 18 19
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M  V30 34 1 21 31
M  V30 39 2 21 36
M  V30 25 2 22 23
M  V30 26 1 22 24
M  V30 27 2 24 25
M  V30 28 1 24 26
M  V30 32 1 29 25
M  V30 29 2 26 27
M  V30 30 1 27 28
M  V30 31 2 28 29
M  V30 37 1 30 34
M  V30 35 1 31 32
M  V30 36 1 32 33
M  V30 38 1 34 35
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1360-s003-mod

>  <DOI>
10.3390/M1360

$$$$

File : molbank-2022-M1360-s002.mol

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  1  2  1
  1  8  1
  1 29  1
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  3 30  1
  4 15  1
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>  <MOL_ID>
molbank-2022-M1360-s002

>  <DOI>
10.3390/M1360

$$$$

File : molbank-2022-M1360-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1360-s002-mod

>  <DOI>
10.3390/M1360

$$$$

File : molbank-2022-M1359-s003.mol

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M  END
>  <MOL_ID>
molbank-2022-M1359-s003

>  <DOI>
10.3390/M1359

$$$$

File : molbank-2022-M1359-s003-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1359-s003-mod

>  <DOI>
10.3390/M1359

$$$$

File : molbank-2022-M1359-s002.mol

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M  SBV   1  31   -0.7595   -0.3148
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  29  30  31
M  SBL   2  1  34
M  SMT   2 \Si\nPr
M  SBV   2  34   -0.6891    0.6885
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  32  33  34
M  SBL   3  1  37
M  SMT   3 \S^i\nPr
M  SBV   3  37    0.6891    0.6885
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  3  35  36  37
M  SBL   4  1  40
M  SMT   4 \S^i\nPr
M  SBV   4  40    0.7595   -0.3148
M  END
>  <MOL_ID>
molbank-2022-M1359-s002

>  <DOI>
10.3390/M1359

$$$$

File : molbank-2022-M1359-s002-mod.mol

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    0.4548    0.0692    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2558    1.5600    0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0069    2.6148   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0754   -2.1365    1.6665 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757   -2.5040    0.5598 Ni  0  0  0  0  0  0  0  0  0  0  0  0
    3.0864   -3.2600    2.0357 P   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0683   -4.6851   -4.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934   -5.1024   -3.6991 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7228   -1.4801    2.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584   -2.3794    3.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428   -0.0575    2.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -3.5152    0.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0318   -4.7460    1.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2478   -3.0619    0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9762   -3.4240    3.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4313   -2.0469    3.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8113   -4.3591    3.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -3.4657    3.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7721   -4.9298    3.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8543   -3.0522    2.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  2  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
  8 12  1  0
  3 13  1  0
  7 14  1  0
 13 14  1  0
 13 12  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 16 21  1  0
 20 22  1  0
 19 23  1  0
 18 24  1  0
 17 25  1  0
 26 27  1  0
 26 28  1  0
 12 26  1  0
 29 30  1  0
 29 31  1  0
 12 29  1  0
 32 33  1  0
 32 34  1  0
 14 32  1  0
 35 36  1  0
 35 37  1  0
 14 35  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  26  27  28
M  SBL   1  1  31
M  SMT   1 \Si\nPr
M  SBV   1  31   -0.7595   -0.3148
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  29  30  31
M  SBL   2  1  34
M  SMT   2 \Si\nPr
M  SBV   2  34   -0.6891    0.6885
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  32  33  34
M  SBL   3  1  37
M  SMT   3 \S^i\nPr
M  SBV   3  37    0.6891    0.6885
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  3  35  36  37
M  SBL   4  1  40
M  SMT   4 \S^i\nPr
M  SBV   4  40    0.7595   -0.3148
M  END
>  <MOL_ID>
molbank-2022-M1359-s002-mod

>  <DOI>
10.3390/M1359

$$$$

File : molbank-2022-M1358-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 86 90 2 0 1
M  V30 BEGIN ATOM
M  V30 1 O -6.204977 3.625991 0.000000 0
M  V30 2 C -6.204977 2.800991 0.000000 0
M  V30 3 C -6.919404 2.388491 0.000000 0
M  V30 4 C -7.633832 2.800991 0.000000 0
M  V30 5 C -8.348259 2.388491 0.000000 0
M  V30 6 C -8.348259 1.563490 0.000000 0
M  V30 7 C -7.633832 1.150990 0.000000 0
M  V30 8 C -6.919404 1.563490 0.000000 0
M  V30 9 N -6.204977 1.150990 0.000000 0
M  V30 10 N -5.490550 2.388491 0.000000 0
M  V30 11 C -4.776122 2.800991 0.000000 0
M  V30 12 C -4.061122 2.388491 0.000000 0
M  V30 13 O -4.061122 1.563490 0.000000 0
M  V30 14 C -4.776122 3.625991 0.000000 0
M  V30 15 C -5.490550 4.038492 0.000000 0
M  V30 16 C -4.061122 4.038492 0.000000 0
M  V30 17 O -3.346695 2.800991 0.000000 0
M  V30 18 C -2.635132 4.033908 0.000000 0
M  V30 19 C -3.346695 3.623127 0.000000 0
M  V30 20 O 2.711902 3.663231 0.000000 0
M  V30 21 C 2.711902 2.841095 0.000000 0
M  V30 22 C 1.999766 2.429741 0.000000 0
M  V30 23 C 1.287630 2.841095 0.000000 0
M  V30 24 C 0.575495 2.429741 0.000000 0
M  V30 25 C 0.575495 1.607605 0.000000 0
M  V30 26 C 1.287630 1.196823 0.000000 0
M  V30 27 C 1.999766 1.607605 0.000000 0
M  V30 28 N 3.423464 2.429741 0.000000 0
M  V30 29 C 4.135601 2.841095 0.000000 0
M  V30 30 C 4.847736 2.429741 0.000000 0
M  V30 31 O 4.847736 1.607605 0.000000 0
M  V30 32 C 4.135601 3.663231 0.000000 0
M  V30 33 N 2.711902 1.196823 0.000000 0
M  V30 34 C 3.423464 1.607605 0.000000 0
M  V30 35 O 4.138465 1.195105 0.000000 0
M  V30 36 C 3.421173 4.075731 0.000000 0
M  V30 37 C 4.850028 4.075731 0.000000 0
M  V30 38 O 5.559872 2.841095 0.000000 0
M  V30 39 C 6.271435 4.074012 0.000000 0
M  V30 40 C 5.559872 3.663231 0.000000 0
M  V30 41 O -7.642425 -1.607605 0.000000 0
M  V30 42 C -7.642425 -2.429741 0.000000 0
M  V30 43 C -8.354561 -2.841095 0.000000 0
M  V30 44 C -9.066124 -2.429741 0.000000 0
M  V30 45 C -9.778260 -2.841095 0.000000 0
M  V30 46 C -9.778260 -3.663231 0.000000 0
M  V30 47 C -9.066124 -4.074012 0.000000 0
M  V30 48 C -8.354561 -3.663231 0.000000 0
M  V30 49 N -6.930289 -2.841095 0.000000 0
M  V30 50 C -6.218154 -2.429741 0.000000 0
M  V30 51 C -5.506591 -2.841095 0.000000 0
M  V30 52 O -4.794455 -2.429741 0.000000 0
M  V30 53 O -5.506591 -3.663231 0.000000 0
M  V30 54 C -6.218154 -1.607605 0.000000 0
M  V30 55 N -7.642425 -4.074012 0.000000 0
M  V30 56 C -6.930289 -3.663231 0.000000 0
M  V30 57 O -6.215863 -4.075731 0.000000 0
M  V30 58 C -6.933154 -1.195105 0.000000 0
M  V30 59 C -5.503726 -1.195105 0.000000 0
M  V30 60 O 3.358152 -1.507344 0.000000 0
M  V30 61 C 3.358152 -2.329480 0.000000 0
M  V30 62 C 2.646017 -2.740834 0.000000 0
M  V30 63 C 1.933880 -2.329480 0.000000 0
M  V30 64 C 1.222318 -2.740834 0.000000 0
M  V30 65 C 1.222318 -3.562970 0.000000 0
M  V30 66 C 1.933880 -3.973752 0.000000 0
M  V30 67 C 2.646017 -3.562970 0.000000 0
M  V30 68 N 4.070288 -2.740834 0.000000 0
M  V30 69 C 4.781851 -2.329480 0.000000 0
M  V30 70 C 5.493986 -2.740834 0.000000 0
M  V30 71 N 6.206122 -2.329480 0.000000 0
M  V30 72 O 5.493986 -3.562970 0.000000 0
M  V30 73 C 4.781851 -1.507344 0.000000 0
M  V30 74 N 3.358152 -3.973752 0.000000 0
M  V30 75 C 4.070288 -3.562970 0.000000 0
M  V30 76 O 4.784716 -3.975470 0.000000 0
M  V30 77 C 4.067423 -1.094844 0.000000 0
M  V30 78 C 5.496851 -1.094844 0.000000 0
M  V30 79 C 6.920550 -2.741980 0.000000 0
M  V30 80 C 6.920550 -3.566980 0.000000 0
M  V30 81 C 7.634977 -3.979481 0.000000 0
M  V30 82 C 8.349405 -3.566980 0.000000 0
M  V30 83 C 8.349405 -2.741980 0.000000 0
M  V30 84 C 7.634977 -2.329480 0.000000 0
M  V30 85 O 9.063832 -2.329480 0.000000 0
M  V30 86 C 9.778260 -2.741980 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 18 19
M  V30 2 1 17 19
M  V30 3 1 12 17
M  V30 4 2 1 2
M  V30 5 1 2 3
M  V30 6 2 3 4
M  V30 7 1 4 5
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 3 8
M  V30 12 1 8 9
M  V30 13 1 2 10
M  V30 14 1 10 11
M  V30 15 1 11 12
M  V30 16 2 12 13
M  V30 17 1 11 14 CFG=1
M  V30 18 1 14 15
M  V30 19 1 14 16
M  V30 20 1 39 40
M  V30 21 1 38 40
M  V30 22 1 30 38
M  V30 23 2 20 21
M  V30 24 1 21 22
M  V30 25 2 22 23
M  V30 26 1 23 24
M  V30 27 2 24 25
M  V30 28 1 25 26
M  V30 29 2 26 27
M  V30 30 1 22 27
M  V30 31 1 21 28
M  V30 32 1 28 29
M  V30 33 1 29 30
M  V30 34 2 30 31
M  V30 35 1 29 32 CFG=1
M  V30 36 1 27 33
M  V30 37 1 33 34
M  V30 38 1 34 28
M  V30 39 2 34 35
M  V30 40 1 32 36
M  V30 41 1 32 37
M  V30 42 2 41 42
M  V30 43 1 42 43
M  V30 44 2 43 44
M  V30 45 1 44 45
M  V30 46 2 45 46
M  V30 47 1 46 47
M  V30 48 2 47 48
M  V30 49 1 43 48
M  V30 50 1 42 49
M  V30 51 1 49 50
M  V30 52 1 50 51
M  V30 53 1 51 52
M  V30 54 2 51 53
M  V30 55 1 50 54 CFG=1
M  V30 56 1 48 55
M  V30 57 1 55 56
M  V30 58 1 56 49
M  V30 59 2 56 57
M  V30 60 1 54 58
M  V30 61 1 54 59
M  V30 62 2 60 61
M  V30 63 1 61 62
M  V30 64 2 62 63
M  V30 65 1 63 64
M  V30 66 2 64 65
M  V30 67 1 65 66
M  V30 68 2 66 67
M  V30 69 1 62 67
M  V30 70 1 61 68
M  V30 71 1 68 69
M  V30 72 1 69 70
M  V30 73 1 70 71
M  V30 74 2 70 72
M  V30 75 1 69 73 CFG=1
M  V30 76 1 67 74
M  V30 77 1 74 75
M  V30 78 1 75 68
M  V30 79 2 75 76
M  V30 80 1 73 77
M  V30 81 1 73 78
M  V30 82 1 71 79
M  V30 83 2 79 80
M  V30 84 1 80 81
M  V30 85 2 81 82
M  V30 86 1 82 83
M  V30 87 2 83 84
M  V30 88 1 84 79
M  V30 89 1 83 85
M  V30 90 1 85 86
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 17 18 19) XBONDS=(1 3) LABEL=OEt CSTATE=(4 3 -
M  V30 -0.714427 -0.412500 0)
M  V30 2 SUP 2 ATOMS=(3 38 39 40) XBONDS=(1 22) LABEL=OEt CSTATE=(4 22 -
M  V30 -0.712136 -0.411354 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1358-s002

>  <DOI>
10.3390/M1358

$$$$

File : molbank-2022-M1358-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 86 90 2 0 1
M  V30 BEGIN ATOM
M  V30 1 O -6.204977 3.625991 0.000000 0
M  V30 2 C -6.204977 2.800991 0.000000 0
M  V30 3 C -6.919404 2.388491 0.000000 0
M  V30 4 C -7.633832 2.800991 0.000000 0
M  V30 5 C -8.348259 2.388491 0.000000 0
M  V30 6 C -8.348259 1.563490 0.000000 0
M  V30 7 C -7.633832 1.150990 0.000000 0
M  V30 8 C -6.919404 1.563490 0.000000 0
M  V30 9 N -6.204977 1.150990 0.000000 0
M  V30 10 N -5.490550 2.388491 0.000000 0
M  V30 11 C -4.776122 2.800991 0.000000 0
M  V30 12 C -4.061122 2.388491 0.000000 0
M  V30 13 O -4.061122 1.563490 0.000000 0
M  V30 14 C -4.776122 3.625991 0.000000 0
M  V30 15 C -5.490550 4.038492 0.000000 0
M  V30 16 C -4.061122 4.038492 0.000000 0
M  V30 17 O -3.346695 2.800991 0.000000 0
M  V30 18 C -2.635132 4.033908 0.000000 0
M  V30 19 C -3.346695 3.623127 0.000000 0
M  V30 20 O 2.711902 3.663231 0.000000 0
M  V30 21 C 2.711902 2.841095 0.000000 0
M  V30 22 C 1.999766 2.429741 0.000000 0
M  V30 23 C 1.287630 2.841095 0.000000 0
M  V30 24 C 0.575495 2.429741 0.000000 0
M  V30 25 C 0.575495 1.607605 0.000000 0
M  V30 26 C 1.287630 1.196823 0.000000 0
M  V30 27 C 1.999766 1.607605 0.000000 0
M  V30 28 N 3.423464 2.429741 0.000000 0
M  V30 29 C 4.135601 2.841095 0.000000 0
M  V30 30 C 4.847736 2.429741 0.000000 0
M  V30 31 O 4.847736 1.607605 0.000000 0
M  V30 32 C 4.135601 3.663231 0.000000 0
M  V30 33 N 2.711902 1.196823 0.000000 0
M  V30 34 C 3.423464 1.607605 0.000000 0
M  V30 35 O 4.138465 1.195105 0.000000 0
M  V30 36 C 3.421173 4.075731 0.000000 0
M  V30 37 C 4.850028 4.075731 0.000000 0
M  V30 38 O 5.559872 2.841095 0.000000 0
M  V30 39 C 6.271435 4.074012 0.000000 0
M  V30 40 C 5.559872 3.663231 0.000000 0
M  V30 41 O -7.642425 -1.607605 0.000000 0
M  V30 42 C -7.642425 -2.429741 0.000000 0
M  V30 43 C -8.354561 -2.841095 0.000000 0
M  V30 44 C -9.066124 -2.429741 0.000000 0
M  V30 45 C -9.778260 -2.841095 0.000000 0
M  V30 46 C -9.778260 -3.663231 0.000000 0
M  V30 47 C -9.066124 -4.074012 0.000000 0
M  V30 48 C -8.354561 -3.663231 0.000000 0
M  V30 49 N -6.930289 -2.841095 0.000000 0
M  V30 50 C -6.218154 -2.429741 0.000000 0
M  V30 51 C -5.506591 -2.841095 0.000000 0
M  V30 52 O -4.794455 -2.429741 0.000000 0
M  V30 53 O -5.506591 -3.663231 0.000000 0
M  V30 54 C -6.218154 -1.607605 0.000000 0
M  V30 55 N -7.642425 -4.074012 0.000000 0
M  V30 56 C -6.930289 -3.663231 0.000000 0
M  V30 57 O -6.215863 -4.075731 0.000000 0
M  V30 58 C -6.933154 -1.195105 0.000000 0
M  V30 59 C -5.503726 -1.195105 0.000000 0
M  V30 60 O 3.358152 -1.507344 0.000000 0
M  V30 61 C 3.358152 -2.329480 0.000000 0
M  V30 62 C 2.646017 -2.740834 0.000000 0
M  V30 63 C 1.933880 -2.329480 0.000000 0
M  V30 64 C 1.222318 -2.740834 0.000000 0
M  V30 65 C 1.222318 -3.562970 0.000000 0
M  V30 66 C 1.933880 -3.973752 0.000000 0
M  V30 67 C 2.646017 -3.562970 0.000000 0
M  V30 68 N 4.070288 -2.740834 0.000000 0
M  V30 69 C 4.781851 -2.329480 0.000000 0
M  V30 70 C 5.493986 -2.740834 0.000000 0
M  V30 71 N 6.206122 -2.329480 0.000000 0
M  V30 72 O 5.493986 -3.562970 0.000000 0
M  V30 73 C 4.781851 -1.507344 0.000000 0
M  V30 74 N 3.358152 -3.973752 0.000000 0
M  V30 75 C 4.070288 -3.562970 0.000000 0
M  V30 76 O 4.784716 -3.975470 0.000000 0
M  V30 77 C 4.067423 -1.094844 0.000000 0
M  V30 78 C 5.496851 -1.094844 0.000000 0
M  V30 79 C 6.920550 -2.741980 0.000000 0
M  V30 80 C 6.920550 -3.566980 0.000000 0
M  V30 81 C 7.634977 -3.979481 0.000000 0
M  V30 82 C 8.349405 -3.566980 0.000000 0
M  V30 83 C 8.349405 -2.741980 0.000000 0
M  V30 84 C 7.634977 -2.329480 0.000000 0
M  V30 85 O 9.063832 -2.329480 0.000000 0
M  V30 86 C 9.778260 -2.741980 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 18 19
M  V30 2 1 17 19
M  V30 3 1 12 17
M  V30 4 2 1 2
M  V30 5 1 2 3
M  V30 6 2 3 4
M  V30 7 1 4 5
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 3 8
M  V30 12 1 8 9
M  V30 13 1 2 10
M  V30 14 1 10 11
M  V30 15 1 11 12
M  V30 16 2 12 13
M  V30 17 1 11 14 CFG=1
M  V30 18 1 14 15
M  V30 19 1 14 16
M  V30 20 1 39 40
M  V30 21 1 38 40
M  V30 22 1 30 38
M  V30 23 2 20 21
M  V30 24 1 21 22
M  V30 25 2 22 23
M  V30 26 1 23 24
M  V30 27 2 24 25
M  V30 28 1 25 26
M  V30 29 2 26 27
M  V30 30 1 22 27
M  V30 31 1 21 28
M  V30 32 1 28 29
M  V30 33 1 29 30
M  V30 34 2 30 31
M  V30 35 1 29 32 CFG=1
M  V30 36 1 27 33
M  V30 37 1 33 34
M  V30 38 1 34 28
M  V30 39 2 34 35
M  V30 40 1 32 36
M  V30 41 1 32 37
M  V30 42 2 41 42
M  V30 43 1 42 43
M  V30 44 2 43 44
M  V30 45 1 44 45
M  V30 46 2 45 46
M  V30 47 1 46 47
M  V30 48 2 47 48
M  V30 49 1 43 48
M  V30 50 1 42 49
M  V30 51 1 49 50
M  V30 52 1 50 51
M  V30 53 1 51 52
M  V30 54 2 51 53
M  V30 55 1 50 54 CFG=1
M  V30 56 1 48 55
M  V30 57 1 55 56
M  V30 58 1 56 49
M  V30 59 2 56 57
M  V30 60 1 54 58
M  V30 61 1 54 59
M  V30 62 2 60 61
M  V30 63 1 61 62
M  V30 64 2 62 63
M  V30 65 1 63 64
M  V30 66 2 64 65
M  V30 67 1 65 66
M  V30 68 2 66 67
M  V30 69 1 62 67
M  V30 70 1 61 68
M  V30 71 1 68 69
M  V30 72 1 69 70
M  V30 73 1 70 71
M  V30 74 2 70 72
M  V30 75 1 69 73 CFG=1
M  V30 76 1 67 74
M  V30 77 1 74 75
M  V30 78 1 75 68
M  V30 79 2 75 76
M  V30 80 1 73 77
M  V30 81 1 73 78
M  V30 82 1 71 79
M  V30 83 2 79 80
M  V30 84 1 80 81
M  V30 85 2 81 82
M  V30 86 1 82 83
M  V30 87 2 83 84
M  V30 88 1 84 79
M  V30 89 1 83 85
M  V30 90 1 85 86
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 17 18 19) XBONDS=(1 3) LABEL=OEt CSTATE=(4 3 -
M  V30 -0.714427 -0.412500 0)
M  V30 2 SUP 2 ATOMS=(3 38 39 40) XBONDS=(1 22) LABEL=OEt CSTATE=(4 22 -
M  V30 -0.712136 -0.411354 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1358-s002-mod

>  <DOI>
10.3390/M1358

$$$$

File : molbank-2022-M1357-s002.mol

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    0.6298   -1.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3418   -1.6609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 24  1  0
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  2  3  1  0
  3  4  2  0
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  2  7  1  0
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  8  9  2  0
  9  3  1  0
  5 10  1  0
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  1 13  1  0
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 16 17  2  0
 17 18  1  0
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 20 21  2  0
 21 16  1  0
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 22 23  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  24  25  26
M  SBL   1  1   3
M  SMT   1 CO2H
M  SBV   1   3    0.0000    0.8250
M  END
>  <MOL_ID>
molbank-2022-M1357-s002

>  <DOI>
10.3390/M1357

$$$$

File : molbank-2022-M1357-s002-mod.mol

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   -1.6973   -1.3853    4.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4365   -2.4620    4.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0
  2  7  1  0
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  9  3  1  0
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 10 11  1  0
 10 12  2  0
  1 13  1  0
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 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  24  25  26
M  SBL   1  1   3
M  SMT   1 CO2H
M  SBV   1   3    0.0000    0.8250
M  END
>  <MOL_ID>
molbank-2022-M1357-s002-mod

>  <DOI>
10.3390/M1357

$$$$

File : molbank-2022-M1356-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.714471 -0.046379 0.000000 0
M  V30 2 C -0.714471 -0.871379 0.000000 0
M  V30 3 N -0.000000 -1.283879 0.000000 0
M  V30 4 C 0.714471 -0.871379 0.000000 0
M  V30 5 C 0.714471 -0.046379 0.000000 0
M  V30 6 C -0.000000 0.366121 0.000000 0
M  V30 7 C -1.427682 -1.283152 0.000000 0
M  V30 8 C 1.427682 -1.283152 0.000000 0
M  V30 9 C -2.142153 -0.870652 0.000000 0
M  V30 10 C -2.856624 -1.283152 0.000000 0
M  V30 11 C -2.856624 -2.108152 0.000000 0
M  V30 12 C -2.142153 -2.520652 0.000000 0
M  V30 13 N -1.427682 -2.108152 0.000000 0
M  V30 14 N 1.427682 -2.108152 0.000000 0
M  V30 15 C 2.142153 -2.520652 0.000000 0
M  V30 16 C 2.856624 -2.108152 0.000000 0
M  V30 17 C 2.856624 -1.283152 0.000000 0
M  V30 18 C 2.142153 -0.870652 0.000000 0
M  V30 19 C -0.000000 1.189666 0.000000 0
M  V30 20 C 0.667440 1.674589 0.000000 0
M  V30 21 C 0.412500 2.459211 0.000000 0
M  V30 22 C -0.412500 2.459211 0.000000 0
M  V30 23 N -0.667440 1.674589 0.000000 0
M  V30 24 C -1.449337 1.420535 0.000000 0
M  V30 25 C -2.060303 1.970651 0.000000 0
M  V30 26 C -2.670459 2.520652 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 2 7
M  V30 8 1 4 8
M  V30 9 2 7 9
M  V30 10 1 9 10
M  V30 11 2 10 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 7
M  V30 15 2 8 14
M  V30 16 1 14 15
M  V30 17 2 15 16
M  V30 18 1 16 17
M  V30 19 2 17 18
M  V30 20 1 18 8
M  V30 21 1 6 19
M  V30 22 2 19 20
M  V30 23 1 20 21
M  V30 24 2 21 22
M  V30 25 1 22 23
M  V30 26 1 23 19
M  V30 27 1 23 24
M  V30 28 1 24 25
M  V30 29 3 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1356-s002

>  <DOI>
10.3390/M1356

$$$$

File : molbank-2022-M1356-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  0.761871 5.725841 -0.038601 0
M  V30 2 C  1.536078 6.880624 -0.065977 0
M  V30 3 N  2.859693 6.810341 -0.107714 0
M  V30 4 C  3.498891 5.648483 -0.119990 0
M  V30 5 C  2.796621 4.448678 -0.089664 0
M  V30 6 C  1.398288 4.479571 -0.045263 0
M  V30 7 C  0.872765 8.208011 -0.054088 0
M  V30 8 C  4.981947 5.628502 -0.167165 0
M  V30 9 C  1.645544 9.366424 -0.081029 0
M  V30 10 C  1.012409 10.597808 -0.073862 0
M  V30 11 C  -0.373841 10.629236 -0.029871 0
M  V30 12 C  -1.078523 9.439355 -0.000005 0
M  V30 13 N  -0.451082 8.281384 -0.012365 0
M  V30 14 N  5.624013 4.467777 -0.179979 0
M  V30 15 C  6.939004 4.406378 -0.221951 0
M  V30 16 C  7.703053 5.558953 -0.254865 0
M  V30 17 C  7.071578 6.794149 -0.242896 0
M  V30 18 C  5.687932 6.828546 -0.203417 0
M  V30 19 C  0.613457 3.227890 -0.012466 0
M  V30 20 C  1.052171 1.995332 -0.394974 0
M  V30 21 C  -0.007733 1.095943 -0.201602 0
M  V30 22 C  -1.056824 1.795673 0.283984 0
M  V30 23 N  -0.686005 3.100146 0.408360 0
M  V30 24 C  -1.535056 4.186731 0.903003 0
M  V30 25 C  -2.222455 4.827039 -0.230255 0
M  V30 26 C  -2.770693 5.337718 -1.134089 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 2 1 2 3
M  V30 7 1 2 7
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 8 1 4 8
M  V30 5 2 5 6
M  V30 21 1 6 19
M  V30 9 2 7 9
M  V30 14 1 13 7
M  V30 15 2 8 14
M  V30 20 1 18 8
M  V30 10 1 9 10
M  V30 11 2 10 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 16 1 14 15
M  V30 17 2 15 16
M  V30 18 1 16 17
M  V30 19 2 17 18
M  V30 22 2 19 20
M  V30 26 1 23 19
M  V30 23 1 20 21
M  V30 24 2 21 22
M  V30 25 1 22 23
M  V30 27 1 23 24
M  V30 28 1 24 25
M  V30 29 3 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1356-s002-mod

>  <DOI>
10.3390/M1356

$$$$

File : molbank-2022-M1355-s003.mol

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   -2.0637    1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8262    0.4390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8258   -1.8699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265   -1.8649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
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  1  9  1  0
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  2 23  2  0
 23 24  1  0
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  1 26  2  0
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 17 27  1  0
 18 28  1  0
M  END
>  <MOL_ID>
molbank-2022-M1355-s003

>  <DOI>
10.3390/M1355

$$$$

File : molbank-2022-M1355-s003-mod.mol

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>  <MOL_ID>
molbank-2022-M1355-s003-mod

>  <DOI>
10.3390/M1355

$$$$

File : molbank-2022-M1355-s002.mol

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>  <MOL_ID>
molbank-2022-M1355-s002

>  <DOI>
10.3390/M1355

$$$$

File : molbank-2022-M1355-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1355-s002-mod

>  <DOI>
10.3390/M1355

$$$$

File : molbank-2022-M1353-s003.mol

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>  <MOL_ID>
molbank-2022-M1353-s003

>  <DOI>
10.3390/M1353

$$$$

File : molbank-2022-M1353-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1353-s002

>  <DOI>
10.3390/M1353

$$$$

File : molbank-2022-M1352-s001.mol

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M  END
>  <MOL_ID>
molbank-2022-M1352-s001

>  <DOI>
10.3390/M1352

$$$$

File : molbank-2022-M1351-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1351-s002

>  <DOI>
10.3390/M1351

$$$$

File : molbank-2022-M1350-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1350-s002

>  <DOI>
10.3390/M1350

$$$$

File : molbank-2022-M1349-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1349-s002

>  <DOI>
10.3390/M1349

$$$$

File : molbank-2022-M1348-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 34 C 0.714141 2.717918 0.000000 0
M  V30 35 C -0.000287 3.130418 0.000000 0
M  V30 36 C -0.714714 2.717918 0.000000 0
M  V30 37 C -0.714714 1.892918 0.000000 0
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M  V30 39 C -2.143569 1.892918 0.000000 0
M  V30 40 C -2.857996 1.480418 0.000000 0
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M  V30 43 C -1.559767 -2.550053 0.000000 0
M  V30 44 C -1.044141 -3.065678 0.000000 0
M  V30 45 O -0.507318 -2.700730 0.000000 0
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M  V30 47 C 0.459765 -3.130418 0.000000 0
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M  V30 49 C 1.319141 -3.065678 0.000000 0
M  V30 50 C 1.748829 -2.635990 0.000000 0
M  V30 51 Na -0.129193 -1.635104 0.000000 0 CHG=1
M  V30 52 Br 2.850678 1.722890 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 3 7
M  V30 8 1 6 8
M  V30 9 1 5 9
M  V30 10 1 8 10
M  V30 11 1 9 11
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 1 13 16
M  V30 17 1 15 17
M  V30 18 1 17 18
M  V30 19 2 18 19
M  V30 20 1 19 20
M  V30 21 2 20 21
M  V30 22 1 21 22
M  V30 23 2 22 23
M  V30 24 1 23 18
M  V30 25 1 23 24
M  V30 26 1 24 25
M  V30 27 1 20 26
M  V30 28 1 10 27
M  V30 29 1 27 28
M  V30 30 1 28 29
M  V30 31 1 29 30
M  V30 32 1 30 31
M  V30 33 1 31 32
M  V30 34 1 32 25
M  V30 35 2 16 33
M  V30 36 1 33 34
M  V30 37 2 34 35
M  V30 38 1 35 36
M  V30 39 2 36 37
M  V30 40 1 37 16
M  V30 41 1 37 38
M  V30 42 1 38 39
M  V30 43 1 39 40
M  V30 44 1 40 41
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M  V30 46 1 8 43
M  V30 47 1 43 44
M  V30 48 1 44 45
M  V30 49 1 45 46
M  V30 50 1 46 47
M  V30 51 1 47 48
M  V30 52 1 48 49
M  V30 53 1 49 50
M  V30 54 1 50 24
M  V30 55 1 45 51 CFG=3
M  V30 56 1 48 51 CFG=3
M  V30 57 1 24 51 CFG=3
M  V30 58 1 31 51 CFG=3
M  V30 59 1 28 51 CFG=3
M  V30 60 1 8 51 CFG=3
M  V30 61 1 17 51 CFG=3
M  V30 62 1 9 51 CFG=3
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2022-M1348-s002

>  <DOI>
10.3390/M1348

$$$$

File : molbank-2022-M1347-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1347-s002

>  <DOI>
10.3390/M1347

$$$$

File : molbank-2022-M1346-s002.mol

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>  <MOL_ID>
molbank-2022-M1346-s002

>  <DOI>
10.3390/M1346

$$$$

File : molbank-2022-M1345-s002.mol

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>  <MOL_ID>
molbank-2022-M1345-s002

>  <DOI>
10.3390/M1345

$$$$

File : molbank-2022-M1344-s004.mol

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>  <MOL_ID>
molbank-2022-M1344-s004

>  <DOI>
10.3390/M1344

$$$$

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>  <MOL_ID>
molbank-2022-M1344-s003

>  <DOI>
10.3390/M1344

$$$$

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>  <MOL_ID>
molbank-2022-M1344-s002

>  <DOI>
10.3390/M1344

$$$$

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>  <MOL_ID>
molbank-2022-M1343-s002

>  <DOI>
10.3390/M1343

$$$$

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>  <MOL_ID>
molbank-2022-M1342-s013

>  <DOI>
10.3390/M1342

$$$$

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>  <DOI>
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>  <DOI>
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$$$$

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molbank-2022-M1342-s004

>  <DOI>
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>  <DOI>
10.3390/M1342

$$$$

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>  <DOI>
10.3390/M1342

$$$$

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>  <MOL_ID>
molbank-2022-M1341-s007

>  <DOI>
10.3390/M1341

$$$$

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>  <MOL_ID>
molbank-2022-M1341-s006

>  <DOI>
10.3390/M1341

$$$$

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>  <MOL_ID>
molbank-2022-M1341-s005

>  <DOI>
10.3390/M1341

$$$$

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>  <MOL_ID>
molbank-2022-M1341-s004

>  <DOI>
10.3390/M1341

$$$$

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>  <MOL_ID>
molbank-2022-M1341-s003

>  <DOI>
10.3390/M1341

$$$$

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>  <MOL_ID>
molbank-2022-M1341-s002

>  <DOI>
10.3390/M1341

$$$$

File : molbank-2022-M1340-s002.mol

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>  <MOL_ID>
molbank-2022-M1340-s002

>  <DOI>
10.3390/M1340

$$$$

File : molbank-2022-M1339-s002.mol

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>  <MOL_ID>
molbank-2022-M1339-s002

>  <DOI>
10.3390/M1339

$$$$

File : molbank-2022-M1339-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1339-s002-mod

>  <DOI>
10.3390/M1339

$$$$

File : molbank-2022-M1338-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1338-s002

>  <DOI>
10.3390/M1338

$$$$

File : molbank-2022-M1338-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1338-s002-mod

>  <DOI>
10.3390/M1338

$$$$

File : molbank-2022-M1337-s002.mol

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>  <MOL_ID>
molbank-2022-M1337-s002

>  <DOI>
10.3390/M1337

$$$$

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>  <MOL_ID>
molbank-2022-M1337-s002-mod

>  <DOI>
10.3390/M1337

$$$$

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>  <MOL_ID>
molbank-2022-M1336-s002

>  <DOI>
10.3390/M1336

$$$$

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>  <MOL_ID>
molbank-2022-M1336-s002-mod

>  <DOI>
10.3390/M1336

$$$$

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>  <MOL_ID>
molbank-2022-M1335-s002

>  <DOI>
10.3390/M1335

$$$$

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>  <MOL_ID>
molbank-2022-M1335-s002-mod

>  <DOI>
10.3390/M1335

$$$$

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M  STY 14   1 SUP   2 SUP   3 SUP   4 SUP   5 SUP   6 SUP   7 SUP   8 SUP   9 SUP  10 SUP  11 SUP  12 SUP  13 SUP  14 SUP
M  SAL   1  6  11  12  13  14  15  16
M  SBL   1  1  15
M  SMT   1 Ph
M  SAL   2  6  17  18  19  20  21  22
M  SBL   2  1  18
M  SMT   2 Ph
M  SAL   3  6  23  24  25  26  27  28
M  SBL   3  1  19
M  SMT   3 Ph
M  SAL   4  6  29  30  31  32  33  34
M  SBL   4  1   5
M  SMT   4 Ph
M  SAL   5  6  35  36  37  38  39  40
M  SBL   5  1   6
M  SMT   5 Ph
M  SAL   6  6  41  42  43  44  45  46
M  SBL   6  1  10
M  SMT   6 Ph
M  SAL   7  6  47  48  49  50  51  52
M  SBL   7  1  11
M  SMT   7 Ph
M  SAL   8  6  77  78  79  80  81  82
M  SBL   8  1  16
M  SMT   8 Ph
M  SAL   9  4  53  54  55  56
M  SBL   9  1  23
M  SMT   9 But
M  SAL  10  4  57  58  59  60
M  SBL  10  1  24
M  SMT  10 But
M  SAL  11  4  61  62  63  64
M  SBL  11  1  25
M  SMT  11 But
M  SAL  12  4  65  66  67  68
M  SBL  12  1  20
M  SMT  12 But
M  SAL  13  4  69  70  71  72
M  SBL  13  1  21
M  SMT  13 But
M  SAL  14  4  73  74  75  76
M  SBL  14  1  22
M  SMT  14 But
M  END
>  <MOL_ID>
molbank-2022-M1334-s002

>  <DOI>
10.3390/M1334

$$$$

File : molbank-2022-M1334-s002-mod.mol

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M  SBL   1  1  15
M  SMT   1 Ph
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M  SBL   2  1  18
M  SMT   2 Ph
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M  SBL   4  1   5
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M  SBL   8  1  16
M  SMT   8 Ph
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M  SBL   9  1  23
M  SMT   9 But
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M  SBL  10  1  24
M  SMT  10 But
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M  SBL  11  1  25
M  SMT  11 But
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M  SBL  12  1  20
M  SMT  12 But
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M  SBL  13  1  21
M  SMT  13 But
M  SAL  14  4  73  74  75  76
M  SBL  14  1  22
M  SMT  14 But
M  END
>  <MOL_ID>
molbank-2022-M1334-s002-mod

>  <DOI>
10.3390/M1334

$$$$

File : molbank-2022-M1333-s002.mol

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>  <MOL_ID>
molbank-2022-M1333-s002

>  <DOI>
10.3390/M1333

$$$$

File : molbank-2022-M1333-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1333-s002-mod

>  <DOI>
10.3390/M1333

$$$$

File : molbank-2022-M1332-s003.mol

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>  <MOL_ID>
molbank-2022-M1332-s003

>  <DOI>
10.3390/M1332

$$$$

File : molbank-2022-M1332-s003-mod.mol

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>  <MOL_ID>
molbank-2022-M1332-s003-mod

>  <DOI>
10.3390/M1332

$$$$

File : molbank-2022-M1332-s002.mol

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>  <MOL_ID>
molbank-2022-M1332-s002

>  <DOI>
10.3390/M1332

$$$$

File : molbank-2022-M1332-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1332-s002-mod

>  <DOI>
10.3390/M1332

$$$$

File : molbank-2022-M1331-s004.mol

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M  END
>  <MOL_ID>
molbank-2022-M1331-s004

>  <DOI>
10.3390/M1331

$$$$

File : molbank-2022-M1331-s004-mod.mol

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>  <MOL_ID>
molbank-2022-M1331-s004-mod

>  <DOI>
10.3390/M1331

$$$$

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>  <MOL_ID>
molbank-2022-M1331-s003

>  <DOI>
10.3390/M1331

$$$$

File : molbank-2022-M1331-s003-mod.mol

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>  <MOL_ID>
molbank-2022-M1331-s003-mod

>  <DOI>
10.3390/M1331

$$$$

File : molbank-2022-M1331-s002.mol

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>  <MOL_ID>
molbank-2022-M1331-s002

>  <DOI>
10.3390/M1331

$$$$

File : molbank-2022-M1331-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1331-s002-mod

>  <DOI>
10.3390/M1331

$$$$

File : molbank-2022-M1330-s002.mol

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>  <MOL_ID>
molbank-2022-M1330-s002

>  <DOI>
10.3390/M1330

$$$$

File : molbank-2022-M1330-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1330-s002-mod

>  <DOI>
10.3390/M1330

$$$$

File : molbank-2022-M1329-s011.mol

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>  <MOL_ID>
molbank-2022-M1329-s011

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s011-mod.mol

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>  <MOL_ID>
molbank-2022-M1329-s011-mod

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s010.mol

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M  END
>  <MOL_ID>
molbank-2022-M1329-s010

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s010-mod.mol

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>  <MOL_ID>
molbank-2022-M1329-s010-mod

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s009.mol

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>  <MOL_ID>
molbank-2022-M1329-s009

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s009-mod.mol

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>  <MOL_ID>
molbank-2022-M1329-s009-mod

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s008.mol

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>  <MOL_ID>
molbank-2022-M1329-s008

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s008-mod.mol

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>  <MOL_ID>
molbank-2022-M1329-s008-mod

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s007.mol

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>  <MOL_ID>
molbank-2022-M1329-s007

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s007-mod.mol

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>  <MOL_ID>
molbank-2022-M1329-s007-mod

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s006.mol

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M  END
>  <MOL_ID>
molbank-2022-M1329-s006

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s006-mod.mol

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>  <MOL_ID>
molbank-2022-M1329-s006-mod

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s005.mol

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>  <MOL_ID>
molbank-2022-M1329-s005

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s005-mod.mol

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>  <MOL_ID>
molbank-2022-M1329-s005-mod

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s004.mol

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>  <MOL_ID>
molbank-2022-M1329-s004

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s004-mod.mol

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>  <MOL_ID>
molbank-2022-M1329-s004-mod

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s003.mol

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>  <MOL_ID>
molbank-2022-M1329-s003

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s003-mod.mol

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>  <MOL_ID>
molbank-2022-M1329-s003-mod

>  <DOI>
10.3390/M1329

$$$$

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M  END
>  <MOL_ID>
molbank-2022-M1329-s002

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1329-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1329-s002-mod

>  <DOI>
10.3390/M1329

$$$$

File : molbank-2022-M1328-s002.mol

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M  END
>  <MOL_ID>
molbank-2022-M1328-s002

>  <DOI>
10.3390/M1328

$$$$

File : molbank-2022-M1328-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1328-s002-mod

>  <DOI>
10.3390/M1328

$$$$

File : molbank-2022-M1327-s003.mol

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M  END
>  <MOL_ID>
molbank-2022-M1327-s003

>  <DOI>
10.3390/M1327

$$$$

File : molbank-2022-M1327-s003-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1327-s003-mod

>  <DOI>
10.3390/M1327

$$$$

File : molbank-2022-M1327-s002.mol

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376377  1
376378  1
376379  1
376380  1
380381  1
382387  1
382393  1
389394  1
390395  1
390396  1
391394  1
392395  1
393394  1
394395  1
394396  1
M  END
>  <MOL_ID>
molbank-2022-M1327-s002

>  <DOI>
10.3390/M1327

$$$$

File : molbank-2022-M1327-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1327-s002-mod

>  <DOI>
10.3390/M1327

$$$$

File : molbank-2022-M1326-s002.mol

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>  <MOL_ID>
molbank-2022-M1326-s002

>  <DOI>
10.3390/M1326

$$$$

File : molbank-2022-M1326-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1326-s002-mod

>  <DOI>
10.3390/M1326

$$$$

File : molbank-2022-M1324-s002.mol

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>  <MOL_ID>
molbank-2022-M1324-s002

>  <DOI>
10.3390/M1324

$$$$

File : molbank-2022-M1324-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1324-s002-mod

>  <DOI>
10.3390/M1324

$$$$

File : molbank-2022-M1323-s002.mol

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>  <MOL_ID>
molbank-2022-M1323-s002

>  <DOI>
10.3390/M1323

$$$$

File : molbank-2022-M1323-s002-mod.mol

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molbank-2022-M1323-s002-mod

>  <DOI>
10.3390/M1323

$$$$

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>  <MOL_ID>
molbank-2022-M1322-s003

>  <DOI>
10.3390/M1322

$$$$

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>  <MOL_ID>
molbank-2022-M1322-s003-mod

>  <DOI>
10.3390/M1322

$$$$

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>  <MOL_ID>
molbank-2022-M1322-s002

>  <DOI>
10.3390/M1322

$$$$

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>  <MOL_ID>
molbank-2022-M1322-s002-mod

>  <DOI>
10.3390/M1322

$$$$

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>  <MOL_ID>
molbank-2022-M1321-s003

>  <DOI>
10.3390/M1321

$$$$

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>  <MOL_ID>
molbank-2022-M1321-s003-mod

>  <DOI>
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$$$$

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molbank-2022-M1321-s002

>  <DOI>
10.3390/M1321

$$$$

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molbank-2022-M1321-s002-mod

>  <DOI>
10.3390/M1321

$$$$

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>  <MOL_ID>
molbank-2022-M1320-s004

>  <DOI>
10.3390/M1320

$$$$

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>  <MOL_ID>
molbank-2022-M1320-s004-mod

>  <DOI>
10.3390/M1320

$$$$

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>  <DOI>
10.3390/M1320

$$$$

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>  <MOL_ID>
molbank-2022-M1320-s003-mod

>  <DOI>
10.3390/M1320

$$$$

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>  <MOL_ID>
molbank-2022-M1320-s002

>  <DOI>
10.3390/M1320

$$$$

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>  <MOL_ID>
molbank-2022-M1320-s002-mod

>  <DOI>
10.3390/M1320

$$$$

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>  <MOL_ID>
molbank-2022-M1319-s002

>  <DOI>
10.3390/M1319

$$$$

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>  <MOL_ID>
molbank-2022-M1319-s002-mod

>  <DOI>
10.3390/M1319

$$$$

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>  <MOL_ID>
molbank-2022-M1317-s002

>  <DOI>
10.3390/M1317

$$$$

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>  <MOL_ID>
molbank-2022-M1317-s002-mod

>  <DOI>
10.3390/M1317

$$$$

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>  <MOL_ID>
molbank-2022-M1316-s002

>  <DOI>
10.3390/M1316

$$$$

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>  <MOL_ID>
molbank-2022-M1316-s002-mod

>  <DOI>
10.3390/M1316

$$$$

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>  <MOL_ID>
molbank-2022-M1315-s002

>  <DOI>
10.3390/M1315

$$$$

File : molbank-2022-M1315-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1315-s002-mod

>  <DOI>
10.3390/M1315

$$$$

File : molbank-2022-M1314-s002.mol

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>  <MOL_ID>
molbank-2022-M1314-s002

>  <DOI>
10.3390/M1314

$$$$

File : molbank-2022-M1314-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1314-s002-mod

>  <DOI>
10.3390/M1314

$$$$

File : molbank-2022-M1312-s002.mol

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>  <MOL_ID>
molbank-2022-M1312-s002

>  <DOI>
10.3390/M1312

$$$$

File : molbank-2022-M1312-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1312-s002-mod

>  <DOI>
10.3390/M1312

$$$$

File : molbank-2022-M1311-s005.mol

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M  END
>  <MOL_ID>
molbank-2022-M1311-s005

>  <DOI>
10.3390/M1311

$$$$

File : molbank-2022-M1311-s005-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1311-s005-mod

>  <DOI>
10.3390/M1311

$$$$

File : molbank-2022-M1311-s004.mol

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>  <MOL_ID>
molbank-2022-M1311-s004

>  <DOI>
10.3390/M1311

$$$$

File : molbank-2022-M1311-s004-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1311-s004-mod

>  <DOI>
10.3390/M1311

$$$$

File : molbank-2022-M1311-s003.mol

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>  <MOL_ID>
molbank-2022-M1311-s003

>  <DOI>
10.3390/M1311

$$$$

File : molbank-2022-M1311-s003-mod.mol

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>  <MOL_ID>
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>  <DOI>
10.3390/M1311

$$$$

File : molbank-2022-M1311-s002.mol

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>  <MOL_ID>
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>  <DOI>
10.3390/M1311

$$$$

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>  <MOL_ID>
molbank-2022-M1311-s002-mod

>  <DOI>
10.3390/M1311

$$$$

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>  <MOL_ID>
molbank-2022-M1310-s002

>  <DOI>
10.3390/M1310

$$$$

File : molbank-2022-M1310-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1310-s002-mod

>  <DOI>
10.3390/M1310

$$$$

File : molbank-2022-M1309-s002.mol

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>  <MOL_ID>
molbank-2022-M1309-s002

>  <DOI>
10.3390/M1309

$$$$

File : molbank-2022-M1309-s002-mod.mol

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>  <MOL_ID>
molbank-2022-M1309-s002-mod

>  <DOI>
10.3390/M1309

$$$$

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M  END
>  <MOL_ID>
molbank-2022-M1307-s005

>  <DOI>
10.3390/M1307

$$$$

File : molbank-2022-M1307-s005-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1307-s005-mod

>  <DOI>
10.3390/M1307

$$$$

File : molbank-2022-M1307-s004.mol

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>  <MOL_ID>
molbank-2022-M1307-s004

>  <DOI>
10.3390/M1307

$$$$

File : molbank-2022-M1307-s004-mod.mol

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M  END
>  <MOL_ID>
molbank-2022-M1307-s004-mod

>  <DOI>
10.3390/M1307

$$$$

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>  <MOL_ID>
molbank-2022-M1307-s003

>  <DOI>
10.3390/M1307

$$$$

File : molbank-2022-M1307-s003-mod.mol

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M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  27
M  SMT   1 NHOH
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  6  25  26  27  28  29  30
M  SBL   2  1  34
M  SMT   2 Ph
M  SBV   2 34  -19.6871   28.6097
M  END
>  <MOL_ID>
molbank-2022-M1307-s003-mod

>  <DOI>
10.3390/M1307

$$$$

File : molbank-2022-M1307-s002.mol

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M  SBV   1 32   -9.0309   28.6670
M  STY  1   2 SUP
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M  SAL   2  2  29  30
M  SBL   2  1  34
M  SMT   2 NHOH
M  SBV   2 34  -10.6545   28.4092
M  END
>  <MOL_ID>
molbank-2022-M1307-s002

>  <DOI>
10.3390/M1307

$$$$

File : molbank-2022-M1307-s002-mod.mol

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M  SLB  1   1   1
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M  SBL   1  1  32
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M  SBV   1 32   -9.0309   28.6670
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  34
M  SMT   2 NHOH
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M  END
>  <MOL_ID>
molbank-2022-M1307-s002-mod

>  <DOI>
10.3390/M1307

$$$$

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>  <MOL_ID>
molbank-2021-M1306-s004

>  <DOI>
10.3390/M1306

$$$$

File : molbank-2021-M1306-s004-mod.mol

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>  <MOL_ID>
molbank-2021-M1306-s004-mod

>  <DOI>
10.3390/M1306

$$$$

File : molbank-2021-M1306-s003.mol

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>  <MOL_ID>
molbank-2021-M1306-s003

>  <DOI>
10.3390/M1306

$$$$

File : molbank-2021-M1306-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1306-s003-mod

>  <DOI>
10.3390/M1306

$$$$

File : molbank-2021-M1306-s002.mol

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>  <MOL_ID>
molbank-2021-M1306-s002

>  <DOI>
10.3390/M1306

$$$$

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>  <MOL_ID>
molbank-2021-M1306-s002-mod

>  <DOI>
10.3390/M1306

$$$$

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>  <MOL_ID>
molbank-2021-M1305-s002

>  <DOI>
10.3390/M1305

$$$$

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>  <MOL_ID>
molbank-2021-M1305-s002-mod

>  <DOI>
10.3390/M1305

$$$$

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>  <MOL_ID>
molbank-2021-M1304-s002

>  <DOI>
10.3390/M1304

$$$$

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>  <MOL_ID>
molbank-2021-M1304-s002-mod

>  <DOI>
10.3390/M1304

$$$$

File : molbank-2021-M1303-s011.mol

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>  <MOL_ID>
molbank-2021-M1303-s011

>  <DOI>
10.3390/M1303

$$$$

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>  <MOL_ID>
molbank-2021-M1303-s011-mod

>  <DOI>
10.3390/M1303

$$$$

File : molbank-2021-M1303-s010.mol

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>  <MOL_ID>
molbank-2021-M1303-s010

>  <DOI>
10.3390/M1303

$$$$

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>  <MOL_ID>
molbank-2021-M1303-s010-mod

>  <DOI>
10.3390/M1303

$$$$

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>  <MOL_ID>
molbank-2021-M1303-s009

>  <DOI>
10.3390/M1303

$$$$

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>  <MOL_ID>
molbank-2021-M1303-s009-mod

>  <DOI>
10.3390/M1303

$$$$

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>  <MOL_ID>
molbank-2021-M1303-s008

>  <DOI>
10.3390/M1303

$$$$

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>  <DOI>
10.3390/M1303

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>  <DOI>
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>  <MOL_ID>
molbank-2021-M1303-s007-mod

>  <DOI>
10.3390/M1303

$$$$

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>  <MOL_ID>
molbank-2021-M1303-s006

>  <DOI>
10.3390/M1303

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>  <MOL_ID>
molbank-2021-M1303-s006-mod

>  <DOI>
10.3390/M1303

$$$$

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>  <MOL_ID>
molbank-2021-M1303-s005

>  <DOI>
10.3390/M1303

$$$$

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>  <DOI>
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>  <MOL_ID>
molbank-2021-M1303-s002-mod

>  <DOI>
10.3390/M1303

$$$$

File : molbank-2021-M1302-s002.mol

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>  <MOL_ID>
molbank-2021-M1302-s002

>  <DOI>
10.3390/M1302

$$$$

File : molbank-2021-M1302-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1302-s002-mod

>  <DOI>
10.3390/M1302

$$$$

File : molbank-2021-M1301-s002.mol

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>  <MOL_ID>
molbank-2021-M1301-s002

>  <DOI>
10.3390/M1301

$$$$

File : molbank-2021-M1301-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1301-s002-mod

>  <DOI>
10.3390/M1301

$$$$

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>  <MOL_ID>
molbank-2021-M1300-s002

>  <DOI>
10.3390/M1300

$$$$

File : molbank-2021-M1300-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1300-s002-mod

>  <DOI>
10.3390/M1300

$$$$

File : molbank-2021-M1299-s002.mol

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>  <MOL_ID>
molbank-2021-M1299-s002

>  <DOI>
10.3390/M1299

$$$$

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>  <MOL_ID>
molbank-2021-M1299-s002-mod

>  <DOI>
10.3390/M1299

$$$$

File : molbank-2021-M1298-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 18 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C 1.598209 0.834772 0.000000 0
M  V30 3 N 0.798638 0.643474 0.000000 0
M  V30 4 N 0.733491 -0.176076 0.000000 0
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M  V30 6 N -0.690030 -0.212235 0.000000 0
M  V30 7 C -1.432355 -0.565592 0.000000 0
M  V30 8 C -1.997807 0.031207 0.000000 0
M  V30 9 C -1.604953 0.753407 0.000000 0
M  V30 10 N -0.796702 0.602951 0.000000 0
M  V30 11 C 0.032169 -0.605091 0.000000 0
M  V30 12 C -2.812994 -0.075465 0.000000 0
M  V30 13 C 2.846774 0.068302 0.000000 0
M  V30 14 O -3.312967 0.577172 0.000000 0
M  V30 15 O -3.128206 -0.834772 0.000000 0
M  V30 16 O 3.312967 0.745481 0.000000 0
M  V30 17 O 3.200130 -0.674022 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 2 5 1
M  V30 6 1 6 7
M  V30 7 2 7 8
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M  V30 12 1 8 12
M  V30 13 1 1 13
M  V30 14 2 12 14
M  V30 15 1 12 15
M  V30 16 2 13 16
M  V30 17 1 13 17
M  V30 18 1 6 11
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1298-s002

>  <DOI>
10.3390/M1298

$$$$

File : molbank-2021-M1298-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 3 N  2.093566 0.756059 -0.013871 0
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M  V30 16 O  -2.320606 1.734325 0.022972 0
M  V30 17 O  -1.080817 3.576389 0.026835 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 5 2 5 1
M  V30 13 1 1 13
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 11 1 4 11
M  V30 6 1 6 7
M  V30 10 1 10 6
M  V30 18 1 6 11
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 12 1 8 12
M  V30 9 2 9 10
M  V30 14 2 12 14
M  V30 15 1 12 15
M  V30 16 2 13 16
M  V30 17 1 13 17
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1298-s002-mod

>  <DOI>
10.3390/M1298

$$$$

File : molbank-2021-M1297-s002.mol

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M  CHG  8   7   1  10  -1  21   1  26  -1  27   1  29  -1  30   1  32  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  27  28  29
M  SBL   1  1  33
M  SMT   1 NO2
M  SBV   1 33   -8.7245    7.0561
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  30  31  32
M  SBL   2  1  36
M  SMT   2 NO2
M  SBV   2 36   -8.7245    5.4061
M  END
>  <MOL_ID>
molbank-2021-M1297-s002

>  <DOI>
10.3390/M1297

$$$$

File : molbank-2021-M1297-s002-mod.mol

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M  CHG  8   7   1  10  -1  21   1  26  -1  27   1  29  -1  30   1  32  -1
M  STY  1   1 SUP
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M  SAL   2  3  30  31  32
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M  SBV   2 36   -8.7245    5.4061
M  END
>  <MOL_ID>
molbank-2021-M1297-s002-mod

>  <DOI>
10.3390/M1297

$$$$

File : molbank-2021-M1296-s005.mol

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M  END
>  <MOL_ID>
molbank-2021-M1296-s005

>  <DOI>
10.3390/M1296

$$$$

File : molbank-2021-M1296-s005-mod.mol

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>  <DOI>
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marinedrugs-11-04050-s006

>  <DOI>
10.3390/md11104050

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marinedrugs-11-04050-s006-mod

>  <DOI>
10.3390/md11104050

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>  <DOI>
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>  <MOL_ID>
marinedrugs-11-04050-s005-mod

>  <DOI>
10.3390/md11104050

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>  <MOL_ID>
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>  <DOI>
10.3390/md11104050

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marinedrugs-11-04035-s003

>  <DOI>
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marinedrugs-11-04035-s003-mod

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>  <DOI>
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M  END
>  <MOL_ID>
marinedrugs-11-04035-s002-mod

>  <DOI>
10.3390/md11104035

$$$$

File : marinedrugs-11-03891-s005.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03891-s005

>  <DOI>
10.3390/md11103891

$$$$

File : marinedrugs-11-03891-s005-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03891-s005-mod

>  <DOI>
10.3390/md11103891

$$$$

File : marinedrugs-11-03891-s004.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03891-s004

>  <DOI>
10.3390/md11103891

$$$$

File : marinedrugs-11-03891-s004-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03891-s004-mod

>  <DOI>
10.3390/md11103891

$$$$

File : marinedrugs-11-03891-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03891-s003

>  <DOI>
10.3390/md11103891

$$$$

File : marinedrugs-11-03891-s003-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03891-s003-mod

>  <DOI>
10.3390/md11103891

$$$$

File : marinedrugs-11-03891-s002.mol

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M  CHG  2  87   1  89  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  5  80  81  82  83  84
M  SBL   1  1  88
M  SMT   1 NHOCOCH3
M  SBV   1 88   -6.3634    9.2914
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  85  86
M  SBL   2  1  93
M  SMT   2 CHO
M  SBV   2 93   -6.7199    8.6729
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  87  88  89
M  SBL   3  1  95
M  SMT   3 NO2
M  SBV   3 95   -6.3634    8.0548
M  END
>  <MOL_ID>
marinedrugs-11-03891-s002

>  <DOI>
10.3390/md11103891

$$$$

File : marinedrugs-11-03891-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-03891-s002-mod

>  <DOI>
10.3390/md11103891

$$$$

File : marinedrugs-11-03875-s004.mol

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>  <MOL_ID>
marinedrugs-11-03875-s004

>  <DOI>
10.3390/md11103875

$$$$

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>  <MOL_ID>
marinedrugs-11-03875-s004-mod

>  <DOI>
10.3390/md11103875

$$$$

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>  <MOL_ID>
marinedrugs-11-03875-s003

>  <DOI>
10.3390/md11103875

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-03875-s003-mod

>  <DOI>
10.3390/md11103875

$$$$

File : marinedrugs-11-03875-s002.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3 164 165 166
M  SBL   1  1 174
M  SMT   1 COOH
M  SBV   1174  -10.6321    7.3587
M  END
>  <MOL_ID>
marinedrugs-11-03875-s002

>  <DOI>
10.3390/md11103875

$$$$

File : marinedrugs-11-03875-s002-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03875-s002-mod

>  <DOI>
10.3390/md11103875

$$$$

File : marinedrugs-11-03802-s005.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03802-s005

>  <DOI>
10.3390/md11103802

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-03802-s005-mod

>  <DOI>
10.3390/md11103802

$$$$

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>  <MOL_ID>
marinedrugs-11-03802-s004

>  <DOI>
10.3390/md11103802

$$$$

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>  <MOL_ID>
marinedrugs-11-03802-s004-mod

>  <DOI>
10.3390/md11103802

$$$$

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>  <MOL_ID>
marinedrugs-11-03802-s003

>  <DOI>
10.3390/md11103802

$$$$

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>  <MOL_ID>
marinedrugs-11-03802-s003-mod

>  <DOI>
10.3390/md11103802

$$$$

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>  <MOL_ID>
marinedrugs-11-03802-s002

>  <DOI>
10.3390/md11103802

$$$$

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>  <MOL_ID>
marinedrugs-11-03802-s002-mod

>  <DOI>
10.3390/md11103802

$$$$

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>  <MOL_ID>
marinedrugs-11-03802-s001

>  <DOI>
10.3390/md11103802

$$$$

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>  <MOL_ID>
marinedrugs-11-03802-s001-mod

>  <DOI>
10.3390/md11103802

$$$$

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>  <MOL_ID>
marinedrugs-11-03735-s004

>  <DOI>
10.3390/md11103735

$$$$

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>  <MOL_ID>
marinedrugs-11-03735-s004-mod

>  <DOI>
10.3390/md11103735

$$$$

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marinedrugs-11-03661-s001

>  <DOI>
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>  <MOL_ID>
marinedrugs-11-03661-s001-mod

>  <DOI>
10.3390/md11103661

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>  <MOL_ID>
marinedrugs-11-03500-s001

>  <DOI>
10.3390/md11093500

$$$$

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>  <MOL_ID>
marinedrugs-11-03500-s001-mod

>  <DOI>
10.3390/md11093500

$$$$

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>  <MOL_ID>
marinedrugs-11-03472-s003

>  <DOI>
10.3390/md11093472

$$$$

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>  <MOL_ID>
marinedrugs-11-03472-s003-mod

>  <DOI>
10.3390/md11093472

$$$$

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>  <MOL_ID>
marinedrugs-11-03472-s002

>  <DOI>
10.3390/md11093472

$$$$

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>  <MOL_ID>
marinedrugs-11-03472-s002-mod

>  <DOI>
10.3390/md11093472

$$$$

File : marinedrugs-11-03472-s001.mol

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>  <MOL_ID>
marinedrugs-11-03472-s001

>  <DOI>
10.3390/md11093472

$$$$

File : marinedrugs-11-03472-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-03472-s001-mod

>  <DOI>
10.3390/md11093472

$$$$

File : marinedrugs-11-03410-s001.mol

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>  <MOL_ID>
marinedrugs-11-03410-s001

>  <DOI>
10.3390/md11093410

$$$$

File : marinedrugs-11-03410-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-03410-s001-mod

>  <DOI>
10.3390/md11093410

$$$$

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>  <MOL_ID>
marinedrugs-11-03372-s004

>  <DOI>
10.3390/md11093372

$$$$

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>  <MOL_ID>
marinedrugs-11-03372-s004-mod

>  <DOI>
10.3390/md11093372

$$$$

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>  <MOL_ID>
marinedrugs-11-03372-s003

>  <DOI>
10.3390/md11093372

$$$$

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>  <MOL_ID>
marinedrugs-11-03372-s003-mod

>  <DOI>
10.3390/md11093372

$$$$

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>  <MOL_ID>
marinedrugs-11-03372-s002

>  <DOI>
10.3390/md11093372

$$$$

File : marinedrugs-11-03372-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-03372-s002-mod

>  <DOI>
10.3390/md11093372

$$$$

File : marinedrugs-11-03350-s002.mol

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>  <MOL_ID>
marinedrugs-11-03350-s002

>  <DOI>
10.3390/md11093350

$$$$

File : marinedrugs-11-03350-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-03350-s002-mod

>  <DOI>
10.3390/md11093350

$$$$

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>  <MOL_ID>
marinedrugs-11-03350-s001

>  <DOI>
10.3390/md11093350

$$$$

File : marinedrugs-11-03350-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-03350-s001-mod

>  <DOI>
10.3390/md11093350

$$$$

File : marinedrugs-11-03309-s008.mol

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>  <MOL_ID>
marinedrugs-11-03309-s008

>  <DOI>
10.3390/md11093309

$$$$

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>  <MOL_ID>
marinedrugs-11-03309-s008-mod

>  <DOI>
10.3390/md11093309

$$$$

File : marinedrugs-11-03309-s007.mol

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>  <MOL_ID>
marinedrugs-11-03309-s007

>  <DOI>
10.3390/md11093309

$$$$

File : marinedrugs-11-03309-s007-mod.mol

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>  <MOL_ID>
marinedrugs-11-03309-s007-mod

>  <DOI>
10.3390/md11093309

$$$$

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>  <MOL_ID>
marinedrugs-11-03309-s006

>  <DOI>
10.3390/md11093309

$$$$

File : marinedrugs-11-03309-s006-mod.mol

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>  <MOL_ID>
marinedrugs-11-03309-s006-mod

>  <DOI>
10.3390/md11093309

$$$$

File : marinedrugs-11-03309-s005.mol

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>  <MOL_ID>
marinedrugs-11-03309-s005

>  <DOI>
10.3390/md11093309

$$$$

File : marinedrugs-11-03309-s005-mod.mol

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>  <MOL_ID>
marinedrugs-11-03309-s005-mod

>  <DOI>
10.3390/md11093309

$$$$

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>  <MOL_ID>
marinedrugs-11-03309-s004

>  <DOI>
10.3390/md11093309

$$$$

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>  <MOL_ID>
marinedrugs-11-03309-s004-mod

>  <DOI>
10.3390/md11093309

$$$$

File : marinedrugs-11-03309-s003.mol

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>  <MOL_ID>
marinedrugs-11-03309-s003

>  <DOI>
10.3390/md11093309

$$$$

File : marinedrugs-11-03309-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-03309-s003-mod

>  <DOI>
10.3390/md11093309

$$$$

File : marinedrugs-11-03309-s002.mol

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>  <MOL_ID>
marinedrugs-11-03309-s002

>  <DOI>
10.3390/md11093309

$$$$

File : marinedrugs-11-03309-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-03309-s002-mod

>  <DOI>
10.3390/md11093309

$$$$

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>  <MOL_ID>
marinedrugs-11-03297-s003

>  <DOI>
10.3390/md11093297

$$$$

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>  <MOL_ID>
marinedrugs-11-03297-s003-mod

>  <DOI>
10.3390/md11093297

$$$$

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>  <MOL_ID>
marinedrugs-11-03297-s002

>  <DOI>
10.3390/md11093297

$$$$

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>  <MOL_ID>
marinedrugs-11-03297-s002-mod

>  <DOI>
10.3390/md11093297

$$$$

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>  <MOL_ID>
marinedrugs-11-03297-s001

>  <DOI>
10.3390/md11093297

$$$$

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>  <MOL_ID>
marinedrugs-11-03297-s001-mod

>  <DOI>
10.3390/md11093297

$$$$

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marinedrugs-11-03288-s007

>  <DOI>
10.3390/md11093288

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>  <MOL_ID>
marinedrugs-11-03288-s007-mod

>  <DOI>
10.3390/md11093288

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marinedrugs-11-03288-s006

>  <DOI>
10.3390/md11093288

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>  <MOL_ID>
marinedrugs-11-03288-s006-mod

>  <DOI>
10.3390/md11093288

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>  <MOL_ID>
marinedrugs-11-03288-s005

>  <DOI>
10.3390/md11093288

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>  <MOL_ID>
marinedrugs-11-03288-s005-mod

>  <DOI>
10.3390/md11093288

$$$$

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>  <MOL_ID>
marinedrugs-11-03288-s004

>  <DOI>
10.3390/md11093288

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>  <MOL_ID>
marinedrugs-11-03288-s004-mod

>  <DOI>
10.3390/md11093288

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>  <MOL_ID>
marinedrugs-11-03288-s003

>  <DOI>
10.3390/md11093288

$$$$

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>  <MOL_ID>
marinedrugs-11-03288-s003-mod

>  <DOI>
10.3390/md11093288

$$$$

File : marinedrugs-11-03288-s002.mol

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>  <MOL_ID>
marinedrugs-11-03288-s002

>  <DOI>
10.3390/md11093288

$$$$

File : marinedrugs-11-03288-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-03288-s002-mod

>  <DOI>
10.3390/md11093288

$$$$

File : marinedrugs-11-03258-s007.mol

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>  <MOL_ID>
marinedrugs-11-03258-s007

>  <DOI>
10.3390/md11093258

$$$$

File : marinedrugs-11-03258-s007-mod.mol

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>  <MOL_ID>
marinedrugs-11-03258-s007-mod

>  <DOI>
10.3390/md11093258

$$$$

File : marinedrugs-11-03258-s006.mol

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>  <MOL_ID>
marinedrugs-11-03258-s006

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03258-s006-mod

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03258-s005

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03258-s005-mod

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03258-s004

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03258-s004-mod

>  <DOI>
10.3390/md11093258

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marinedrugs-11-03258-s003

>  <DOI>
10.3390/md11093258

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>  <MOL_ID>
marinedrugs-11-03258-s003-mod

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03258-s002

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03258-s002-mod

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03258-s001

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03258-s001-mod

>  <DOI>
10.3390/md11093258

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s005

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s005-mod

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s004

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s004-mod

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s003

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s003-mod

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s002

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s002-mod

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s001

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03209-s001-mod

>  <DOI>
10.3390/md11093209

$$$$

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>  <MOL_ID>
marinedrugs-11-03186-s005

>  <DOI>
10.3390/md11093186

$$$$

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>  <MOL_ID>
marinedrugs-11-03186-s005-mod

>  <DOI>
10.3390/md11093186

$$$$

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10.3390/md11093186

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>  <MOL_ID>
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>  <DOI>
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>  <MOL_ID>
marinedrugs-11-03168-s002

>  <DOI>
10.3390/md11093168

$$$$

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>  <MOL_ID>
marinedrugs-11-03168-s002-mod

>  <DOI>
10.3390/md11093168

$$$$

File : marinedrugs-11-03124-s002.mol

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>  <MOL_ID>
marinedrugs-11-03124-s002

>  <DOI>
10.3390/md11093124

$$$$

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>  <MOL_ID>
marinedrugs-11-03124-s002-mod

>  <DOI>
10.3390/md11093124

$$$$

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>  <MOL_ID>
marinedrugs-11-03109-s010

>  <DOI>
10.3390/md11093109

$$$$

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>  <MOL_ID>
marinedrugs-11-03109-s010-mod

>  <DOI>
10.3390/md11093109

$$$$

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>  <MOL_ID>
marinedrugs-11-03109-s009

>  <DOI>
10.3390/md11093109

$$$$

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marinedrugs-11-03109-s008-mod

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marinedrugs-11-03109-s007

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marinedrugs-11-03109-s007-mod

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>  <DOI>
10.3390/md11093109

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marinedrugs-11-03109-s006-mod

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10.3390/md11093109

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>  <DOI>
10.3390/md11093109

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>  <MOL_ID>
marinedrugs-11-03109-s005-mod

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>  <MOL_ID>
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>  <DOI>
10.3390/md11093109

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>  <MOL_ID>
marinedrugs-11-03109-s003-mod

>  <DOI>
10.3390/md11093109

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marinedrugs-11-03109-s002

>  <DOI>
10.3390/md11093109

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>  <MOL_ID>
marinedrugs-11-03109-s002-mod

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10.3390/md11093109

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marinedrugs-11-03068-s005

>  <DOI>
10.3390/md11083068

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>  <MOL_ID>
marinedrugs-11-03068-s005-mod

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>  <MOL_ID>
marinedrugs-11-03068-s004

>  <DOI>
10.3390/md11083068

$$$$

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>  <MOL_ID>
marinedrugs-11-03068-s004-mod

>  <DOI>
10.3390/md11083068

$$$$

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marinedrugs-11-03068-s003

>  <DOI>
10.3390/md11083068

$$$$

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marinedrugs-11-03046-s003-mod

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marinedrugs-11-03046-s002

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>  <DOI>
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M  END
>  <MOL_ID>
marinedrugs-11-03025-s004

>  <DOI>
10.3390/md11083025

$$$$

File : marinedrugs-11-03025-s004-mod.mol

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>  <MOL_ID>
marinedrugs-11-03025-s004-mod

>  <DOI>
10.3390/md11083025

$$$$

File : marinedrugs-11-03025-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03025-s003

>  <DOI>
10.3390/md11083025

$$$$

File : marinedrugs-11-03025-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-03025-s003-mod

>  <DOI>
10.3390/md11083025

$$$$

File : marinedrugs-11-03025-s002.mol

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>  <MOL_ID>
marinedrugs-11-03025-s002

>  <DOI>
10.3390/md11083025

$$$$

File : marinedrugs-11-03025-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-03025-s002-mod

>  <DOI>
10.3390/md11083025

$$$$

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>  <MOL_ID>
marinedrugs-11-03015-s004

>  <DOI>
10.3390/md11083015

$$$$

File : marinedrugs-11-03015-s004-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03015-s004-mod

>  <DOI>
10.3390/md11083015

$$$$

File : marinedrugs-11-03015-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-03015-s003

>  <DOI>
10.3390/md11083015

$$$$

File : marinedrugs-11-03015-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-03015-s003-mod

>  <DOI>
10.3390/md11083015

$$$$

File : marinedrugs-11-03015-s002.mol

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>  <MOL_ID>
marinedrugs-11-03015-s002

>  <DOI>
10.3390/md11083015

$$$$

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>  <MOL_ID>
marinedrugs-11-03015-s002-mod

>  <DOI>
10.3390/md11083015

$$$$

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>  <MOL_ID>
marinedrugs-11-03015-s001

>  <DOI>
10.3390/md11083015

$$$$

File : marinedrugs-11-03015-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-03015-s001-mod

>  <DOI>
10.3390/md11083015

$$$$

File : marinedrugs-11-02927-s005.mol

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>  <MOL_ID>
marinedrugs-11-02927-s005

>  <DOI>
10.3390/md11082927

$$$$

File : marinedrugs-11-02927-s005-mod.mol

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>  <MOL_ID>
marinedrugs-11-02927-s005-mod

>  <DOI>
10.3390/md11082927

$$$$

File : marinedrugs-11-02927-s004.mol

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>  <MOL_ID>
marinedrugs-11-02927-s004

>  <DOI>
10.3390/md11082927

$$$$

File : marinedrugs-11-02927-s004-mod.mol

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>  <MOL_ID>
marinedrugs-11-02927-s004-mod

>  <DOI>
10.3390/md11082927

$$$$

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M  SBL   7  1  65
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M  END
>  <MOL_ID>
marinedrugs-11-02927-s003

>  <DOI>
10.3390/md11082927

$$$$

File : marinedrugs-11-02927-s003-mod.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  36
M  SMT   1 OMe
M  SBV   1 36   -7.8920    6.1426
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  34  35  36  37
M  SBL   2  1  40
M  SMT   2 CF3
M  SBV   2 40   -7.5996    6.6477
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  38  39  40  41
M  SBL   3  1  44
M  SMT   3 CF3
M  SBV   3 44   -8.1009    5.4388
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4 11  42  43  44  45  46  47  48  49  50  51  52
M  SBL   4  2  56  57
M  SMT   4 NTs
M  SBV   4 56   -7.9833    5.7005
M  SBV   4 57   -7.0394    6.6444
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  53  54
M  SBL   5  1  58
M  SMT   5 OMe
M  SBV   5 58   -6.6159    6.0574
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  4  55  56  57  58
M  SBL   6  1  63
M  SMT   6 CF3
M  SBV   6 63   -6.6723    5.4389
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  59  60
M  SBL   7  1  65
M  SMT   7 OMe
M  SBV   7 65   -7.0292    6.4702
M  END
>  <MOL_ID>
marinedrugs-11-02927-s003-mod

>  <DOI>
10.3390/md11082927

$$$$

File : marinedrugs-11-02927-s002.mol

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M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  35
M  SMT   1 OMe
M  SBV   1 35   -8.0690    5.4852
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  38
M  SMT   2 OMe
M  SBV   2 38   -6.9147    5.2789
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  8  35  36  37  38  39  40  41  42
M  SBL   3  1  47
M  SMT   3 OBn
M  SBV   3 47   -7.4781    5.8425
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  8  43  44  45  46  47  48  49  50
M  SBL   4  1  56
M  SMT   4 OBn
M  SBV   4 56   -6.5816    5.3006
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  51  52
M  SBL   5  1  58
M  SMT   5 OMe
M  SBV   5 58   -8.0829    5.3780
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  8  53  54  55  56  57  58  59  60
M  SBL   6  1  67
M  SMT   6 OBn
M  SBV   6 67   -6.4618    5.5920
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7 11  61  62  63  64  65  66  67  68  69  70  71
M  SBL   7  2  79  80
M  SMT   7 NTs
M  SBV   7 79   -7.8692    5.3343
M  SBV   7 80   -6.9253    6.2782
M  END
>  <MOL_ID>
marinedrugs-11-02927-s002

>  <DOI>
10.3390/md11082927

$$$$

File : marinedrugs-11-02927-s002-mod.mol

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M  SMT   6 OBn
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M  SMT   7 NTs
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M  END
>  <MOL_ID>
marinedrugs-11-02927-s002-mod

>  <DOI>
10.3390/md11082927

$$$$

File : marinedrugs-11-02917-s006.mol

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>  <MOL_ID>
marinedrugs-11-02917-s006

>  <DOI>
10.3390/md11082917

$$$$

File : marinedrugs-11-02917-s006-mod.mol

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>  <MOL_ID>
marinedrugs-11-02917-s006-mod

>  <DOI>
10.3390/md11082917

$$$$

File : marinedrugs-11-02917-s005.mol

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>  <MOL_ID>
marinedrugs-11-02917-s005

>  <DOI>
10.3390/md11082917

$$$$

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>  <MOL_ID>
marinedrugs-11-02917-s005-mod

>  <DOI>
10.3390/md11082917

$$$$

File : marinedrugs-11-02917-s004.mol

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>  <MOL_ID>
marinedrugs-11-02917-s004

>  <DOI>
10.3390/md11082917

$$$$

File : marinedrugs-11-02917-s004-mod.mol

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>  <MOL_ID>
marinedrugs-11-02917-s004-mod

>  <DOI>
10.3390/md11082917

$$$$

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>  <MOL_ID>
marinedrugs-11-02917-s003

>  <DOI>
10.3390/md11082917

$$$$

File : marinedrugs-11-02917-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-02917-s003-mod

>  <DOI>
10.3390/md11082917

$$$$

File : marinedrugs-11-02917-s002.mol

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>  <MOL_ID>
marinedrugs-11-02917-s002

>  <DOI>
10.3390/md11082917

$$$$

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>  <MOL_ID>
marinedrugs-11-02917-s002-mod

>  <DOI>
10.3390/md11082917

$$$$

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>  <MOL_ID>
marinedrugs-11-02917-s001

>  <DOI>
10.3390/md11082917

$$$$

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>  <MOL_ID>
marinedrugs-11-02917-s001-mod

>  <DOI>
10.3390/md11082917

$$$$

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marinedrugs-11-02882-s005

>  <DOI>
10.3390/md11082882

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marinedrugs-11-02882-s005-mod

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marinedrugs-11-02882-s004

>  <DOI>
10.3390/md11082882

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marinedrugs-11-02882-s004-mod

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marinedrugs-11-02882-s003

>  <DOI>
10.3390/md11082882

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marinedrugs-11-02882-s003-mod

>  <DOI>
10.3390/md11082882

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>  <MOL_ID>
marinedrugs-11-02882-s002

>  <DOI>
10.3390/md11082882

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>  <MOL_ID>
marinedrugs-11-02882-s002-mod

>  <DOI>
10.3390/md11082882

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>  <MOL_ID>
marinedrugs-11-02799-s011

>  <DOI>
10.3390/md11082799

$$$$

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>  <MOL_ID>
marinedrugs-11-02799-s011-mod

>  <DOI>
10.3390/md11082799

$$$$

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>  <MOL_ID>
marinedrugs-11-02799-s010

>  <DOI>
10.3390/md11082799

$$$$

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>  <MOL_ID>
marinedrugs-11-02799-s010-mod

>  <DOI>
10.3390/md11082799

$$$$

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>  <MOL_ID>
marinedrugs-11-02799-s009

>  <DOI>
10.3390/md11082799

$$$$

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>  <MOL_ID>
marinedrugs-11-02799-s009-mod

>  <DOI>
10.3390/md11082799

$$$$

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>  <MOL_ID>
marinedrugs-11-02799-s008

>  <DOI>
10.3390/md11082799

$$$$

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>  <MOL_ID>
marinedrugs-11-02799-s008-mod

>  <DOI>
10.3390/md11082799

$$$$

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>  <MOL_ID>
marinedrugs-11-02799-s007

>  <DOI>
10.3390/md11082799

$$$$

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marinedrugs-11-02799-s007-mod

>  <DOI>
10.3390/md11082799

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>  <MOL_ID>
marinedrugs-11-02799-s006

>  <DOI>
10.3390/md11082799

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marinedrugs-11-02799-s006-mod

>  <DOI>
10.3390/md11082799

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marinedrugs-11-02799-s005

>  <DOI>
10.3390/md11082799

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>  <MOL_ID>
marinedrugs-11-02799-s005-mod

>  <DOI>
10.3390/md11082799

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-02799-s004

>  <DOI>
10.3390/md11082799

$$$$

File : marinedrugs-11-02799-s004-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02799-s004-mod

>  <DOI>
10.3390/md11082799

$$$$

File : marinedrugs-11-02799-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02799-s003

>  <DOI>
10.3390/md11082799

$$$$

File : marinedrugs-11-02799-s003-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02799-s003-mod

>  <DOI>
10.3390/md11082799

$$$$

File : marinedrugs-11-02799-s002.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02799-s002

>  <DOI>
10.3390/md11082799

$$$$

File : marinedrugs-11-02799-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-02799-s002-mod

>  <DOI>
10.3390/md11082799

$$$$

File : marinedrugs-11-02799-s001.mol

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>  <MOL_ID>
marinedrugs-11-02799-s001

>  <DOI>
10.3390/md11082799

$$$$

File : marinedrugs-11-02799-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-02799-s001-mod

>  <DOI>
10.3390/md11082799

$$$$

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>  <MOL_ID>
marinedrugs-11-02769-s005

>  <DOI>
10.3390/md11082769

$$$$

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>  <DOI>
10.3390/md11082741

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marinedrugs-11-02741-s003-mod

>  <DOI>
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>  <DOI>
10.3390/md11082741

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>  <MOL_ID>
marinedrugs-11-02741-s002-mod

>  <DOI>
10.3390/md11082741

$$$$

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>  <MOL_ID>
marinedrugs-11-02741-s001

>  <DOI>
10.3390/md11082741

$$$$

File : marinedrugs-11-02741-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-02741-s001-mod

>  <DOI>
10.3390/md11082741

$$$$

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>  <MOL_ID>
marinedrugs-11-02713-s003

>  <DOI>
10.3390/md11082713

$$$$

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>  <MOL_ID>
marinedrugs-11-02713-s003-mod

>  <DOI>
10.3390/md11082713

$$$$

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>  <MOL_ID>
marinedrugs-11-02713-s001

>  <DOI>
10.3390/md11082713

$$$$

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>  <MOL_ID>
marinedrugs-11-02713-s001-mod

>  <DOI>
10.3390/md11082713

$$$$

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>  <MOL_ID>
marinedrugs-11-02695-s004

>  <DOI>
10.3390/md11082695

$$$$

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>  <MOL_ID>
marinedrugs-11-02695-s004-mod

>  <DOI>
10.3390/md11082695

$$$$

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>  <MOL_ID>
marinedrugs-11-02695-s003

>  <DOI>
10.3390/md11082695

$$$$

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>  <MOL_ID>
marinedrugs-11-02695-s003-mod

>  <DOI>
10.3390/md11082695

$$$$

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>  <MOL_ID>
marinedrugs-11-02695-s002

>  <DOI>
10.3390/md11082695

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>  <MOL_ID>
marinedrugs-11-02695-s002-mod

>  <DOI>
10.3390/md11082695

$$$$

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>  <MOL_ID>
marinedrugs-11-02695-s001

>  <DOI>
10.3390/md11082695

$$$$

File : marinedrugs-11-02695-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-02695-s001-mod

>  <DOI>
10.3390/md11082695

$$$$

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>  <MOL_ID>
marinedrugs-11-02682-s004

>  <DOI>
10.3390/md11072682

$$$$

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>  <MOL_ID>
marinedrugs-11-02682-s004-mod

>  <DOI>
10.3390/md11072682

$$$$

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>  <MOL_ID>
marinedrugs-11-02682-s003

>  <DOI>
10.3390/md11072682

$$$$

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>  <MOL_ID>
marinedrugs-11-02682-s003-mod

>  <DOI>
10.3390/md11072682

$$$$

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>  <MOL_ID>
marinedrugs-11-02682-s002

>  <DOI>
10.3390/md11072682

$$$$

File : marinedrugs-11-02682-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-02682-s002-mod

>  <DOI>
10.3390/md11072682

$$$$

File : marinedrugs-11-02667-s001.mol

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>  <MOL_ID>
marinedrugs-11-02667-s001

>  <DOI>
10.3390/md11072667

$$$$

File : marinedrugs-11-02667-s001-mod.mol

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marinedrugs-11-02667-s001-mod

>  <DOI>
10.3390/md11072667

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marinedrugs-11-02655-s002-mod

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>  <MOL_ID>
marinedrugs-11-02655-s001

>  <DOI>
10.3390/md11072655

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marinedrugs-11-02655-s001-mod

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10.3390/md11072655

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M  SBL   1  1  63
M  SMT   1 COOH
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M  STY  1   2 SUP
M  SLB  1   2   2
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M  SBL   2  1  67
M  SMT   2 OCH3
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  67  68  69
M  SBL   3  1  70
M  SMT   3 COOH
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  3  70  71  72
M  SBL   4  2  73  74
M  SMT   4 NR2
M  SBV   4 73   -8.4567    7.0610
M  SBV   4 74   -9.8856    7.0610
M  END
>  <MOL_ID>
marinedrugs-11-02643-s005

>  <DOI>
10.3390/md11072643

$$$$

File : marinedrugs-11-02643-s005-mod.mol

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M  SBL   2  1  67
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M  SBL   3  1  70
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M  SAL   4  3  70  71  72
M  SBL   4  2  73  74
M  SMT   4 NR2
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M  SBV   4 74   -9.8856    7.0610
M  END
>  <MOL_ID>
marinedrugs-11-02643-s005-mod

>  <DOI>
10.3390/md11072643

$$$$

File : marinedrugs-11-02643-s004.mol

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M  SBL   2  1  69
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  70  71  72
M  SBL   3  1  74
M  SMT   3 COOH
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  3  73  74  75
M  SBL   4  2  77  78
M  SMT   4 NR2
M  SBV   4 77   -8.6151    7.1551
M  SBV   4 78  -10.0439    7.1551
M  END
>  <MOL_ID>
marinedrugs-11-02643-s004

>  <DOI>
10.3390/md11072643

$$$$

File : marinedrugs-11-02643-s004-mod.mol

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M  SBV   4 78  -10.0439    7.1551
M  END
>  <MOL_ID>
marinedrugs-11-02643-s004-mod

>  <DOI>
10.3390/md11072643

$$$$

File : marinedrugs-11-02643-s003.mol

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M  STY  1   3 SUP
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  71  72
M  SBL   4  1  73
M  SMT   4 OCH3
M  SBV   4 73   -8.0216    7.6997
M  END
>  <MOL_ID>
marinedrugs-11-02643-s003

>  <DOI>
10.3390/md11072643

$$$$

File : marinedrugs-11-02643-s003-mod.mol

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M  SMT   4 OCH3
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M  END
>  <MOL_ID>
marinedrugs-11-02643-s003-mod

>  <DOI>
10.3390/md11072643

$$$$

File : marinedrugs-11-02643-s002.mol

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M  SMT   2 COOH
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M  STY  1   3 SUP
M  SLB  1   3   3
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M  SBL   3  1  72
M  SMT   3 COOH
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  74  75
M  SBL   4  1  76
M  SMT   4 OCH3
M  SBV   4 76   -9.5006    7.7926
M  END
>  <MOL_ID>
marinedrugs-11-02643-s002

>  <DOI>
10.3390/md11072643

$$$$

File : marinedrugs-11-02643-s002-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02643-s002-mod

>  <DOI>
10.3390/md11072643

$$$$

File : marinedrugs-11-02616-s011.mol

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>  <MOL_ID>
marinedrugs-11-02616-s011

>  <DOI>
10.3390/md11072616

$$$$

File : marinedrugs-11-02616-s011-mod.mol

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>  <MOL_ID>
marinedrugs-11-02616-s011-mod

>  <DOI>
10.3390/md11072616

$$$$

File : marinedrugs-11-02616-s010.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02616-s010

>  <DOI>
10.3390/md11072616

$$$$

File : marinedrugs-11-02616-s010-mod.mol

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M  STY  1   3 SUP
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M  SMT   3 Me
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M  STY  1   4 SUP
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M  SAL   4  1  41
M  SBL   4  1  44
M  SMT   4 Me
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M  END
>  <MOL_ID>
marinedrugs-11-02616-s010-mod

>  <DOI>
10.3390/md11072616

$$$$

File : marinedrugs-11-02616-s009.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02616-s009

>  <DOI>
10.3390/md11072616

$$$$

File : marinedrugs-11-02616-s009-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02616-s009-mod

>  <DOI>
10.3390/md11072616

$$$$

File : marinedrugs-11-02616-s008.mol

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>  <MOL_ID>
marinedrugs-11-02616-s008

>  <DOI>
10.3390/md11072616

$$$$

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>  <MOL_ID>
marinedrugs-11-02616-s008-mod

>  <DOI>
10.3390/md11072616

$$$$

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>  <MOL_ID>
marinedrugs-11-02616-s007

>  <DOI>
10.3390/md11072616

$$$$

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>  <MOL_ID>
marinedrugs-11-02616-s007-mod

>  <DOI>
10.3390/md11072616

$$$$

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>  <MOL_ID>
marinedrugs-11-02616-s006

>  <DOI>
10.3390/md11072616

$$$$

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>  <MOL_ID>
marinedrugs-11-02616-s006-mod

>  <DOI>
10.3390/md11072616

$$$$

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>  <MOL_ID>
marinedrugs-11-02616-s005

>  <DOI>
10.3390/md11072616

$$$$

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marinedrugs-11-02616-s005-mod

>  <DOI>
10.3390/md11072616

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>  <MOL_ID>
marinedrugs-11-02616-s004

>  <DOI>
10.3390/md11072616

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>  <MOL_ID>
marinedrugs-11-02616-s004-mod

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10.3390/md11072616

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>  <MOL_ID>
marinedrugs-11-02616-s003

>  <DOI>
10.3390/md11072616

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>  <MOL_ID>
marinedrugs-11-02616-s003-mod

>  <DOI>
10.3390/md11072616

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>  <MOL_ID>
marinedrugs-11-02616-s002

>  <DOI>
10.3390/md11072616

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>  <MOL_ID>
marinedrugs-11-02616-s002-mod

>  <DOI>
10.3390/md11072616

$$$$

File : marinedrugs-11-02574-s001.mol

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>  <MOL_ID>
marinedrugs-11-02574-s001

>  <DOI>
10.3390/md11072574

$$$$

File : marinedrugs-11-02574-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-02574-s001-mod

>  <DOI>
10.3390/md11072574

$$$$

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>  <MOL_ID>
marinedrugs-11-02501-s004

>  <DOI>
10.3390/md11072501

$$$$

File : marinedrugs-11-02501-s004-mod.mol

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>  <MOL_ID>
marinedrugs-11-02501-s004-mod

>  <DOI>
10.3390/md11072501

$$$$

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>  <MOL_ID>
marinedrugs-11-02501-s003

>  <DOI>
10.3390/md11072501

$$$$

File : marinedrugs-11-02501-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-02501-s003-mod

>  <DOI>
10.3390/md11072501

$$$$

File : marinedrugs-11-02501-s002.mol

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>  <MOL_ID>
marinedrugs-11-02501-s002

>  <DOI>
10.3390/md11072501

$$$$

File : marinedrugs-11-02501-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-02501-s002-mod

>  <DOI>
10.3390/md11072501

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-02472-s001

>  <DOI>
10.3390/md11072472

$$$$

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   10.3284   -3.9908    1.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2299   -5.1763    1.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7846   -7.4005    1.7767 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3438  -13.9547   -0.6190 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7769   -7.8538   -2.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6048  -15.9859    3.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9171  -15.3151    3.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2695  -16.2563    4.1165 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0455  -10.2901    3.5318 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3169  -10.6397    4.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  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
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
  6 19  1  0
  7 20  2  0
 10 21  1  0
 13 22  1  0
 14 23  1  0
 18 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  2  0
 26 28  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 30 32  1  0
 31 33  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 34  1  0
 22 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  1  0
 39 47  2  0
 41 48  1  0
 46 49  1  0
 49 36  1  0
 46 50  1  0
 45 51  2  0
  5 52  1  0
 52 53  1  0
 11 54  1  0
 54 55  1  0
  1 56  1  0
  1 57  1  0
 57 58  2  0
 49 59  1  0
 59 60  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  52  53
M  SBL   1  1  55
M  SMT   1 OMe
M  SBV   1 55   -8.6915    7.1303
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  54  55
M  SBL   2  1  57
M  SMT   2 OMe
M  SBV   2 57   -8.6910    7.1303
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  56
M  SBL   3  1  59
M  SMT   3 Me
M  SBV   3 59   -9.0480    6.5115
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  57  58
M  SBL   4  1  60
M  SMT   4 CHO
M  SBV   4 60   -9.4054    7.9551
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  59  60
M  SBL   5  1  62
M  SMT   5 OMe
M  SBV   5 62   -8.4845    7.1864
M  END
>  <MOL_ID>
marinedrugs-11-02472-s001-mod

>  <DOI>
10.3390/md11072472

$$$$

File : marinedrugs-11-02444-s004.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6  28  29  30  31  32  33
M  SBL   1  1  31
M  SMT   1 OSO3Na
M  SBV   1 31   -7.2418    3.9779
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  6  34  35  36  37  38  39
M  SBL   2  1  42
M  SMT   2 OSO3Na
M  SBV   2 42   -8.0029    5.6816
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  40
M  SBL   3  1  43
M  SMT   3 Me
M  SBV   3 43   -7.8317    5.8121
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  6  41  42  43  44  45  46
M  SBL   4  1  49
M  SMT   4 OSO3Na
M  SBV   4 49   -7.8604    6.0255
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  1  47
M  SBL   5  1  50
M  SMT   5 Me
M  SBV   5 50   -7.7505    5.6142
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  1  48
M  SBL   6  1  51
M  SMT   6 Me
M  SBV   6 51   -7.8319    5.8128
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  6  49  50  51  52  53  54
M  SBL   7  1  52
M  SMT   7 OSO3Na
M  SBV   7 52   -7.2422    3.9780
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  6  55  56  57  58  59  60
M  SBL   8  1  58
M  SMT   8 OSO3Na
M  SBV   8 58   -7.2425    3.9780
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  6  61  62  63  64  65  66
M  SBL   9  1  69
M  SMT   9 OSO3Na
M  SBV   9 69   -8.0035    5.6815
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  6  67  68  69  70  71  72
M  SBL  10  1  75
M  SMT  10 OSO3Na
M  SBV  10 75   -8.0027    5.6818
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  6  73  74  75  76  77  78
M  SBL  11  1  76
M  SMT  11 OSO3Na
M  SBV  11 76   -7.2423    3.9783
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  1  79
M  SBL  12  1  82
M  SMT  12 Me
M  SBV  12 82   -7.8320    5.8128
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  4  80  81  82  83
M  SBL  13  1  83
M  SMT  13 OPr
M  SBV  13 83   -6.6780    6.6454
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14  6  84  85  86  87  88  89
M  SBL  14  1  92
M  SMT  14 OSO3Na
M  SBV  14 92   -7.7541    5.1511
M  STY  1  15 SRU
M  SLB  1  15  15
M  SCN  1  15 HT
M  SAL  15 15  73  67  40  79  28  41   6   7   8   9  10  11  13  14  15
M  SAL  15  5  16  17  18  19  26
M  SBL  15  2   7  17
M  SMT  15 3
M  SDI  15  4    1.2764    2.5677    2.1013    2.5677
M  SDI  15  4   -1.0317   -1.6425   -1.8565   -1.6425
M  END
>  <MOL_ID>
marinedrugs-11-02444-s004

>  <DOI>
10.3390/md11072444

$$$$

File : marinedrugs-11-02444-s004-mod.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  6  28  29  30  31  32  33
M  SBL   1  1  31
M  SMT   1 OSO3Na
M  SBV   1 31   -7.2418    3.9779
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  6  34  35  36  37  38  39
M  SBL   2  1  42
M  SMT   2 OSO3Na
M  SBV   2 42   -8.0029    5.6816
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  40
M  SBL   3  1  43
M  SMT   3 Me
M  SBV   3 43   -7.8317    5.8121
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  6  41  42  43  44  45  46
M  SBL   4  1  49
M  SMT   4 OSO3Na
M  SBV   4 49   -7.8604    6.0255
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  1  47
M  SBL   5  1  50
M  SMT   5 Me
M  SBV   5 50   -7.7505    5.6142
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  1  48
M  SBL   6  1  51
M  SMT   6 Me
M  SBV   6 51   -7.8319    5.8128
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  6  49  50  51  52  53  54
M  SBL   7  1  52
M  SMT   7 OSO3Na
M  SBV   7 52   -7.2422    3.9780
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  6  55  56  57  58  59  60
M  SBL   8  1  58
M  SMT   8 OSO3Na
M  SBV   8 58   -7.2425    3.9780
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  6  61  62  63  64  65  66
M  SBL   9  1  69
M  SMT   9 OSO3Na
M  SBV   9 69   -8.0035    5.6815
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  6  67  68  69  70  71  72
M  SBL  10  1  75
M  SMT  10 OSO3Na
M  SBV  10 75   -8.0027    5.6818
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  6  73  74  75  76  77  78
M  SBL  11  1  76
M  SMT  11 OSO3Na
M  SBV  11 76   -7.2423    3.9783
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  1  79
M  SBL  12  1  82
M  SMT  12 Me
M  SBV  12 82   -7.8320    5.8128
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  4  80  81  82  83
M  SBL  13  1  83
M  SMT  13 OPr
M  SBV  13 83   -6.6780    6.6454
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14  6  84  85  86  87  88  89
M  SBL  14  1  92
M  SMT  14 OSO3Na
M  SBV  14 92   -7.7541    5.1511
M  STY  1  15 SRU
M  SLB  1  15  15
M  SCN  1  15 HT
M  SAL  15 15  73  67  40  79  28  41   6   7   8   9  10  11  13  14  15
M  SAL  15  5  16  17  18  19  26
M  SBL  15  2   7  17
M  SMT  15 3
M  SDI  15  4    1.2764    2.5677    2.1013    2.5677
M  SDI  15  4   -1.0317   -1.6425   -1.8565   -1.6425
M  END
>  <MOL_ID>
marinedrugs-11-02444-s004-mod

>  <DOI>
10.3390/md11072444

$$$$

File : marinedrugs-11-02444-s003.mol

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M  SLB  1   1   1
M  SAL   1  1  48
M  SBL   1  1  52
M  SMT   1 Me
M  SBV   1 52   -9.3034    5.8543
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  49
M  SBL   2  1  53
M  SMT   2 Me
M  SBV   2 53   -9.3846    6.0523
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  50
M  SBL   3  1  54
M  SMT   3 Me
M  SBV   3 54   -9.3848    6.0530
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  51
M  SBL   4  1  55
M  SMT   4 Me
M  SBV   4 55   -9.3848    6.0530
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  4  52  53  54  55
M  SBL   5  1  56
M  SMT   5 COONa
M  SBV   5 56   -8.1899    6.2375
M  END
>  <MOL_ID>
marinedrugs-11-02444-s003

>  <DOI>
10.3390/md11072444

$$$$

File : marinedrugs-11-02444-s003-mod.mol

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  49
M  SBL   2  1  53
M  SMT   2 Me
M  SBV   2 53   -9.3846    6.0523
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  50
M  SBL   3  1  54
M  SMT   3 Me
M  SBV   3 54   -9.3848    6.0530
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  51
M  SBL   4  1  55
M  SMT   4 Me
M  SBV   4 55   -9.3848    6.0530
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  4  52  53  54  55
M  SBL   5  1  56
M  SMT   5 COONa
M  SBV   5 56   -8.1899    6.2375
M  END
>  <MOL_ID>
marinedrugs-11-02444-s003-mod

>  <DOI>
10.3390/md11072444

$$$$

File : marinedrugs-11-02444-s002.mol

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M  STY  1   3 SUP
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M  SMT   3 Me
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M  STY  1   4 SUP
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M  SBL   4  1  45
M  SMT   4 Me
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M  END
>  <MOL_ID>
marinedrugs-11-02444-s002

>  <DOI>
10.3390/md11072444

$$$$

File : marinedrugs-11-02444-s002-mod.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  1  39
M  SBL   1  1  42
M  SMT   1 Me
M  SBV   1 42   -8.2030    5.9183
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  40
M  SBL   2  1  43
M  SMT   2 Me
M  SBV   2 43   -8.2033    5.9190
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  41
M  SBL   3  1  44
M  SMT   3 Me
M  SBV   3 44   -8.2033    5.9190
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  42
M  SBL   4  1  45
M  SMT   4 Me
M  SBV   4 45   -8.1219    5.7203
M  END
>  <MOL_ID>
marinedrugs-11-02444-s002-mod

>  <DOI>
10.3390/md11072444

$$$$

File : marinedrugs-11-02444-s001.mol

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  49
M  SBL   2  1  53
M  SMT   2 Me
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  50
M  SBL   3  1  54
M  SMT   3 Me
M  SBV   3 54   -8.6880    5.8468
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  51
M  SBL   4  1  55
M  SMT   4 Me
M  SBV   4 55   -8.6880    5.8468
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  1  52
M  SBL   5  1  56
M  SMT   5 Me
M  SBV   5 56   -7.4784    5.3452
M  END
>  <MOL_ID>
marinedrugs-11-02444-s001

>  <DOI>
10.3390/md11072444

$$$$

File : marinedrugs-11-02444-s001-mod.mol

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  49
M  SBL   2  1  53
M  SMT   2 Me
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  50
M  SBL   3  1  54
M  SMT   3 Me
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  51
M  SBL   4  1  55
M  SMT   4 Me
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M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  1  52
M  SBL   5  1  56
M  SMT   5 Me
M  SBV   5 56   -7.4784    5.3452
M  END
>  <MOL_ID>
marinedrugs-11-02444-s001-mod

>  <DOI>
10.3390/md11072444

$$$$

File : marinedrugs-11-02382-s005.mol

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M  SMT   1 C11H23
M  SBV   1 32   -4.7149    4.5581
M  END
>  <MOL_ID>
marinedrugs-11-02382-s005

>  <DOI>
10.3390/md11072382

$$$$

File : marinedrugs-11-02382-s005-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02382-s005-mod

>  <DOI>
10.3390/md11072382

$$$$

File : marinedrugs-11-02382-s004.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02382-s004

>  <DOI>
10.3390/md11072382

$$$$

File : marinedrugs-11-02382-s004-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02382-s004-mod

>  <DOI>
10.3390/md11072382

$$$$

File : marinedrugs-11-02382-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02382-s003

>  <DOI>
10.3390/md11072382

$$$$

File : marinedrugs-11-02382-s003-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02382-s003-mod

>  <DOI>
10.3390/md11072382

$$$$

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>  <MOL_ID>
marinedrugs-11-02382-s002

>  <DOI>
10.3390/md11072382

$$$$

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>  <MOL_ID>
marinedrugs-11-02382-s002-mod

>  <DOI>
10.3390/md11072382

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>  <MOL_ID>
marinedrugs-11-02314-s006

>  <DOI>
10.3390/md11072314

$$$$

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>  <MOL_ID>
marinedrugs-11-02314-s006-mod

>  <DOI>
10.3390/md11072314

$$$$

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>  <MOL_ID>
marinedrugs-11-02314-s005

>  <DOI>
10.3390/md11072314

$$$$

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marinedrugs-11-02314-s005-mod

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marinedrugs-11-02314-s004-mod

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>  <DOI>
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marinedrugs-11-02314-s003-mod

>  <DOI>
10.3390/md11072314

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marinedrugs-11-02314-s002

>  <DOI>
10.3390/md11072314

$$$$

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>  <MOL_ID>
marinedrugs-11-02314-s002-mod

>  <DOI>
10.3390/md11072314

$$$$

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>  <MOL_ID>
marinedrugs-11-02314-s001

>  <DOI>
10.3390/md11072314

$$$$

File : marinedrugs-11-02314-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-02314-s001-mod

>  <DOI>
10.3390/md11072314

$$$$

File : marinedrugs-11-02282-s002.mol

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>  <MOL_ID>
marinedrugs-11-02282-s002

>  <DOI>
10.3390/md11072282

$$$$

File : marinedrugs-11-02282-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-02282-s002-mod

>  <DOI>
10.3390/md11072282

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s011

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s011-mod

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s010

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s010-mod

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s009

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s009-mod

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s008

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s008-mod

>  <DOI>
10.3390/md11062230

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>  <MOL_ID>
marinedrugs-11-02230-s007

>  <DOI>
10.3390/md11062230

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>  <MOL_ID>
marinedrugs-11-02230-s007-mod

>  <DOI>
10.3390/md11062230

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>  <MOL_ID>
marinedrugs-11-02230-s006

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s006-mod

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s005

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s005-mod

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s004

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s004-mod

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s003

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s003-mod

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s002

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02230-s002-mod

>  <DOI>
10.3390/md11062230

$$$$

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>  <MOL_ID>
marinedrugs-11-02216-s007

>  <DOI>
10.3390/md11062216

$$$$

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M  SLB  1   2   2
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M  SDI   2  4    3.4488   -0.0529    3.4488   -0.8779
M  END
>  <MOL_ID>
marinedrugs-11-02216-s007-mod

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s006.mol

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M  SDI   3  4    0.5112    0.0197    0.5112    0.8447
M  END
>  <MOL_ID>
marinedrugs-11-02216-s006

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s006-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02216-s006-mod

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s005.mol

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>  <MOL_ID>
marinedrugs-11-02216-s005

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s005-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02216-s005-mod

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s004.mol

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>  <MOL_ID>
marinedrugs-11-02216-s004

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s004-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02216-s004-mod

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02216-s003

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-02216-s003-mod

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s002.mol

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>  <MOL_ID>
marinedrugs-11-02216-s002

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-02216-s002-mod

>  <DOI>
10.3390/md11062216

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-02216-s001

>  <DOI>
10.3390/md11062216

$$$$

File : marinedrugs-11-02216-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-02216-s001-mod

>  <DOI>
10.3390/md11062216

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-02168-s012

>  <DOI>
10.3390/md11062168

$$$$

File : marinedrugs-11-02168-s012-mod.mol

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>  <MOL_ID>
marinedrugs-11-02168-s012-mod

>  <DOI>
10.3390/md11062168

$$$$

File : marinedrugs-11-02168-s011.mol

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>  <MOL_ID>
marinedrugs-11-02168-s011

>  <DOI>
10.3390/md11062168

$$$$

File : marinedrugs-11-02168-s011-mod.mol

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>  <MOL_ID>
marinedrugs-11-02168-s011-mod

>  <DOI>
10.3390/md11062168

$$$$

File : marinedrugs-11-02168-s010.mol

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>  <MOL_ID>
marinedrugs-11-02168-s010

>  <DOI>
10.3390/md11062168

$$$$

File : marinedrugs-11-02168-s010-mod.mol

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marinedrugs-11-02168-s010-mod

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marinedrugs-11-02168-s009-mod

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marinedrugs-11-02168-s008-mod

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marinedrugs-11-02168-s007-mod

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marinedrugs-11-02168-s006-mod

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10.3390/md11062168

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10.3390/md11062154

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marinedrugs-11-02154-s001

>  <DOI>
10.3390/md11062154

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marinedrugs-11-02154-s001-mod

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marinedrugs-11-02126-s004

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marinedrugs-11-02126-s004-mod

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marinedrugs-11-02126-s003

>  <DOI>
10.3390/md11062126

$$$$

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marinedrugs-11-02126-s003-mod

>  <DOI>
10.3390/md11062126

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>  <MOL_ID>
marinedrugs-11-02126-s002-mod

>  <DOI>
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>  <MOL_ID>
marinedrugs-11-02113-s007

>  <DOI>
10.3390/md11062113

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>  <MOL_ID>
marinedrugs-11-02113-s007-mod

>  <DOI>
10.3390/md11062113

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>  <MOL_ID>
marinedrugs-11-02113-s006

>  <DOI>
10.3390/md11062113

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>  <MOL_ID>
marinedrugs-11-02113-s006-mod

>  <DOI>
10.3390/md11062113

$$$$

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>  <MOL_ID>
marinedrugs-11-02113-s005

>  <DOI>
10.3390/md11062113

$$$$

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>  <MOL_ID>
marinedrugs-11-02113-s005-mod

>  <DOI>
10.3390/md11062113

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>  <MOL_ID>
marinedrugs-11-02113-s004

>  <DOI>
10.3390/md11062113

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>  <MOL_ID>
marinedrugs-11-02113-s004-mod

>  <DOI>
10.3390/md11062113

$$$$

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>  <MOL_ID>
marinedrugs-11-02113-s003

>  <DOI>
10.3390/md11062113

$$$$

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>  <MOL_ID>
marinedrugs-11-02113-s003-mod

>  <DOI>
10.3390/md11062113

$$$$

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>  <MOL_ID>
marinedrugs-11-02113-s002

>  <DOI>
10.3390/md11062113

$$$$

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>  <MOL_ID>
marinedrugs-11-02113-s002-mod

>  <DOI>
10.3390/md11062113

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>  <MOL_ID>
marinedrugs-11-02054-s010

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s010-mod

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s009

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s009-mod

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s008

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s008-mod

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s007

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s007-mod

>  <DOI>
10.3390/md11062054

$$$$

File : marinedrugs-11-02054-s006.mol

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>  <MOL_ID>
marinedrugs-11-02054-s006

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s006-mod

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s005

>  <DOI>
10.3390/md11062054

$$$$

File : marinedrugs-11-02054-s005-mod.mol

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>  <MOL_ID>
marinedrugs-11-02054-s005-mod

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s004

>  <DOI>
10.3390/md11062054

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>  <MOL_ID>
marinedrugs-11-02054-s004-mod

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s003

>  <DOI>
10.3390/md11062054

$$$$

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>  <MOL_ID>
marinedrugs-11-02054-s003-mod

>  <DOI>
10.3390/md11062054

$$$$

File : marinedrugs-11-02054-s002.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02054-s002

>  <DOI>
10.3390/md11062054

$$$$

File : marinedrugs-11-02054-s002-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02054-s002-mod

>  <DOI>
10.3390/md11062054

$$$$

File : marinedrugs-11-02042-s005.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02042-s005

>  <DOI>
10.3390/md11062042

$$$$

File : marinedrugs-11-02042-s005-mod.mol

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M  SBL   1  1  29
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M  SBL   2  1  33
M  SMT   2 OAc
M  SBV   2 33   -5.8753    5.9491
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  34  35  36  37
M  SBL   3  1  37
M  SMT   3 OAc
M  SBV   3 37   -5.7282    5.8625
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  38  39  40  41
M  SBL   4  1  41
M  SMT   4 OAc
M  SBV   4 41   -6.0846    5.6565
M  END
>  <MOL_ID>
marinedrugs-11-02042-s005-mod

>  <DOI>
10.3390/md11062042

$$$$

File : marinedrugs-11-02042-s004.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02042-s004

>  <DOI>
10.3390/md11062042

$$$$

File : marinedrugs-11-02042-s004-mod.mol

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>  <MOL_ID>
marinedrugs-11-02042-s004-mod

>  <DOI>
10.3390/md11062042

$$$$

File : marinedrugs-11-02042-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02042-s003

>  <DOI>
10.3390/md11062042

$$$$

File : marinedrugs-11-02042-s003-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-02042-s003-mod

>  <DOI>
10.3390/md11062042

$$$$

File : marinedrugs-11-02042-s002.mol

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>  <MOL_ID>
marinedrugs-11-02042-s002

>  <DOI>
10.3390/md11062042

$$$$

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>  <MOL_ID>
marinedrugs-11-02042-s002-mod

>  <DOI>
10.3390/md11062042

$$$$

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>  <MOL_ID>
marinedrugs-11-01999-s004

>  <DOI>
10.3390/md11061999

$$$$

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>  <MOL_ID>
marinedrugs-11-01999-s004-mod

>  <DOI>
10.3390/md11061999

$$$$

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>  <MOL_ID>
marinedrugs-11-01999-s003

>  <DOI>
10.3390/md11061999

$$$$

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>  <DOI>
10.3390/md11061999

$$$$

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marinedrugs-11-01999-s002

>  <DOI>
10.3390/md11061999

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>  <MOL_ID>
marinedrugs-11-01999-s002-mod

>  <DOI>
10.3390/md11061999

$$$$

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>  <MOL_ID>
marinedrugs-11-01999-s001

>  <DOI>
10.3390/md11061999

$$$$

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>  <MOL_ID>
marinedrugs-11-01999-s001-mod

>  <DOI>
10.3390/md11061999

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-01866-s001

>  <DOI>
10.3390/md11061866

$$$$

File : marinedrugs-11-01866-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-01866-s001-mod

>  <DOI>
10.3390/md11061866

$$$$

File : marinedrugs-11-01853-s010.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01853-s010

>  <DOI>
10.3390/md11061853

$$$$

File : marinedrugs-11-01853-s010-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01853-s010-mod

>  <DOI>
10.3390/md11061853

$$$$

File : marinedrugs-11-01853-s009.mol

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>  <MOL_ID>
marinedrugs-11-01853-s009

>  <DOI>
10.3390/md11061853

$$$$

File : marinedrugs-11-01853-s009-mod.mol

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>  <MOL_ID>
marinedrugs-11-01853-s009-mod

>  <DOI>
10.3390/md11061853

$$$$

File : marinedrugs-11-01853-s008.mol

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>  <MOL_ID>
marinedrugs-11-01853-s008

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s008-mod

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s007

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s007-mod

>  <DOI>
10.3390/md11061853

$$$$

File : marinedrugs-11-01853-s006.mol

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>  <MOL_ID>
marinedrugs-11-01853-s006

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s006-mod

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s005

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s005-mod

>  <DOI>
10.3390/md11061853

$$$$

File : marinedrugs-11-01853-s004.mol

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>  <MOL_ID>
marinedrugs-11-01853-s004

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s004-mod

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s003

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s003-mod

>  <DOI>
10.3390/md11061853

$$$$

File : marinedrugs-11-01853-s002.mol

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>  <MOL_ID>
marinedrugs-11-01853-s002

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01853-s002-mod

>  <DOI>
10.3390/md11061853

$$$$

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>  <MOL_ID>
marinedrugs-11-01718-s012

>  <DOI>
10.3390/md11051718

$$$$

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marinedrugs-11-01718-s012-mod

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10.3390/md11051718

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>  <MOL_ID>
marinedrugs-11-01718-s011

>  <DOI>
10.3390/md11051718

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>  <MOL_ID>
marinedrugs-11-01718-s011-mod

>  <DOI>
10.3390/md11051718

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>  <MOL_ID>
marinedrugs-11-01718-s010

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10.3390/md11051718

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>  <MOL_ID>
marinedrugs-11-01718-s010-mod

>  <DOI>
10.3390/md11051718

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marinedrugs-11-01718-s009

>  <DOI>
10.3390/md11051718

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marinedrugs-11-01718-s009-mod

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>  <MOL_ID>
marinedrugs-11-01718-s008

>  <DOI>
10.3390/md11051718

$$$$

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>  <MOL_ID>
marinedrugs-11-01718-s008-mod

>  <DOI>
10.3390/md11051718

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marinedrugs-11-01718-s007

>  <DOI>
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>  <MOL_ID>
marinedrugs-11-01718-s007-mod

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marinedrugs-11-01718-s006

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10.3390/md11051718

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>  <MOL_ID>
marinedrugs-11-01718-s006-mod

>  <DOI>
10.3390/md11051718

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marinedrugs-11-01718-s005

>  <DOI>
10.3390/md11051718

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>  <MOL_ID>
marinedrugs-11-01718-s005-mod

>  <DOI>
10.3390/md11051718

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marinedrugs-11-01718-s004

>  <DOI>
10.3390/md11051718

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marinedrugs-11-01718-s004-mod

>  <DOI>
10.3390/md11051718

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>  <DOI>
10.3390/md11051718

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marinedrugs-11-01718-s003-mod

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marinedrugs-11-01718-s002

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10.3390/md11051718

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>  <MOL_ID>
marinedrugs-11-01718-s002-mod

>  <DOI>
10.3390/md11051718

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>  <MOL_ID>
marinedrugs-11-01644-s001

>  <DOI>
10.3390/md11051644

$$$$

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>  <MOL_ID>
marinedrugs-11-01644-s001-mod

>  <DOI>
10.3390/md11051644

$$$$

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>  <MOL_ID>
marinedrugs-11-01583-s001

>  <DOI>
10.3390/md11051583

$$$$

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>  <MOL_ID>
marinedrugs-11-01583-s001-mod

>  <DOI>
10.3390/md11051583

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-01565-s002

>  <DOI>
10.3390/md11051565

$$$$

File : marinedrugs-11-01565-s002-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01565-s002-mod

>  <DOI>
10.3390/md11051565

$$$$

File : marinedrugs-11-01553-s001.mol

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marinedrugs-11-01553-s001

>  <DOI>
10.3390/md11051553

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>  <MOL_ID>
marinedrugs-11-01553-s001-mod

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marinedrugs-11-01524-s004

>  <DOI>
10.3390/md11051524

$$$$

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marinedrugs-11-01524-s004-mod

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10.3390/md11051524

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marinedrugs-11-01524-s003

>  <DOI>
10.3390/md11051524

$$$$

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>  <MOL_ID>
marinedrugs-11-01524-s003-mod

>  <DOI>
10.3390/md11051524

$$$$

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>  <MOL_ID>
marinedrugs-11-01524-s002

>  <DOI>
10.3390/md11051524

$$$$

File : marinedrugs-11-01524-s002-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01524-s002-mod

>  <DOI>
10.3390/md11051524

$$$$

File : marinedrugs-11-01477-s002.mol

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>  <MOL_ID>
marinedrugs-11-01477-s002

>  <DOI>
10.3390/md11051477

$$$$

File : marinedrugs-11-01477-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-01477-s002-mod

>  <DOI>
10.3390/md11051477

$$$$

File : marinedrugs-11-01440-s003.mol

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>  <MOL_ID>
marinedrugs-11-01440-s003

>  <DOI>
10.3390/md11051440

$$$$

File : marinedrugs-11-01440-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-01440-s003-mod

>  <DOI>
10.3390/md11051440

$$$$

File : marinedrugs-11-01440-s002.mol

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>  <MOL_ID>
marinedrugs-11-01440-s002

>  <DOI>
10.3390/md11051440

$$$$

File : marinedrugs-11-01440-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-01440-s002-mod

>  <DOI>
10.3390/md11051440

$$$$

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>  <MOL_ID>
marinedrugs-11-01440-s001

>  <DOI>
10.3390/md11051440

$$$$

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>  <MOL_ID>
marinedrugs-11-01440-s001-mod

>  <DOI>
10.3390/md11051440

$$$$

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>  <MOL_ID>
marinedrugs-11-01409-s004

>  <DOI>
10.3390/md11041409

$$$$

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>  <MOL_ID>
marinedrugs-11-01409-s004-mod

>  <DOI>
10.3390/md11041409

$$$$

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marinedrugs-11-01409-s003

>  <DOI>
10.3390/md11041409

$$$$

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>  <MOL_ID>
marinedrugs-11-01409-s003-mod

>  <DOI>
10.3390/md11041409

$$$$

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marinedrugs-11-01409-s002

>  <DOI>
10.3390/md11041409

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marinedrugs-11-01409-s002-mod

>  <DOI>
10.3390/md11041409

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marinedrugs-11-01399-s006

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10.3390/md11041399

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>  <MOL_ID>
marinedrugs-11-01399-s005-mod

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>  <DOI>
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marinedrugs-11-01399-s004-mod

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marinedrugs-11-01399-s002

>  <DOI>
10.3390/md11041399

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marinedrugs-11-01399-s002-mod

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>  <MOL_ID>
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>  <DOI>
10.3390/md11041399

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>  <MOL_ID>
marinedrugs-11-01399-s001-mod

>  <DOI>
10.3390/md11041399

$$$$

File : marinedrugs-11-01351-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01351-s001

>  <DOI>
10.3390/md11041351

$$$$

File : marinedrugs-11-01351-s001-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01351-s001-mod

>  <DOI>
10.3390/md11041351

$$$$

File : marinedrugs-11-01336-s006.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01336-s006

>  <DOI>
10.3390/md11041336

$$$$

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>  <MOL_ID>
marinedrugs-11-01336-s006-mod

>  <DOI>
10.3390/md11041336

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>  <MOL_ID>
marinedrugs-11-01336-s005

>  <DOI>
10.3390/md11041336

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>  <MOL_ID>
marinedrugs-11-01336-s005-mod

>  <DOI>
10.3390/md11041336

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>  <MOL_ID>
marinedrugs-11-01336-s004

>  <DOI>
10.3390/md11041336

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>  <MOL_ID>
marinedrugs-11-01336-s004-mod

>  <DOI>
10.3390/md11041336

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>  <MOL_ID>
marinedrugs-11-01336-s003

>  <DOI>
10.3390/md11041336

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>  <MOL_ID>
marinedrugs-11-01336-s003-mod

>  <DOI>
10.3390/md11041336

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>  <MOL_ID>
marinedrugs-11-01336-s002

>  <DOI>
10.3390/md11041336

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>  <MOL_ID>
marinedrugs-11-01336-s002-mod

>  <DOI>
10.3390/md11041336

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>  <MOL_ID>
marinedrugs-11-01336-s001

>  <DOI>
10.3390/md11041336

$$$$

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>  <MOL_ID>
marinedrugs-11-01336-s001-mod

>  <DOI>
10.3390/md11041336

$$$$

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>  <MOL_ID>
marinedrugs-11-01304-s001

>  <DOI>
10.3390/md11041304

$$$$

File : marinedrugs-11-01304-s001-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01304-s001-mod

>  <DOI>
10.3390/md11041304

$$$$

File : marinedrugs-11-01288-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01288-s001

>  <DOI>
10.3390/md11041288

$$$$

File : marinedrugs-11-01288-s001-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01288-s001-mod

>  <DOI>
10.3390/md11041288

$$$$

File : marinedrugs-11-01271-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01271-s003

>  <DOI>
10.3390/md11041271

$$$$

File : marinedrugs-11-01271-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-01271-s003-mod

>  <DOI>
10.3390/md11041271

$$$$

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>  <MOL_ID>
marinedrugs-11-01271-s002

>  <DOI>
10.3390/md11041271

$$$$

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>  <MOL_ID>
marinedrugs-11-01271-s002-mod

>  <DOI>
10.3390/md11041271

$$$$

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>  <MOL_ID>
marinedrugs-11-01162-s008

>  <DOI>
10.3390/md11041162

$$$$

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>  <MOL_ID>
marinedrugs-11-01162-s007

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marinedrugs-11-01162-s007-mod

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10.3390/md11041162

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marinedrugs-11-01162-s006

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10.3390/md11041162

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>  <MOL_ID>
marinedrugs-11-01162-s006-mod

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10.3390/md11041162

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>  <MOL_ID>
marinedrugs-11-01162-s005

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10.3390/md11041162

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>  <MOL_ID>
marinedrugs-11-01162-s005-mod

>  <DOI>
10.3390/md11041162

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>  <MOL_ID>
marinedrugs-11-01162-s004

>  <DOI>
10.3390/md11041162

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>  <MOL_ID>
marinedrugs-11-01162-s004-mod

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10.3390/md11041162

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marinedrugs-11-01162-s003

>  <DOI>
10.3390/md11041162

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>  <MOL_ID>
marinedrugs-11-01162-s003-mod

>  <DOI>
10.3390/md11041162

$$$$

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>  <MOL_ID>
marinedrugs-11-01162-s002

>  <DOI>
10.3390/md11041162

$$$$

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>  <MOL_ID>
marinedrugs-11-01162-s002-mod

>  <DOI>
10.3390/md11041162

$$$$

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marinedrugs-11-01152-s003

>  <DOI>
10.3390/md11041152

$$$$

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>  <MOL_ID>
marinedrugs-11-01152-s003-mod

>  <DOI>
10.3390/md11041152

$$$$

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>  <MOL_ID>
marinedrugs-11-01152-s002

>  <DOI>
10.3390/md11041152

$$$$

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>  <MOL_ID>
marinedrugs-11-01152-s002-mod

>  <DOI>
10.3390/md11041152

$$$$

File : marinedrugs-11-01140-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01140-s001

>  <DOI>
10.3390/md11041140

$$$$

File : marinedrugs-11-01140-s001-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01140-s001-mod

>  <DOI>
10.3390/md11041140

$$$$

File : marinedrugs-11-01113-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01113-s001

>  <DOI>
10.3390/md11041113

$$$$

File : marinedrugs-11-01113-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-01113-s001-mod

>  <DOI>
10.3390/md11041113

$$$$

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>  <MOL_ID>
marinedrugs-11-01104-s003

>  <DOI>
10.3390/md11041104

$$$$

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>  <MOL_ID>
marinedrugs-11-01104-s003-mod

>  <DOI>
10.3390/md11041104

$$$$

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>  <MOL_ID>
marinedrugs-11-01104-s002

>  <DOI>
10.3390/md11041104

$$$$

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>  <MOL_ID>
marinedrugs-11-01104-s002-mod

>  <DOI>
10.3390/md11041104

$$$$

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marinedrugs-11-01104-s001

>  <DOI>
10.3390/md11041104

$$$$

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10.3390/md11041104

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marinedrugs-11-01087-s002

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>  <MOL_ID>
marinedrugs-11-01087-s002-mod

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10.3390/md11041087

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-01071-s002

>  <DOI>
10.3390/md11041071

$$$$

File : marinedrugs-11-01071-s002-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01071-s002-mod

>  <DOI>
10.3390/md11041071

$$$$

File : marinedrugs-11-01061-s001.mol

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>  <MOL_ID>
marinedrugs-11-01061-s001

>  <DOI>
10.3390/md11041061

$$$$

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>  <MOL_ID>
marinedrugs-11-01061-s001-mod

>  <DOI>
10.3390/md11041061

$$$$

File : marinedrugs-11-01050-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-01050-s003

>  <DOI>
10.3390/md11041050

$$$$

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>  <MOL_ID>
marinedrugs-11-01050-s003-mod

>  <DOI>
10.3390/md11041050

$$$$

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>  <MOL_ID>
marinedrugs-11-01050-s002

>  <DOI>
10.3390/md11041050

$$$$

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marinedrugs-11-01050-s002-mod

>  <DOI>
10.3390/md11041050

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>  <MOL_ID>
marinedrugs-11-01035-s008

>  <DOI>
10.3390/md11041035

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>  <MOL_ID>
marinedrugs-11-01035-s008-mod

>  <DOI>
10.3390/md11041035

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>  <MOL_ID>
marinedrugs-11-01035-s007

>  <DOI>
10.3390/md11041035

$$$$

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>  <MOL_ID>
marinedrugs-11-01035-s007-mod

>  <DOI>
10.3390/md11041035

$$$$

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>  <MOL_ID>
marinedrugs-11-01035-s006

>  <DOI>
10.3390/md11041035

$$$$

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>  <MOL_ID>
marinedrugs-11-01035-s006-mod

>  <DOI>
10.3390/md11041035

$$$$

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marinedrugs-11-01035-s005

>  <DOI>
10.3390/md11041035

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marinedrugs-11-01035-s005-mod

>  <DOI>
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marinedrugs-11-01035-s004

>  <DOI>
10.3390/md11041035

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>  <MOL_ID>
marinedrugs-11-01035-s004-mod

>  <DOI>
10.3390/md11041035

$$$$

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marinedrugs-11-01035-s003

>  <DOI>
10.3390/md11041035

$$$$

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>  <MOL_ID>
marinedrugs-11-01035-s003-mod

>  <DOI>
10.3390/md11041035

$$$$

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>  <MOL_ID>
marinedrugs-11-01035-s002

>  <DOI>
10.3390/md11041035

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-01035-s002-mod

>  <DOI>
10.3390/md11041035

$$$$

File : marinedrugs-11-00870-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00870-s001

>  <DOI>
10.3390/md11030870

$$$$

File : marinedrugs-11-00870-s001-mod.mol

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  6  40  41  42  43  44  45
M  SBL   2  1  44
M  SMT   2 OSO3Na
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  46  47  48  49
M  SBL   3  1  50
M  SMT   3 COONa
M  SBV   3 50   -8.6157    6.3319
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  5  50  51  52  53  54
M  SBL   4  1  54
M  SMT   4 OSO3-
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M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  4  55  56  57  58
M  SBL   5  1  59
M  SMT   5 COONa
M  SBV   5 59   -8.5052    5.6176
M  END
>  <MOL_ID>
marinedrugs-11-00870-s001-mod

>  <DOI>
10.3390/md11030870

$$$$

File : marinedrugs-11-00842-s002.mol

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>  <DOI>
10.3390/md11030842

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M  END
>  <MOL_ID>
marinedrugs-11-00817-s005

>  <DOI>
10.3390/md11030817

$$$$

File : marinedrugs-11-00817-s005-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00817-s005-mod

>  <DOI>
10.3390/md11030817

$$$$

File : marinedrugs-11-00817-s004.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00817-s004

>  <DOI>
10.3390/md11030817

$$$$

File : marinedrugs-11-00817-s004-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00817-s004-mod

>  <DOI>
10.3390/md11030817

$$$$

File : marinedrugs-11-00817-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00817-s003

>  <DOI>
10.3390/md11030817

$$$$

File : marinedrugs-11-00817-s003-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00817-s003-mod

>  <DOI>
10.3390/md11030817

$$$$

File : marinedrugs-11-00817-s002.mol

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>  <MOL_ID>
marinedrugs-11-00817-s002

>  <DOI>
10.3390/md11030817

$$$$

File : marinedrugs-11-00817-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-00817-s002-mod

>  <DOI>
10.3390/md11030817

$$$$

File : marinedrugs-11-00800-s007.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00800-s007

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s007-mod.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  1  20
M  SBL   1  1  20
M  SMT   1 Me
M  SBV   1 20   -7.0750    5.9813
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  21
M  SBL   2  1  21
M  SMT   2 Me
M  SBV   2 21   -7.7899    4.7438
M  END
>  <MOL_ID>
marinedrugs-11-00800-s007-mod

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s006.mol

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M  SLB  1   1   1
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M  SBL   1  1  31
M  SMT   1 Me
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  31
M  SBL   2  1  32
M  SMT   2 Me
M  SBV   2 32   -8.3822    6.6891
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  32
M  SBL   3  1  33
M  SMT   3 Me
M  SBV   3 33   -8.2712    6.2773
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  33
M  SBL   4  1  34
M  SMT   4 Me
M  SBV   4 34   -7.5579    7.5141
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  1  34
M  SBL   5  1  35
M  SMT   5 Me
M  SBV   5 35   -7.5576    7.5141
M  END
>  <MOL_ID>
marinedrugs-11-00800-s006

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s006-mod.mol

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M  SBL   2  1  32
M  SMT   2 Me
M  SBV   2 32   -8.3822    6.6891
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  32
M  SBL   3  1  33
M  SMT   3 Me
M  SBV   3 33   -8.2712    6.2773
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  33
M  SBL   4  1  34
M  SMT   4 Me
M  SBV   4 34   -7.5579    7.5141
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M  SAL   5  1  34
M  SBL   5  1  35
M  SMT   5 Me
M  SBV   5 35   -7.5576    7.5141
M  END
>  <MOL_ID>
marinedrugs-11-00800-s006-mod

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s005.mol

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M  STY  1   2 SUP
M  SLB  1   2   2
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M  SBL   2  1  34
M  SMT   2 Me
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M  STY  1   3 SUP
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M  SAL   3  1  34
M  SBL   3  1  35
M  SMT   3 Me
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  35
M  SBL   4  1  36
M  SMT   4 Me
M  SBV   4 36   -8.2790    6.6891
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  1  36
M  SBL   5  1  37
M  SMT   5 Me
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M  END
>  <MOL_ID>
marinedrugs-11-00800-s005

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s005-mod.mol

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  1  2  1  0
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 13 14  2  0
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 20 36  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  1  32
M  SBL   1  1  33
M  SMT   1 Me
M  SBV   1 33   -6.7393    7.1016
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  33
M  SBL   2  1  34
M  SMT   2 Me
M  SBV   2 34   -7.4548    7.5141
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  34
M  SBL   3  1  35
M  SMT   3 Me
M  SBV   3 35   -7.4545    7.5141
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  35
M  SBL   4  1  36
M  SMT   4 Me
M  SBV   4 36   -8.2790    6.6891
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  1  36
M  SBL   5  1  37
M  SMT   5 Me
M  SBV   5 37   -8.1681    6.2773
M  END
>  <MOL_ID>
marinedrugs-11-00800-s005-mod

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s004.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  1  31
M  SBL   1  1  32
M  SMT   1 Me
M  SBV   1 32   -7.2485    7.3078
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  32
M  SBL   2  1  33
M  SMT   2 Me
M  SBV   2 33   -6.6652    7.0672
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  33
M  SBL   3  1  34
M  SMT   3 Me
M  SBV   3 34   -6.5330    6.8953
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  34
M  SBL   4  1  35
M  SMT   4 Me
M  SBV   4 35   -8.0728    6.4828
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  1  35
M  SBL   5  1  36
M  SMT   5 Me
M  SBV   5 36   -7.9619    6.0711
M  END
>  <MOL_ID>
marinedrugs-11-00800-s004

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s004-mod.mol

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  32
M  SBL   2  1  33
M  SMT   2 Me
M  SBV   2 33   -6.6652    7.0672
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  33
M  SBL   3  1  34
M  SMT   3 Me
M  SBV   3 34   -6.5330    6.8953
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  34
M  SBL   4  1  35
M  SMT   4 Me
M  SBV   4 35   -8.0728    6.4828
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  1  35
M  SBL   5  1  36
M  SMT   5 Me
M  SBV   5 36   -7.9619    6.0711
M  END
>  <MOL_ID>
marinedrugs-11-00800-s004-mod

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s003.mol

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M  SBL   1  1  22
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  22
M  SBL   2  1  23
M  SMT   2 Me
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  23
M  SBL   3  1  24
M  SMT   3 Me
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  24
M  SBL   4  1  25
M  SMT   4 Me
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M  END
>  <MOL_ID>
marinedrugs-11-00800-s003

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s003-mod.mol

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  1  22
M  SBL   2  1  23
M  SMT   2 Me
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  23
M  SBL   3  1  24
M  SMT   3 Me
M  SBV   3 24   -6.5842    5.3831
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  24
M  SBL   4  1  25
M  SMT   4 Me
M  SBV   4 25   -7.2995    5.7956
M  END
>  <MOL_ID>
marinedrugs-11-00800-s003-mod

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s002.mol

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M  SBL   2  1  31
M  SMT   2 Me
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  1  31
M  SBL   3  1  32
M  SMT   3 Me
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  1  32
M  SBL   4  1  33
M  SMT   4 Me
M  SBV   4 33   -8.1681    7.3498
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M  SAL   5  1  33
M  SBL   5  1  34
M  SMT   5 Me
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M  END
>  <MOL_ID>
marinedrugs-11-00800-s002

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00800-s002-mod.mol

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M  SBL   2  1  31
M  SMT   2 Me
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M  SBL   5  1  34
M  SMT   5 Me
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M  END
>  <MOL_ID>
marinedrugs-11-00800-s002-mod

>  <DOI>
10.3390/md11030800

$$$$

File : marinedrugs-11-00788-s006.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00788-s006

>  <DOI>
10.3390/md11030788

$$$$

File : marinedrugs-11-00788-s006-mod.mol

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>  <MOL_ID>
marinedrugs-11-00788-s006-mod

>  <DOI>
10.3390/md11030788

$$$$

File : marinedrugs-11-00788-s005.mol

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>  <MOL_ID>
marinedrugs-11-00788-s005

>  <DOI>
10.3390/md11030788

$$$$

File : marinedrugs-11-00788-s005-mod.mol

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>  <MOL_ID>
marinedrugs-11-00788-s005-mod

>  <DOI>
10.3390/md11030788

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-00788-s004

>  <DOI>
10.3390/md11030788

$$$$

File : marinedrugs-11-00788-s004-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00788-s004-mod

>  <DOI>
10.3390/md11030788

$$$$

File : marinedrugs-11-00788-s003.mol

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>  <MOL_ID>
marinedrugs-11-00788-s003

>  <DOI>
10.3390/md11030788

$$$$

File : marinedrugs-11-00788-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-00788-s003-mod

>  <DOI>
10.3390/md11030788

$$$$

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>  <MOL_ID>
marinedrugs-11-00788-s002

>  <DOI>
10.3390/md11030788

$$$$

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>  <MOL_ID>
marinedrugs-11-00788-s002-mod

>  <DOI>
10.3390/md11030788

$$$$

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>  <MOL_ID>
marinedrugs-11-00788-s001

>  <DOI>
10.3390/md11030788

$$$$

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>  <MOL_ID>
marinedrugs-11-00788-s001-mod

>  <DOI>
10.3390/md11030788

$$$$

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>  <MOL_ID>
marinedrugs-11-00775-s006

>  <DOI>
10.3390/md11030775

$$$$

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>  <MOL_ID>
marinedrugs-11-00775-s006-mod

>  <DOI>
10.3390/md11030775

$$$$

File : marinedrugs-11-00775-s005.mol

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>  <MOL_ID>
marinedrugs-11-00775-s005

>  <DOI>
10.3390/md11030775

$$$$

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>  <MOL_ID>
marinedrugs-11-00775-s005-mod

>  <DOI>
10.3390/md11030775

$$$$

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>  <MOL_ID>
marinedrugs-11-00775-s004

>  <DOI>
10.3390/md11030775

$$$$

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>  <MOL_ID>
marinedrugs-11-00775-s004-mod

>  <DOI>
10.3390/md11030775

$$$$

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>  <MOL_ID>
marinedrugs-11-00775-s003

>  <DOI>
10.3390/md11030775

$$$$

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>  <MOL_ID>
marinedrugs-11-00775-s003-mod

>  <DOI>
10.3390/md11030775

$$$$

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>  <MOL_ID>
marinedrugs-11-00775-s002

>  <DOI>
10.3390/md11030775

$$$$

File : marinedrugs-11-00775-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-00775-s002-mod

>  <DOI>
10.3390/md11030775

$$$$

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>  <MOL_ID>
marinedrugs-11-00643-s007

>  <DOI>
10.3390/md11030643

$$$$

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>  <MOL_ID>
marinedrugs-11-00643-s007-mod

>  <DOI>
10.3390/md11030643

$$$$

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>  <MOL_ID>
marinedrugs-11-00643-s006

>  <DOI>
10.3390/md11030643

$$$$

File : marinedrugs-11-00643-s006-mod.mol

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>  <MOL_ID>
marinedrugs-11-00643-s006-mod

>  <DOI>
10.3390/md11030643

$$$$

File : marinedrugs-11-00643-s005.mol

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>  <MOL_ID>
marinedrugs-11-00643-s005

>  <DOI>
10.3390/md11030643

$$$$

File : marinedrugs-11-00643-s005-mod.mol

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>  <MOL_ID>
marinedrugs-11-00643-s005-mod

>  <DOI>
10.3390/md11030643

$$$$

File : marinedrugs-11-00643-s004.mol

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>  <MOL_ID>
marinedrugs-11-00643-s004

>  <DOI>
10.3390/md11030643

$$$$

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marinedrugs-11-00643-s004-mod

>  <DOI>
10.3390/md11030643

$$$$

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marinedrugs-11-00643-s003

>  <DOI>
10.3390/md11030643

$$$$

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>  <MOL_ID>
marinedrugs-11-00643-s003-mod

>  <DOI>
10.3390/md11030643

$$$$

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>  <MOL_ID>
marinedrugs-11-00643-s002

>  <DOI>
10.3390/md11030643

$$$$

File : marinedrugs-11-00643-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-00643-s002-mod

>  <DOI>
10.3390/md11030643

$$$$

File : marinedrugs-11-00643-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00643-s001

>  <DOI>
10.3390/md11030643

$$$$

File : marinedrugs-11-00643-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-00643-s001-mod

>  <DOI>
10.3390/md11030643

$$$$

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>  <MOL_ID>
marinedrugs-11-00611-s004

>  <DOI>
10.3390/md11030611

$$$$

File : marinedrugs-11-00611-s004-mod.mol

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>  <MOL_ID>
marinedrugs-11-00611-s004-mod

>  <DOI>
10.3390/md11030611

$$$$

File : marinedrugs-11-00611-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00611-s003

>  <DOI>
10.3390/md11030611

$$$$

File : marinedrugs-11-00611-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-00611-s003-mod

>  <DOI>
10.3390/md11030611

$$$$

File : marinedrugs-11-00611-s002.mol

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>  <MOL_ID>
marinedrugs-11-00611-s002

>  <DOI>
10.3390/md11030611

$$$$

File : marinedrugs-11-00611-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-00611-s002-mod

>  <DOI>
10.3390/md11030611

$$$$

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>  <MOL_ID>
marinedrugs-11-00599-s001

>  <DOI>
10.3390/md11030599

$$$$

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>  <MOL_ID>
marinedrugs-11-00599-s001-mod

>  <DOI>
10.3390/md11030599

$$$$

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>  <MOL_ID>
marinedrugs-11-00571-s004

>  <DOI>
10.3390/md11020571

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>  <MOL_ID>
marinedrugs-11-00571-s004-mod

>  <DOI>
10.3390/md11020571

$$$$

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>  <MOL_ID>
marinedrugs-11-00571-s003

>  <DOI>
10.3390/md11020571

$$$$

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>  <MOL_ID>
marinedrugs-11-00571-s003-mod

>  <DOI>
10.3390/md11020571

$$$$

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>  <MOL_ID>
marinedrugs-11-00571-s002

>  <DOI>
10.3390/md11020571

$$$$

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>  <MOL_ID>
marinedrugs-11-00571-s002-mod

>  <DOI>
10.3390/md11020571

$$$$

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>  <MOL_ID>
marinedrugs-11-00551-s007

>  <DOI>
10.3390/md11020551

$$$$

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>  <MOL_ID>
marinedrugs-11-00551-s007-mod

>  <DOI>
10.3390/md11020551

$$$$

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>  <MOL_ID>
marinedrugs-11-00551-s006

>  <DOI>
10.3390/md11020551

$$$$

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>  <DOI>
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marinedrugs-11-00551-s005

>  <DOI>
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marinedrugs-11-00551-s005-mod

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marinedrugs-11-00551-s004-mod

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marinedrugs-11-00551-s003

>  <DOI>
10.3390/md11020551

$$$$

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marinedrugs-11-00551-s003-mod

>  <DOI>
10.3390/md11020551

$$$$

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>  <MOL_ID>
marinedrugs-11-00551-s002

>  <DOI>
10.3390/md11020551

$$$$

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>  <MOL_ID>
marinedrugs-11-00504-s001

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>  <MOL_ID>
marinedrugs-11-00504-s001-mod

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>  <MOL_ID>
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>  <DOI>
10.3390/md11020489

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>  <MOL_ID>
marinedrugs-11-00466-s010

>  <DOI>
10.3390/md11020466

$$$$

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>  <DOI>
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>  <MOL_ID>
marinedrugs-11-00466-s009

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10.3390/md11020466

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>  <MOL_ID>
marinedrugs-11-00466-s009-mod

>  <DOI>
10.3390/md11020466

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>  <MOL_ID>
marinedrugs-11-00466-s008

>  <DOI>
10.3390/md11020466

$$$$

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>  <MOL_ID>
marinedrugs-11-00466-s008-mod

>  <DOI>
10.3390/md11020466

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-00466-s007

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00466-s007-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00466-s007-mod

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00466-s006.mol

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>  <MOL_ID>
marinedrugs-11-00466-s006

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00466-s006-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00466-s006-mod

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00466-s005.mol

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>  <MOL_ID>
marinedrugs-11-00466-s005

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00466-s005-mod.mol

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>  <MOL_ID>
marinedrugs-11-00466-s005-mod

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00466-s004.mol

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>  <MOL_ID>
marinedrugs-11-00466-s004

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00466-s004-mod.mol

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>  <MOL_ID>
marinedrugs-11-00466-s004-mod

>  <DOI>
10.3390/md11020466

$$$$

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>  <MOL_ID>
marinedrugs-11-00466-s003

>  <DOI>
10.3390/md11020466

$$$$

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>  <MOL_ID>
marinedrugs-11-00466-s003-mod

>  <DOI>
10.3390/md11020466

$$$$

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>  <MOL_ID>
marinedrugs-11-00466-s002

>  <DOI>
10.3390/md11020466

$$$$

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>  <MOL_ID>
marinedrugs-11-00466-s002-mod

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00466-s001.mol

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>  <MOL_ID>
marinedrugs-11-00466-s001

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00466-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-00466-s001-mod

>  <DOI>
10.3390/md11020466

$$$$

File : marinedrugs-11-00455-s006.mol

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>  <MOL_ID>
marinedrugs-11-00455-s006

>  <DOI>
10.3390/md11020455

$$$$

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>  <MOL_ID>
marinedrugs-11-00455-s005

>  <DOI>
10.3390/md11020455

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>  <MOL_ID>
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>  <MOL_ID>
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>  <DOI>
10.3390/md11020455

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>  <MOL_ID>
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>  <DOI>
10.3390/md11020455

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>  <MOL_ID>
marinedrugs-11-00455-s003-mod

>  <DOI>
10.3390/md11020455

$$$$

File : marinedrugs-11-00455-s002.mol

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>  <MOL_ID>
marinedrugs-11-00455-s002

>  <DOI>
10.3390/md11020455

$$$$

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>  <MOL_ID>
marinedrugs-11-00455-s002-mod

>  <DOI>
10.3390/md11020455

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-00387-s002

>  <DOI>
10.3390/md11020387

$$$$

File : marinedrugs-11-00387-s002-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00387-s002-mod

>  <DOI>
10.3390/md11020387

$$$$

File : marinedrugs-11-00377-s002.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00377-s002

>  <DOI>
10.3390/md11020377

$$$$

File : marinedrugs-11-00377-s002-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00377-s002-mod

>  <DOI>
10.3390/md11020377

$$$$

File : marinedrugs-11-00377-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00377-s001

>  <DOI>
10.3390/md11020377

$$$$

File : marinedrugs-11-00377-s001-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00377-s001-mod

>  <DOI>
10.3390/md11020377

$$$$

File : marinedrugs-11-00363-s003.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00363-s003

>  <DOI>
10.3390/md11020363

$$$$

File : marinedrugs-11-00363-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-00363-s003-mod

>  <DOI>
10.3390/md11020363

$$$$

File : marinedrugs-11-00363-s002.mol

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>  <MOL_ID>
marinedrugs-11-00363-s002

>  <DOI>
10.3390/md11020363

$$$$

File : marinedrugs-11-00363-s002-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00363-s002-mod

>  <DOI>
10.3390/md11020363

$$$$

File : marinedrugs-11-00363-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00363-s001

>  <DOI>
10.3390/md11020363

$$$$

File : marinedrugs-11-00363-s001-mod.mol

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>  <DOI>
10.3390/md11020363

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>  <MOL_ID>
marinedrugs-11-00350-s005

>  <DOI>
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>  <MOL_ID>
marinedrugs-11-00350-s005-mod

>  <DOI>
10.3390/md11020350

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>  <MOL_ID>
marinedrugs-11-00350-s004

>  <DOI>
10.3390/md11020350

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>  <MOL_ID>
marinedrugs-11-00350-s004-mod

>  <DOI>
10.3390/md11020350

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marinedrugs-11-00350-s003

>  <DOI>
10.3390/md11020350

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>  <MOL_ID>
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>  <MOL_ID>
marinedrugs-11-00350-s002-mod

>  <DOI>
10.3390/md11020350

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>  <DOI>
10.3390/md11020350

$$$$

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>  <MOL_ID>
marinedrugs-11-00350-s001-mod

>  <DOI>
10.3390/md11020350

$$$$

File : marinedrugs-11-00316-s001.mol

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>  <MOL_ID>
marinedrugs-11-00316-s001

>  <DOI>
10.3390/md11020316

$$$$

File : marinedrugs-11-00316-s001-mod.mol

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>  <MOL_ID>
marinedrugs-11-00316-s001-mod

>  <DOI>
10.3390/md11020316

$$$$

File : marinedrugs-11-00300-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00300-s001

>  <DOI>
10.3390/md11020300

$$$$

File : marinedrugs-11-00300-s001-mod.mol

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M  SAL   2  1  63
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M  SMT   2 Me
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M  STY  1   3 SUP
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M  SMT   3 Me
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M  SAL   4  1  65
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M  END
>  <MOL_ID>
marinedrugs-11-00300-s001-mod

>  <DOI>
10.3390/md11020300

$$$$

File : marinedrugs-11-00274-s008.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00274-s008

>  <DOI>
10.3390/md11020274

$$$$

File : marinedrugs-11-00274-s008-mod.mol

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>  <MOL_ID>
marinedrugs-11-00274-s008-mod

>  <DOI>
10.3390/md11020274

$$$$

File : marinedrugs-11-00274-s007.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00274-s007

>  <DOI>
10.3390/md11020274

$$$$

File : marinedrugs-11-00274-s007-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00274-s007-mod

>  <DOI>
10.3390/md11020274

$$$$

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>  <DOI>
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>  <MOL_ID>
marinedrugs-11-00274-s006-mod

>  <DOI>
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>  <MOL_ID>
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>  <DOI>
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>  <MOL_ID>
marinedrugs-11-00274-s005-mod

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>  <DOI>
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>  <MOL_ID>
marinedrugs-11-00274-s004-mod

>  <DOI>
10.3390/md11020274

$$$$

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>  <MOL_ID>
marinedrugs-11-00274-s003

>  <DOI>
10.3390/md11020274

$$$$

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>  <MOL_ID>
marinedrugs-11-00274-s003-mod

>  <DOI>
10.3390/md11020274

$$$$

File : marinedrugs-11-00274-s002.mol

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>  <MOL_ID>
marinedrugs-11-00274-s002

>  <DOI>
10.3390/md11020274

$$$$

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>  <MOL_ID>
marinedrugs-11-00274-s002-mod

>  <DOI>
10.3390/md11020274

$$$$

File : marinedrugs-11-00213-s003.mol

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>  <MOL_ID>
marinedrugs-11-00213-s003

>  <DOI>
10.3390/md11010213

$$$$

File : marinedrugs-11-00213-s003-mod.mol

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  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  3 10  1  0
 10 11  1  0
 11 12  1  0
 12  4  1  0
  6 13  1  0
 13 14  1  0
 14 15  1  0
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  2 17  2  0
  8 18  2  0
  6 19  1  0
  5 20  1  0
 12 21  1  0
 12 22  1  0
 11 23  1  4
 23 24  1  0
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 24 26  2  0
 24 27  1  0
 15 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  2  0
 29 32  1  0
M  CHG  4  17   1  18   1  27  -1  32  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  5  23  24  25  26  27
M  SBL   1  1  25
M  SMT   1 OSO3-
M  SBV   1 25   -6.8534    4.3969
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  5  28  29  30  31  32
M  SBL   2  1  30
M  SMT   2 NHSO3-
M  SBV   2 30   -7.6061    6.6968
M  END
>  <MOL_ID>
marinedrugs-11-00213-s003-mod

>  <DOI>
10.3390/md11010213

$$$$

File : marinedrugs-11-00194-s001.mol

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R
A   24
R
A   28
OSO3-
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M  ZZJ  28   ACD/Labs07081410522D
M  ZZJ  28
M  ZZJ  28   5  4  0  0  0  0  0  0  0  0  2 V2000
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M  ZZJ  28   2  3  2  0  0  0  0
M  ZZJ  28   2  4  2  0  0  0  0
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M  ZZJ  28 M  END
A   29
OSO3-
M  ZZJ  29
M  ZZJ  29   ACD/Labs07081410522D
M  ZZJ  29
M  ZZJ  29   5  4  0  0  0  0  0  0  0  0  2 V2000
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M  ZZJ  29   2  5  1  0  0  0  0
M  ZZJ  29 M  CHG  1   5  -1
M  ZZJ  29 M  END
A   30
OSO3-
M  ZZJ  30
M  ZZJ  30   ACD/Labs07081410522D
M  ZZJ  30
M  ZZJ  30   5  4  0  0  0  0  0  0  0  0  2 V2000
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M  ZZJ  30 M  END
A   31
OSO3-
M  ZZJ  31
M  ZZJ  31   ACD/Labs07081410522D
M  ZZJ  31
M  ZZJ  31   5  4  0  0  0  0  0  0  0  0  2 V2000
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A   32
OSO3-
M  ZZJ  32
M  ZZJ  32   ACD/Labs07081410522D
M  ZZJ  32
M  ZZJ  32   5  4  0  0  0  0  0  0  0  0  2 V2000
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M  ZZJ  32   2  3  2  0  0  0  0
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A   33
OSO3-
M  ZZJ  33
M  ZZJ  33   ACD/Labs07081410522D
M  ZZJ  33
M  ZZJ  33   5  4  0  0  0  0  0  0  0  0  2 V2000
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M  ZZJ  33 M  CHG  1   5  -1
M  ZZJ  33 M  END
M  ZZE  3  22  23  24  23  28  23
M  END
>  <MOL_ID>
marinedrugs-11-00194-s001

>  <DOI>
10.3390/md11010194

$$$$

File : marinedrugs-11-00194-s001-mod.mol

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A   23
R
A   24
R
A   28
OSO3-
M  ZZJ  28
M  ZZJ  28   ACD/Labs07081410522D
M  ZZJ  28
M  ZZJ  28   5  4  0  0  0  0  0  0  0  0  2 V2000
M  ZZJ  28     5.8450   -1.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  28     5.1800   -2.5565    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  28     6.3318   -3.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  28     4.0281   -1.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  28     4.5150   -3.7083    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  ZZJ  28   1  2  1  0  0  0  0
M  ZZJ  28   2  3  2  0  0  0  0
M  ZZJ  28   2  4  2  0  0  0  0
M  ZZJ  28   2  5  1  0  0  0  0
M  ZZJ  28 M  CHG  1   5  -1
M  ZZJ  28 M  END
A   29
OSO3-
M  ZZJ  29
M  ZZJ  29   ACD/Labs07081410522D
M  ZZJ  29
M  ZZJ  29   5  4  0  0  0  0  0  0  0  0  2 V2000
M  ZZJ  29    -6.7810    1.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  29    -5.6291    2.5565    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  29    -6.2941    3.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  29    -4.9641    1.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  29    -4.4774    3.2215    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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M  ZZJ  29   2  3  2  0  0  0  0
M  ZZJ  29   2  4  2  0  0  0  0
M  ZZJ  29   2  5  1  0  0  0  0
M  ZZJ  29 M  CHG  1   5  -1
M  ZZJ  29 M  END
A   30
OSO3-
M  ZZJ  30
M  ZZJ  30   ACD/Labs07081410522D
M  ZZJ  30
M  ZZJ  30   5  4  0  0  0  0  0  0  0  0  2 V2000
M  ZZJ  30    -4.1631   -1.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  30    -4.8281   -2.5565    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  ZZJ  30   2  4  2  0  0  0  0
M  ZZJ  30   2  5  1  0  0  0  0
M  ZZJ  30 M  CHG  1   5  -1
M  ZZJ  30 M  END
A   31
OSO3-
M  ZZJ  31
M  ZZJ  31   ACD/Labs07081410522D
M  ZZJ  31
M  ZZJ  31   5  4  0  0  0  0  0  0  0  0  2 V2000
M  ZZJ  31    -1.8932    1.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  31    -0.7416    2.5565    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  31    -1.4066    3.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  ZZJ  31   2  4  2  0  0  0  0
M  ZZJ  31   2  5  1  0  0  0  0
M  ZZJ  31 M  CHG  1   5  -1
M  ZZJ  31 M  END
A   32
OSO3-
M  ZZJ  32
M  ZZJ  32   ACD/Labs07081410522D
M  ZZJ  32
M  ZZJ  32   5  4  0  0  0  0  0  0  0  0  2 V2000
M  ZZJ  32     3.2271    1.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  32     4.3789    2.5565    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  32     3.7140    3.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  32     5.0439    1.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  32     5.5308    3.2215    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  ZZJ  32   1  2  1  0  0  0  0
M  ZZJ  32   2  3  2  0  0  0  0
M  ZZJ  32   2  4  2  0  0  0  0
M  ZZJ  32   2  5  1  0  0  0  0
M  ZZJ  32 M  CHG  1   5  -1
M  ZZJ  32 M  END
A   33
OSO3-
M  ZZJ  33
M  ZZJ  33   ACD/Labs07081410522D
M  ZZJ  33
M  ZZJ  33   5  4  0  0  0  0  0  0  0  0  2 V2000
M  ZZJ  33     0.7245   -1.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  33     0.0595   -2.5565    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  33     1.2113   -3.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  33    -1.0922   -1.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  ZZJ  33    -0.6055   -3.7083    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  ZZJ  33   1  2  1  0  0  0  0
M  ZZJ  33   2  3  2  0  0  0  0
M  ZZJ  33   2  4  2  0  0  0  0
M  ZZJ  33   2  5  1  0  0  0  0
M  ZZJ  33 M  CHG  1   5  -1
M  ZZJ  33 M  END
M  ZZE  3  22  23  24  23  28  23
M  END
>  <MOL_ID>
marinedrugs-11-00194-s001-mod

>  <DOI>
10.3390/md11010194

$$$$

File : marinedrugs-11-00184-s001.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00184-s001

>  <DOI>
10.3390/md11010184

$$$$

File : marinedrugs-11-00184-s001-mod.mol

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M  SAL   3  2 118 119
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M  SMT   3 CH2OH
M  SBV   3119   -7.2699    8.7351
M  END
>  <MOL_ID>
marinedrugs-11-00184-s001-mod

>  <DOI>
10.3390/md11010184

$$$$

File : marinedrugs-11-00165-s009.mol

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>  <MOL_ID>
marinedrugs-11-00165-s009

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00165-s009-mod.mol

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>  <MOL_ID>
marinedrugs-11-00165-s009-mod

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00165-s008.mol

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>  <MOL_ID>
marinedrugs-11-00165-s008

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00165-s008-mod.mol

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>  <MOL_ID>
marinedrugs-11-00165-s008-mod

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00165-s007.mol

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>  <MOL_ID>
marinedrugs-11-00165-s007

>  <DOI>
10.3390/md11010165

$$$$

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>  <MOL_ID>
marinedrugs-11-00165-s007-mod

>  <DOI>
10.3390/md11010165

$$$$

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>  <MOL_ID>
marinedrugs-11-00165-s006

>  <DOI>
10.3390/md11010165

$$$$

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>  <MOL_ID>
marinedrugs-11-00165-s006-mod

>  <DOI>
10.3390/md11010165

$$$$

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>  <MOL_ID>
marinedrugs-11-00165-s005

>  <DOI>
10.3390/md11010165

$$$$

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>  <MOL_ID>
marinedrugs-11-00165-s005-mod

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00165-s004.mol

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>  <MOL_ID>
marinedrugs-11-00165-s004

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00165-s004-mod.mol

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>  <MOL_ID>
marinedrugs-11-00165-s004-mod

>  <DOI>
10.3390/md11010165

$$$$

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M  END
>  <MOL_ID>
marinedrugs-11-00165-s003

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00165-s003-mod.mol

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M  END
>  <MOL_ID>
marinedrugs-11-00165-s003-mod

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00165-s002.mol

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>  <MOL_ID>
marinedrugs-11-00165-s002

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00165-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-00165-s002-mod

>  <DOI>
10.3390/md11010165

$$$$

File : marinedrugs-11-00136-s003.mol

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>  <MOL_ID>
marinedrugs-11-00136-s003

>  <DOI>
10.3390/md11010136

$$$$

File : marinedrugs-11-00136-s003-mod.mol

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>  <MOL_ID>
marinedrugs-11-00136-s003-mod

>  <DOI>
10.3390/md11010136

$$$$

File : marinedrugs-11-00136-s002.mol

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>  <MOL_ID>
marinedrugs-11-00136-s002

>  <DOI>
10.3390/md11010136

$$$$

File : marinedrugs-11-00136-s002-mod.mol

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>  <MOL_ID>
marinedrugs-11-00136-s002-mod

>  <DOI>
10.3390/md11010136

$$$$

File : marinedrugs-11-00136-s001.mol

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>  <MOL_ID>
marinedrugs-11-00136-s001

>  <DOI>
10.3390/md11010136

$$$$

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>  <MOL_ID>
marinedrugs-11-00136-s001-mod

>  <DOI>
10.3390/md11010136

$$$$

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>  <MOL_ID>
marinedrugs-11-00124-s012

>  <DOI>
10.3390/md11010124

$$$$

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>  <MOL_ID>
marinedrugs-11-00124-s012-mod

>  <DOI>
10.3390/md11010124

$$$$

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>  <MOL_ID>
marinedrugs-11-00124-s011

>  <DOI>
10.3390/md11010124

$$$$

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>  <MOL_ID>
marinedrugs-11-00124-s011-mod

>  <DOI>
10.3390/md11010124

$$$$

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>  <MOL_ID>
marinedrugs-11-00124-s010

>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s010-mod

>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s009

>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s009-mod

>  <DOI>
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>  <MOL_ID>
marinedrugs-11-00124-s008

>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s008-mod

>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s007

>  <DOI>
10.3390/md11010124

$$$$

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marinedrugs-11-00124-s006

>  <DOI>
10.3390/md11010124

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marinedrugs-11-00124-s006-mod

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>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s005-mod

>  <DOI>
10.3390/md11010124

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>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s004-mod

>  <DOI>
10.3390/md11010124

$$$$

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>  <MOL_ID>
marinedrugs-11-00124-s003

>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s003-mod

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10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s002

>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00124-s002-mod

>  <DOI>
10.3390/md11010124

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>  <MOL_ID>
marinedrugs-11-00114-s006

>  <DOI>
10.3390/md11010114

$$$$

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>  <MOL_ID>
marinedrugs-11-00114-s006-mod

>  <DOI>
10.3390/md11010114

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>  <MOL_ID>
marinedrugs-11-00114-s005

>  <DOI>
10.3390/md11010114

$$$$

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>  <MOL_ID>
marinedrugs-11-00114-s005-mod

>  <DOI>
10.3390/md11010114

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>  <MOL_ID>
marinedrugs-11-00114-s004

>  <DOI>
10.3390/md11010114

$$$$

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>  <MOL_ID>
marinedrugs-11-00114-s004-mod

>  <DOI>
10.3390/md11010114

$$$$

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>  <DOI>
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marinedrugs-11-00114-s003-mod

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10.3390/md11010114

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>  <MOL_ID>
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>  <DOI>
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>  <DOI>
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marinedrugs-11-00033-s004-mod

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10.3390/md11010033

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marinedrugs-11-00033-s003

>  <DOI>
10.3390/md11010033

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marinedrugs-11-00033-s003-mod

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marinedrugs-11-00033-s002

>  <DOI>
10.3390/md11010033

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>  <MOL_ID>
marinedrugs-11-00033-s002-mod

>  <DOI>
10.3390/md11010033

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>  <DOI>
10.3390/md11010033

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10.3390/md11010033

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>  <MOL_ID>
marinedrugs-11-00001-s005

>  <DOI>
10.3390/md11010001

$$$$

File : marinedrugs-11-00001-s005-mod.mol

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>  <MOL_ID>
marinedrugs-11-00001-s005-mod

>  <DOI>
10.3390/md11010001

$$$$

File : marinedrugs-11-00001-s004.mol

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>  <MOL_ID>
marinedrugs-11-00001-s004

>  <DOI>
10.3390/md11010001

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>  <MOL_ID>
marinedrugs-11-00001-s004-mod

>  <DOI>
10.3390/md11010001

$$$$

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>  <MOL_ID>
marinedrugs-11-00001-s003

>  <DOI>
10.3390/md11010001

$$$$

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>  <MOL_ID>
marinedrugs-11-00001-s003-mod

>  <DOI>
10.3390/md11010001

$$$$

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>  <MOL_ID>
marinedrugs-11-00001-s002

>  <DOI>
10.3390/md11010001

$$$$

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>  <MOL_ID>
marinedrugs-11-00001-s002-mod

>  <DOI>
10.3390/md11010001

$$$$

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>  <MOL_ID>
molbank-2021-M1294-s002

>  <DOI>
10.3390/M1294

$$$$

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>  <MOL_ID>
molbank-2021-M1294-s002-mod

>  <DOI>
10.3390/M1294

$$$$

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>  <MOL_ID>
molbank-2021-M1293-s002

>  <DOI>
10.3390/M1293

$$$$

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>  <MOL_ID>
molbank-2021-M1293-s002-mod

>  <DOI>
10.3390/M1293

$$$$

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>  <MOL_ID>
molbank-2021-M1292-s003

>  <DOI>
10.3390/M1292

$$$$

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M  END
>  <MOL_ID>
molbank-2021-M1292-s003-mod

>  <DOI>
10.3390/M1292

$$$$

File : molbank-2021-M1292-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1292-s002

>  <DOI>
10.3390/M1292

$$$$

File : molbank-2021-M1292-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1292-s002-mod

>  <DOI>
10.3390/M1292

$$$$

File : molbank-2021-M1291-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1291-s002

>  <DOI>
10.3390/M1291

$$$$

File : molbank-2021-M1291-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1291-s002-mod

>  <DOI>
10.3390/M1291

$$$$

File : molbank-2021-M1290-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1290-s002

>  <DOI>
10.3390/M1290

$$$$

File : molbank-2021-M1290-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1290-s002-mod

>  <DOI>
10.3390/M1290

$$$$

File : molbank-2021-M1289-s003.mol

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>  <MOL_ID>
molbank-2021-M1289-s003

>  <DOI>
10.3390/M1289

$$$$

File : molbank-2021-M1289-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1289-s003-mod

>  <DOI>
10.3390/M1289

$$$$

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>  <MOL_ID>
molbank-2021-M1289-s002

>  <DOI>
10.3390/M1289

$$$$

File : molbank-2021-M1289-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1289-s002-mod

>  <DOI>
10.3390/M1289

$$$$

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>  <MOL_ID>
molbank-2021-M1288-s001

>  <DOI>
10.3390/M1288

$$$$

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>  <MOL_ID>
molbank-2021-M1288-s001-mod

>  <DOI>
10.3390/M1288

$$$$

File : molbank-2021-M1287-s002.mol

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>  <MOL_ID>
molbank-2021-M1287-s002

>  <DOI>
10.3390/M1287

$$$$

File : molbank-2021-M1287-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1287-s002-mod

>  <DOI>
10.3390/M1287

$$$$

File : molbank-2021-M1286-s002.mol

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>  <MOL_ID>
molbank-2021-M1286-s002

>  <DOI>
10.3390/M1286

$$$$

File : molbank-2021-M1286-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1286-s002-mod

>  <DOI>
10.3390/M1286

$$$$

File : molbank-2021-M1285-s002.mol

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>  <MOL_ID>
molbank-2021-M1285-s002

>  <DOI>
10.3390/M1285

$$$$

File : molbank-2021-M1285-s002-mod.mol

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molbank-2021-M1285-s002-mod

>  <DOI>
10.3390/M1285

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>  <MOL_ID>
molbank-2021-M1284-s016

>  <DOI>
10.3390/M1284

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>  <MOL_ID>
molbank-2021-M1284-s016-mod

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s015

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s015-mod

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s014

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s014-mod

>  <DOI>
10.3390/M1284

$$$$

File : molbank-2021-M1284-s013.mol

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>  <MOL_ID>
molbank-2021-M1284-s013

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s013-mod

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s012

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s012-mod

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s011

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s011-mod

>  <DOI>
10.3390/M1284

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>  <MOL_ID>
molbank-2021-M1284-s010

>  <DOI>
10.3390/M1284

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>  <MOL_ID>
molbank-2021-M1284-s010-mod

>  <DOI>
10.3390/M1284

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>  <MOL_ID>
molbank-2021-M1284-s009

>  <DOI>
10.3390/M1284

$$$$

File : molbank-2021-M1284-s009-mod.mol

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>  <MOL_ID>
molbank-2021-M1284-s009-mod

>  <DOI>
10.3390/M1284

$$$$

File : molbank-2021-M1284-s008.mol

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>  <MOL_ID>
molbank-2021-M1284-s008

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s008-mod

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s007

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s007-mod

>  <DOI>
10.3390/M1284

$$$$

File : molbank-2021-M1284-s006.mol

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>  <MOL_ID>
molbank-2021-M1284-s006

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s006-mod

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s005

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s005-mod

>  <DOI>
10.3390/M1284

$$$$

File : molbank-2021-M1284-s004.mol

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>  <MOL_ID>
molbank-2021-M1284-s004

>  <DOI>
10.3390/M1284

$$$$

File : molbank-2021-M1284-s004-mod.mol

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>  <MOL_ID>
molbank-2021-M1284-s004-mod

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s003

>  <DOI>
10.3390/M1284

$$$$

File : molbank-2021-M1284-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1284-s003-mod

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s002

>  <DOI>
10.3390/M1284

$$$$

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>  <MOL_ID>
molbank-2021-M1284-s002-mod

>  <DOI>
10.3390/M1284

$$$$

File : molbank-2021-M1283-s002.mol

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>  <MOL_ID>
molbank-2021-M1283-s002

>  <DOI>
10.3390/M1283

$$$$

File : molbank-2021-M1283-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1283-s002-mod

>  <DOI>
10.3390/M1283

$$$$

File : molbank-2021-M1281-s002.mol

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>  <MOL_ID>
molbank-2021-M1281-s002

>  <DOI>
10.3390/M1281

$$$$

File : molbank-2021-M1281-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1281-s002-mod

>  <DOI>
10.3390/M1281

$$$$

File : molbank-2021-M1280-s001.mol

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>  <MOL_ID>
molbank-2021-M1280-s001

>  <DOI>
10.3390/M1280

$$$$

File : molbank-2021-M1280-s001-mod.mol

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>  <MOL_ID>
molbank-2021-M1280-s001-mod

>  <DOI>
10.3390/M1280

$$$$

File : molbank-2021-M1279-s002.mol

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>  <MOL_ID>
molbank-2021-M1279-s002

>  <DOI>
10.3390/M1279

$$$$

File : molbank-2021-M1279-s002-mod.mol

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    3.3293    1.1569    2.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    2.5369    1.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9301    2.5459    2.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2514    3.2529    2.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7052    3.9623    1.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0185    3.9578    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    3.2499    0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1904    4.8555    1.4700 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  2  0
  2 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
M  END
>  <MOL_ID>
molbank-2021-M1279-s002-mod

>  <DOI>
10.3390/M1279

$$$$

File : molbank-2021-M1278-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 66 75 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C -0.714471 0.825000 0.000000 0
M  V30 3 C 0.000000 0.412500 0.000000 0
M  V30 4 C 0.714471 0.825000 0.000000 0
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M  V30 8 C 1.428942 0.412500 0.000000 0
M  V30 9 C 2.143413 0.825000 0.000000 0
M  V30 10 C -2.143413 0.825000 0.000000 0
M  V30 11 C -2.857884 0.412500 0.000000 0
M  V30 12 C 2.857884 0.412500 0.000000 0
M  V30 13 C -3.572355 0.825000 0.000000 0
M  V30 14 C -4.286826 0.412500 0.000000 0
M  V30 15 C -4.286826 -0.412500 0.000000 0
M  V30 16 C -3.572355 -0.825000 0.000000 0
M  V30 17 C -2.857884 -0.412500 0.000000 0
M  V30 18 C 2.857884 -0.412500 0.000000 0
M  V30 19 C 3.572355 -0.825000 0.000000 0
M  V30 20 C 4.286826 -0.412500 0.000000 0
M  V30 21 C 4.286826 0.412500 0.000000 0
M  V30 22 C 3.572355 0.825000 0.000000 0
M  V30 23 C -5.001297 -0.825000 0.000000 0
M  V30 24 C 5.001297 -0.825000 0.000000 0
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M  V30 27 C -6.430238 -1.650000 0.000000 0
M  V30 28 C -5.715768 -2.062499 0.000000 0
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M  V30 31 C 5.715768 -2.062500 0.000000 0
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M  V30 42 C -0.714471 3.300000 0.000000 0
M  V30 43 C -7.859181 -1.650000 0.000000 0
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M  V30 47 C -7.859181 -0.825000 0.000000 0
M  V30 48 C -8.573652 -0.412499 0.000000 0
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M  V30 51 C -8.573652 -2.062500 0.000000 0
M  V30 52 C -7.859181 -3.300000 0.000000 0
M  V30 53 C -7.859181 -4.125000 0.000000 0
M  V30 54 C -7.144709 -4.537500 0.000000 0
M  V30 55 C -6.430238 -4.125000 0.000000 0
M  V30 56 C -6.430238 -3.300000 0.000000 0
M  V30 57 C 6.430238 -3.300000 0.000000 0
M  V30 58 C 6.430238 -4.125000 0.000000 0
M  V30 59 C 7.144709 -4.537500 0.000000 0
M  V30 60 C 7.859181 -4.125000 0.000000 0
M  V30 61 C 7.859181 -3.300000 0.000000 0
M  V30 62 C 8.573652 -2.062500 0.000000 0
M  V30 63 C 9.288122 -1.650000 0.000000 0
M  V30 64 C 9.288122 -0.825000 0.000000 0
M  V30 65 C 8.573652 -0.412500 0.000000 0
M  V30 66 C 7.859181 -0.825000 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 2 7
M  V30 8 1 4 8
M  V30 9 2 8 9
M  V30 10 2 7 10
M  V30 11 1 10 11
M  V30 12 1 9 12
M  V30 13 2 11 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 17 2 16 17
M  V30 18 1 17 11
M  V30 19 2 12 18
M  V30 20 1 18 19
M  V30 21 2 19 20
M  V30 22 1 20 21
M  V30 23 2 21 22
M  V30 24 1 22 12
M  V30 25 1 15 23
M  V30 26 1 20 24
M  V30 27 2 23 25
M  V30 28 1 25 26
M  V30 29 2 26 27
M  V30 30 1 27 28
M  V30 31 2 28 29
M  V30 32 1 29 23
M  V30 33 2 24 30
M  V30 34 1 30 31
M  V30 35 2 31 32
M  V30 36 1 32 33
M  V30 37 2 33 34
M  V30 38 1 34 24
M  V30 39 1 27 35
M  V30 40 1 32 36
M  V30 41 1 6 37
M  V30 42 2 37 38
M  V30 43 1 38 39
M  V30 44 2 39 40
M  V30 45 1 40 41
M  V30 46 2 41 42
M  V30 47 1 42 37
M  V30 48 1 35 43
M  V30 49 1 35 44
M  V30 50 1 36 45
M  V30 51 1 36 46
M  V30 52 2 43 47
M  V30 53 1 47 48
M  V30 54 2 48 49
M  V30 55 1 49 50
M  V30 56 2 50 51
M  V30 57 1 51 43
M  V30 58 2 44 52
M  V30 59 1 52 53
M  V30 60 2 53 54
M  V30 61 1 54 55
M  V30 62 2 55 56
M  V30 63 1 56 44
M  V30 64 2 46 57
M  V30 65 1 57 58
M  V30 66 2 58 59
M  V30 67 1 59 60
M  V30 68 2 60 61
M  V30 69 1 61 46
M  V30 70 2 45 62
M  V30 71 1 62 63
M  V30 72 2 63 64
M  V30 73 1 64 65
M  V30 74 2 65 66
M  V30 75 1 66 45
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1278-s002

>  <DOI>
10.3390/M1278

$$$$

File : molbank-2021-M1278-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 66 75 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N  5.042013 4.912225 -3.955549 0
M  V30 2 C  4.988413 6.239246 -3.817296 0
M  V30 3 C  3.796399 6.828876 -3.382967 0
M  V30 4 C  2.704249 5.996340 -3.115953 0
M  V30 5 N  2.837855 4.678450 -3.284025 0
M  V30 6 C  3.983915 4.158479 -3.697134 0
M  V30 7 C  6.168084 7.069059 -4.111817 0
M  V30 8 C  1.426384 6.564929 -2.656909 0
M  V30 9 C  0.382824 5.755685 -2.403556 0
M  V30 10 C  7.308853 6.492049 -4.528693 0
M  V30 11 C  8.488422 7.321791 -4.823188 0
M  V30 12 C  -0.894930 6.324225 -1.944552 0
M  V30 13 C  9.675772 6.722280 -5.256985 0
M  V30 14 C  10.773436 7.496772 -5.531308 0
M  V30 15 C  10.706784 8.882537 -5.378019 0
M  V30 16 C  9.523161 9.482307 -4.944892 0
M  V30 17 C  8.421805 8.711414 -4.675189 0
M  V30 18 C  -1.981249 5.482981 -1.680707 0
M  V30 19 C  -3.170602 6.014257 -1.252759 0
M  V30 20 C  -3.297971 7.393503 -1.080297 0
M  V30 21 C  -2.215370 8.234329 -1.343492 0
M  V30 22 C  -1.022781 7.705958 -1.766052 0
M  V30 23 C  11.894081 9.717870 -5.674971 0
M  V30 24 C  -4.584111 7.965796 -0.617737 0
M  V30 25 C  11.829569 11.103094 -5.522412 0
M  V30 26 C  12.935013 11.877874 -5.799224 0
M  V30 27 C  14.114166 11.280004 -6.230800 0
M  V30 28 C  14.180882 9.899315 -6.383627 0
M  V30 29 C  13.079920 9.119838 -6.102078 0
M  V30 30 C  -4.713513 9.344056 -0.444725 0
M  V30 31 C  -5.910571 9.873963 -0.014417 0
M  V30 32 C  -6.989033 9.035941 0.247782 0
M  V30 33 C  -6.862435 7.661682 0.076043 0
M  V30 34 C  -5.669244 7.127730 -0.360033 0
M  V30 35 N  15.232694 12.067249 -6.511550 0
M  V30 36 N  -8.200703 9.575140 0.684589 0
M  V30 37 C  4.087270 2.688705 -3.869568 0
M  V30 38 C  5.282323 2.117708 -4.303073 0
M  V30 39 C  5.372941 0.749682 -4.461315 0
M  V30 40 C  4.280573 -0.054399 -4.190069 0
M  V30 41 C  3.090195 0.507453 -3.764968 0
M  V30 42 C  2.989811 1.873803 -3.598212 0
M  V30 43 C  16.342779 12.032563 -5.662543 0
M  V30 44 C  15.242463 12.890114 -7.641641 0
M  V30 45 C  -9.308904 9.585214 -0.167523 0
M  V30 46 C  -8.305610 10.104904 1.974027 0
M  V30 47 C  16.270858 12.604999 -4.398677 0
M  V30 48 C  17.369175 12.568517 -3.562398 0
M  V30 49 C  18.539583 11.962673 -3.981518 0
M  V30 50 C  18.614653 11.391878 -5.238946 0
M  V30 51 C  17.518610 11.420523 -6.078526 0
M  V30 52 C  16.303172 13.760399 -7.860074 0
M  V30 53 C  16.309830 14.571492 -8.977694 0
M  V30 54 C  15.262482 14.517847 -9.879220 0
M  V30 55 C  14.205044 13.652716 -9.664886 0
M  V30 56 C  14.194271 12.835346 -8.551864 0
M  V30 57 C  -9.472461 10.746454 2.370369 0
M  V30 58 C  -9.572865 11.268194 3.645005 0
M  V30 59 C  -8.513783 11.152262 4.526748 0
M  V30 60 C  -7.350816 10.514277 4.135532 0
M  V30 61 C  -7.245398 9.985995 2.863985 0
M  V30 62 C  -9.336823 10.438746 -1.263387 0
M  V30 63 C  -10.432916 10.445767 -2.103341 0
M  V30 64 C  -11.501819 9.604151 -1.854959 0
M  V30 65 C  -11.477348 8.753255 -0.765031 0
M  V30 66 C  -10.382373 8.737609 0.076284 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 2 1 2 3
M  V30 7 1 2 7
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 8 1 4 8
M  V30 5 2 5 6
M  V30 41 1 6 37
M  V30 10 2 7 10
M  V30 9 2 8 9
M  V30 12 1 9 12
M  V30 11 1 10 11
M  V30 13 2 11 13
M  V30 18 1 17 11
M  V30 19 2 12 18
M  V30 24 1 22 12
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 25 1 15 23
M  V30 17 2 16 17
M  V30 20 1 18 19
M  V30 21 2 19 20
M  V30 22 1 20 21
M  V30 26 1 20 24
M  V30 23 2 21 22
M  V30 27 2 23 25
M  V30 32 1 29 23
M  V30 33 2 24 30
M  V30 38 1 34 24
M  V30 28 1 25 26
M  V30 29 2 26 27
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M  V30 39 1 27 35
M  V30 31 2 28 29
M  V30 34 1 30 31
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M  V30 40 1 32 36
M  V30 37 2 33 34
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M  V30 42 2 37 38
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M  V30 44 2 39 40
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M  V30 52 2 43 47
M  V30 57 1 51 43
M  V30 58 2 44 52
M  V30 63 1 56 44
M  V30 70 2 45 62
M  V30 75 1 66 45
M  V30 64 2 46 57
M  V30 69 1 61 46
M  V30 53 1 47 48
M  V30 54 2 48 49
M  V30 55 1 49 50
M  V30 56 2 50 51
M  V30 59 1 52 53
M  V30 60 2 53 54
M  V30 61 1 54 55
M  V30 62 2 55 56
M  V30 65 1 57 58
M  V30 66 2 58 59
M  V30 67 1 59 60
M  V30 68 2 60 61
M  V30 71 1 62 63
M  V30 72 2 63 64
M  V30 73 1 64 65
M  V30 74 2 65 66
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1278-s002-mod

>  <DOI>
10.3390/M1278

$$$$

File : molbank-2021-M1276-s002.mol

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M  SAL   4  2  46  47
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M  END
>  <MOL_ID>
molbank-2021-M1276-s002

>  <DOI>
10.3390/M1276

$$$$

File : molbank-2021-M1276-s002-mod.mol

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M  SAL   3  2  44  45
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  46  47
M  SBL   4  1  51
M  SMT   4 OMe
M  SBV   4 51  -16.3401    6.5870
M  END
>  <MOL_ID>
molbank-2021-M1276-s002-mod

>  <DOI>
10.3390/M1276

$$$$

File : molbank-2021-M1277-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1277-s002

>  <DOI>
10.3390/M1277

$$$$

File : molbank-2021-M1277-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1277-s002-mod

>  <DOI>
10.3390/M1277

$$$$

File : molbank-2021-M1275-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1275-s002

>  <DOI>
10.3390/M1275

$$$$

File : molbank-2021-M1275-s002-mod.mol

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M  SBL   1  1  31
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M  SBL   2  1  34
M  SMT   2 OCH2CH3
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M  END
>  <MOL_ID>
molbank-2021-M1275-s002-mod

>  <DOI>
10.3390/M1275

$$$$

File : molbank-2021-M1274-s003.mol

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  18  19
M  SBL   2  1  19
M  SMT   2 CHO
M  SBV   2 19  -11.5588   11.6073
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  36  37
M  SBL   3  1  38
M  SMT   3 OCH3
M  SBV   3 38  -11.5588   11.6073
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  54  55
M  SBL   4  1  57
M  SMT   4 OCH3
M  SBV   4 57  -11.5588   11.6073
M  END
>  <MOL_ID>
molbank-2021-M1274-s003

>  <DOI>
10.3390/M1274

$$$$

File : molbank-2021-M1274-s003-mod.mol

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M  SLB  1   2   2
M  SAL   2  2  18  19
M  SBL   2  1  19
M  SMT   2 CHO
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M  SLB  1   3   3
M  SAL   3  2  36  37
M  SBL   3  1  38
M  SMT   3 OCH3
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M  STY  1   4 SUP
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M  SAL   4  2  54  55
M  SBL   4  1  57
M  SMT   4 OCH3
M  SBV   4 57  -11.5588   11.6073
M  END
>  <MOL_ID>
molbank-2021-M1274-s003-mod

>  <DOI>
10.3390/M1274

$$$$

File : molbank-2021-M1274-s002.mol

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M  SLB  1   1   1
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M  STY  1   2 SUP
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M  SBL   2  1  18
M  SMT   2 CHO
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M  SLB  1   3   3
M  SAL   3  3  19  20  21
M  SBL   3  1  21
M  SMT   3 N(CH3)2
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M  STY  1   4 SUP
M  SLB  1   4   4
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M  SBL   4  1  40
M  SMT   4 N(CH3)2
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M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  40  41
M  SBL   5  1  42
M  SMT   5 OCH3
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M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  3  57  58  59
M  SBL   6  1  61
M  SMT   6 N(CH3)2
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M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  60  61
M  SBL   7  1  63
M  SMT   7 OCH3
M  SBV   7 63  -12.6145   25.8285
M  END
>  <MOL_ID>
molbank-2021-M1274-s002

>  <DOI>
10.3390/M1274

$$$$

File : molbank-2021-M1274-s002-mod.mol

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M  SLB  1   2   2
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M  SBL   2  1  18
M  SMT   2 CHO
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M  SBL   3  1  21
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M  SLB  1   5   5
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M  SBL   5  1  42
M  SMT   5 OCH3
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M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  3  57  58  59
M  SBL   6  1  61
M  SMT   6 N(CH3)2
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M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  60  61
M  SBL   7  1  63
M  SMT   7 OCH3
M  SBV   7 63  -12.6145   25.8285
M  END
>  <MOL_ID>
molbank-2021-M1274-s002-mod

>  <DOI>
10.3390/M1274

$$$$

File : molbank-2021-M1273-s002.mol

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>  <MOL_ID>
molbank-2021-M1273-s002

>  <DOI>
10.3390/M1273

$$$$

File : molbank-2021-M1273-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1273-s002-mod

>  <DOI>
10.3390/M1273

$$$$

File : molbank-2021-M1272-s003.mol

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>  <MOL_ID>
molbank-2021-M1272-s003

>  <DOI>
10.3390/M1272

$$$$

File : molbank-2021-M1272-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1272-s003-mod

>  <DOI>
10.3390/M1272

$$$$

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>  <MOL_ID>
molbank-2021-M1272-s002

>  <DOI>
10.3390/M1272

$$$$

File : molbank-2021-M1272-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1272-s002-mod

>  <DOI>
10.3390/M1272

$$$$

File : molbank-2021-M1271-s002.mol

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>  <MOL_ID>
molbank-2021-M1271-s002

>  <DOI>
10.3390/M1271

$$$$

File : molbank-2021-M1271-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1271-s002-mod

>  <DOI>
10.3390/M1271

$$$$

File : molbank-2021-M1270-s002.mol

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M  SBL   4  1  63
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M  END
>  <MOL_ID>
molbank-2021-M1270-s002

>  <DOI>
10.3390/M1270

$$$$

File : molbank-2021-M1270-s002-mod.mol

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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  6  52  53  54  55  56  57
M  SBL   4  1  63
M  SMT   4 Ph
M  SBV   4 63  -11.4661    8.4862
M  END
>  <MOL_ID>
molbank-2021-M1270-s002-mod

>  <DOI>
10.3390/M1270

$$$$

File : molbank-2021-M1269-s002.mol

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>  <MOL_ID>
molbank-2021-M1269-s002

>  <DOI>
10.3390/M1269

$$$$

File : molbank-2021-M1269-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1269-s002-mod

>  <DOI>
10.3390/M1269

$$$$

File : molbank-2021-M1268-s002.mol

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>  <MOL_ID>
molbank-2021-M1268-s002

>  <DOI>
10.3390/M1268

$$$$

File : molbank-2021-M1268-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1268-s002-mod

>  <DOI>
10.3390/M1268

$$$$

File : molbank-2021-M1267-s003.mol

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>  <MOL_ID>
molbank-2021-M1267-s003

>  <DOI>
10.3390/M1267

$$$$

File : molbank-2021-M1267-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1267-s003-mod

>  <DOI>
10.3390/M1267

$$$$

File : molbank-2021-M1267-s002.mol

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>  <MOL_ID>
molbank-2021-M1267-s002

>  <DOI>
10.3390/M1267

$$$$

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>  <MOL_ID>
molbank-2021-M1267-s002-mod

>  <DOI>
10.3390/M1267

$$$$

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>  <MOL_ID>
molbank-2021-M1266-s004

>  <DOI>
10.3390/M1266

$$$$

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>  <MOL_ID>
molbank-2021-M1266-s004-mod

>  <DOI>
10.3390/M1266

$$$$

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>  <MOL_ID>
molbank-2021-M1266-s003

>  <DOI>
10.3390/M1266

$$$$

File : molbank-2021-M1266-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1266-s003-mod

>  <DOI>
10.3390/M1266

$$$$

File : molbank-2021-M1266-s002.mol

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molbank-2021-M1266-s002

>  <DOI>
10.3390/M1266

$$$$

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>  <MOL_ID>
molbank-2021-M1266-s002-mod

>  <DOI>
10.3390/M1266

$$$$

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>  <MOL_ID>
molbank-2021-M1265-s002

>  <DOI>
10.3390/M1265

$$$$

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>  <MOL_ID>
molbank-2021-M1265-s002-mod

>  <DOI>
10.3390/M1265

$$$$

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molbank-2021-M1264-s002

>  <DOI>
10.3390/M1264

$$$$

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>  <MOL_ID>
molbank-2021-M1264-s002-mod

>  <DOI>
10.3390/M1264

$$$$

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>  <MOL_ID>
molbank-2021-M1263-s002

>  <DOI>
10.3390/M1263

$$$$

File : molbank-2021-M1263-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1263-s002-mod

>  <DOI>
10.3390/M1263

$$$$

File : molbank-2021-M1262-s002.mol

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>  <MOL_ID>
molbank-2021-M1262-s002

>  <DOI>
10.3390/M1262

$$$$

File : molbank-2021-M1262-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1262-s002-mod

>  <DOI>
10.3390/M1262

$$$$

File : molbank-2021-M1261-s002.mol

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>  <MOL_ID>
molbank-2021-M1261-s002

>  <DOI>
10.3390/M1261

$$$$

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>  <MOL_ID>
molbank-2021-M1261-s002-mod

>  <DOI>
10.3390/M1261

$$$$

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>  <MOL_ID>
molbank-2021-M1260-s002

>  <DOI>
10.3390/M1260

$$$$

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>  <MOL_ID>
molbank-2021-M1260-s002-mod

>  <DOI>
10.3390/M1260

$$$$

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 34 35  1  0
 28 34  1  0
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  3  4  2  0
  4  5  1  0
  5  6  2  0
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  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
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  7 11  2  0
  3 12  1  0
  1 13  1  0
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 15 16  1  0
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 18 33  1  0
 17 20  1  0
  8 21  1  0
 22 23  2  0
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 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 29 32  1  0
 22 33  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  34  35
M  SBL   1  1   2
M  SMT   1 OMe
M  SBV   1   2   -0.7145   -0.4125
M  END
>  <MOL_ID>
molbank-2021-M1258-s002

>  <DOI>
10.3390/M1258

$$$$

File : molbank-2021-M1258-s002-mod.mol

 35 38  0  0  0  0  0  0  0  0999 V2000
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    5.8309   10.1491    2.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4094   10.0368   -0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3020    5.8257    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4665    4.4586   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3586    3.6248   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0735    4.1657   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010    5.5353   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5268    2.8329    1.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3377    2.0611    1.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738    1.5476    2.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412    0.7475    2.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1590    0.2141    3.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0005   -0.5373    3.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3109   -0.7589    2.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7914   -0.2346    1.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9462    0.5161    1.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2827   -0.7859    5.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
 34 35  1  0
 28 34  1  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  6  1  1  0
  4  7  1  0
  7  8  1  0
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  9 10  1  0
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  3 12  1  0
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 14 15  2  0
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 18 19  2  0
 19 14  1  0
 18 33  1  0
 17 20  1  0
  8 21  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 29 32  1  0
 22 33  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  34  35
M  SBL   1  1   2
M  SMT   1 OMe
M  SBV   1   2   -0.7145   -0.4125
M  END
>  <MOL_ID>
molbank-2021-M1258-s002-mod

>  <DOI>
10.3390/M1258

$$$$

File : molbank-2021-M1257-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.285475 0.412370 0.000000 0
M  V30 2 C -4.285475 -0.412370 0.000000 0
M  V30 3 C -3.571230 -0.824740 0.000000 0
M  V30 4 C -2.856984 -0.412370 0.000000 0
M  V30 5 C -2.856984 0.412370 0.000000 0
M  V30 6 C -3.571230 0.824740 0.000000 0
M  V30 7 C -2.142738 0.824740 0.000000 0
M  V30 8 C -1.428492 0.412370 0.000000 0
M  V30 9 C -2.142738 1.649481 0.000000 0
M  V30 10 N -1.428492 -0.412370 0.000000 0
M  V30 11 C -1.428492 2.061850 0.000000 0
M  V30 12 C -1.428492 2.886591 0.000000 0
M  V30 13 C -2.142738 3.298961 0.000000 0
M  V30 14 C -2.856984 2.886591 0.000000 0
M  V30 15 C -2.856984 2.061850 0.000000 0
M  V30 16 C -0.714246 -0.824740 0.000000 0
M  V30 17 C -0.714246 -1.649480 0.000000 0
M  V30 18 O 0.000000 -0.412370 0.000000 0
M  V30 19 C 0.000000 -2.061850 0.000000 0
M  V30 20 C -1.428492 -2.061850 0.000000 0
M  V30 21 C 0.000000 -2.886591 0.000000 0
M  V30 22 C 0.714246 -3.298961 0.000000 0
M  V30 23 C 1.428492 -2.886591 0.000000 0
M  V30 24 C 1.428492 -2.061850 0.000000 0
M  V30 25 C 0.714246 -1.649480 0.000000 0
M  V30 26 C 2.142738 -3.298961 0.000000 0
M  V30 27 C 2.856984 -2.886591 0.000000 0
M  V30 28 C 2.856984 -2.061850 0.000000 0
M  V30 29 C 2.142738 -1.649480 0.000000 0
M  V30 30 O 3.571230 -3.298961 0.000000 0
M  V30 31 C 4.285475 -2.886591 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 8 10
M  V30 11 2 9 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 9
M  V30 17 1 10 16
M  V30 18 1 16 17
M  V30 19 2 16 18
M  V30 20 1 17 19
M  V30 21 1 17 20
M  V30 22 2 19 21
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 25 1 23 24
M  V30 26 2 24 25
M  V30 27 1 25 19
M  V30 28 1 23 26
M  V30 29 2 26 27
M  V30 30 1 27 28
M  V30 31 2 28 29
M  V30 32 1 29 24
M  V30 33 1 27 30
M  V30 34 1 30 31
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1257-s002

>  <DOI>
10.3390/M1257

$$$$

File : molbank-2021-M1257-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 34 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  6.640331 -4.361950 5.290044 0
M  V30 2 C  5.523186 -4.827059 5.958295 0
M  V30 3 C  4.260484 -4.456210 5.535269 0
M  V30 4 C  4.114927 -3.620258 4.443999 0
M  V30 5 C  5.232072 -3.155148 3.775749 0
M  V30 6 C  6.494601 -3.530206 4.195568 0
M  V30 7 C  5.073375 -2.244169 2.585799 0
M  V30 8 C  4.172470 -1.066122 2.961930 0
M  V30 9 C  4.450289 -3.009437 1.446862 0
M  V30 10 N  4.114293 -0.119799 1.845098 0
M  V30 11 C  5.189533 -3.281970 0.311018 0
M  V30 12 C  4.618115 -3.984290 -0.733539 0
M  V30 13 C  3.307449 -4.414081 -0.642260 0
M  V30 14 C  2.568205 -4.141548 0.493584 0
M  V30 15 C  3.141274 -3.443772 1.540299 0
M  V30 16 C  3.374952 1.002151 1.950310 0
M  V30 17 C  3.315106 1.975604 0.801459 0
M  V30 18 O  2.757804 1.228339 2.969564 0
M  V30 19 C  2.427744 3.135942 1.171936 0
M  V30 20 C  2.747010 1.273014 -0.433261 0
M  V30 21 C  1.092336 2.903029 1.493967 0
M  V30 22 C  0.262902 3.929294 1.828366 0
M  V30 23 C  0.760373 5.243285 1.860324 0
M  V30 24 C  2.119209 5.480132 1.532622 0
M  V30 25 C  2.943132 4.395902 1.187352 0
M  V30 26 C  -0.064753 6.326438 2.205257 0
M  V30 27 C  0.451830 7.590539 2.220309 0
M  V30 28 C  1.792650 7.821698 1.896654 0
M  V30 29 C  2.617259 6.794703 1.558589 0
M  V30 30 O  -0.347330 8.637490 2.554588 0
M  V30 31 C  0.249636 9.935823 2.552634 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 8 10
M  V30 11 2 9 11
M  V30 16 1 15 9
M  V30 17 1 10 16
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 18 1 16 17
M  V30 19 2 16 18
M  V30 20 1 17 19
M  V30 21 1 17 20
M  V30 22 2 19 21
M  V30 27 1 25 19
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 25 1 23 24
M  V30 28 1 23 26
M  V30 26 2 24 25
M  V30 32 1 29 24
M  V30 29 2 26 27
M  V30 30 1 27 28
M  V30 33 1 27 30
M  V30 31 2 28 29
M  V30 34 1 30 31
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1257-s002-mod

>  <DOI>
10.3390/M1257

$$$$

File : molbank-2021-M1256-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 29 1 0 1
M  V30 BEGIN ATOM
M  V30 1 C 0.381563 1.028386 0.000000 0
M  V30 2 C 0.381563 0.203386 0.000000 0
M  V30 3 C 1.206563 0.203386 0.000000 0
M  V30 4 C 1.206563 1.028386 0.000000 0
M  V30 5 O 1.990887 -0.051562 0.000000 0
M  V30 6 C 2.476147 0.615886 0.000000 0
M  V30 7 C 1.990887 1.283334 0.000000 0
M  V30 8 C -0.332865 1.440886 0.000000 0
M  V30 9 C -1.047292 1.028386 0.000000 0
M  V30 10 C -1.047292 0.203386 0.000000 0
M  V30 11 O -0.332865 -0.209114 0.000000 0
M  V30 12 C -1.761720 1.440886 0.000000 0
M  V30 13 C -2.476147 1.028386 0.000000 0
M  V30 14 C -2.476147 0.203386 0.000000 0
M  V30 15 C -1.761720 -0.209114 0.000000 0
M  V30 16 O -0.332865 2.265887 0.000000 0
M  V30 17 H 0.381563 1.853387 0.000000 0
M  V30 18 H 1.206563 1.853387 0.000000 0
M  V30 19 H 1.206563 -0.621615 0.000000 0
M  V30 20 C 0.381563 -0.621615 0.000000 0
M  V30 21 C -0.330573 -1.032969 0.000000 0
M  V30 22 C -0.330573 -1.855106 0.000000 0
M  V30 23 C 0.381563 -2.265887 0.000000 0
M  V30 24 C 1.093698 -1.855106 0.000000 0
M  V30 25 C 1.093698 -1.032969 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 24 25
M  V30 2 1 23 24
M  V30 3 2 22 23
M  V30 4 1 21 22
M  V30 5 2 20 21
M  V30 6 1 20 25
M  V30 7 1 2 20 CFG=3
M  V30 8 1 1 2
M  V30 9 1 2 3
M  V30 10 1 3 4
M  V30 11 1 4 1
M  V30 12 1 3 5
M  V30 13 1 5 6
M  V30 14 1 6 7
M  V30 15 1 7 4
M  V30 16 1 1 8
M  V30 17 1 8 9
M  V30 18 2 9 10
M  V30 19 1 10 11
M  V30 20 1 11 2
M  V30 21 1 9 12
M  V30 22 2 12 13
M  V30 23 1 13 14
M  V30 24 2 14 15
M  V30 25 1 15 10
M  V30 26 2 8 16
M  V30 27 1 1 17 CFG=3
M  V30 28 1 4 18 CFG=3
M  V30 29 1 3 19 CFG=3
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(6 20 21 22 23 24 25) XBONDS=(1 7) LABEL=Ph CSTATE=(4 7 -
M  V30 0.000000 0.825001 0)
M  V30 END SGROUP
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(4 1 2 3 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1256-s002

>  <DOI>
10.3390/M1256

$$$$

File : molbank-2021-M1256-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 29 1 0 1
M  V30 BEGIN ATOM
M  V30 1 C 0.381563 1.028386 0.000000 0
M  V30 2 C 0.381563 0.203386 0.000000 0
M  V30 3 C 1.206563 0.203386 0.000000 0
M  V30 4 C 1.206563 1.028386 0.000000 0
M  V30 5 O 1.990887 -0.051562 0.000000 0
M  V30 6 C 2.476147 0.615886 0.000000 0
M  V30 7 C 1.990887 1.283334 0.000000 0
M  V30 8 C -0.332865 1.440886 0.000000 0
M  V30 9 C -1.047292 1.028386 0.000000 0
M  V30 10 C -1.047292 0.203386 0.000000 0
M  V30 11 O -0.332865 -0.209114 0.000000 0
M  V30 12 C -1.761720 1.440886 0.000000 0
M  V30 13 C -2.476147 1.028386 0.000000 0
M  V30 14 C -2.476147 0.203386 0.000000 0
M  V30 15 C -1.761720 -0.209114 0.000000 0
M  V30 16 O -0.332865 2.265887 0.000000 0
M  V30 17 H 0.381563 1.853387 0.000000 0
M  V30 18 H 1.206563 1.853387 0.000000 0
M  V30 19 H 1.206563 -0.621615 0.000000 0
M  V30 20 C 0.381563 -0.621615 0.000000 0
M  V30 21 C -0.330573 -1.032969 0.000000 0
M  V30 22 C -0.330573 -1.855106 0.000000 0
M  V30 23 C 0.381563 -2.265887 0.000000 0
M  V30 24 C 1.093698 -1.855106 0.000000 0
M  V30 25 C 1.093698 -1.032969 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 24 25
M  V30 2 1 23 24
M  V30 3 2 22 23
M  V30 4 1 21 22
M  V30 5 2 20 21
M  V30 6 1 20 25
M  V30 7 1 2 20 CFG=3
M  V30 8 1 1 2
M  V30 9 1 2 3
M  V30 10 1 3 4
M  V30 11 1 4 1
M  V30 12 1 3 5
M  V30 13 1 5 6
M  V30 14 1 6 7
M  V30 15 1 7 4
M  V30 16 1 1 8
M  V30 17 1 8 9
M  V30 18 2 9 10
M  V30 19 1 10 11
M  V30 20 1 11 2
M  V30 21 1 9 12
M  V30 22 2 12 13
M  V30 23 1 13 14
M  V30 24 2 14 15
M  V30 25 1 15 10
M  V30 26 2 8 16
M  V30 27 1 1 17 CFG=3
M  V30 28 1 4 18 CFG=3
M  V30 29 1 3 19 CFG=3
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(6 20 21 22 23 24 25) XBONDS=(1 7) LABEL=Ph CSTATE=(4 7 -
M  V30 0.000000 0.825001 0)
M  V30 END SGROUP
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(4 1 2 3 4)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1256-s002-mod

>  <DOI>
10.3390/M1256

$$$$

File : molbank-2021-M1255-s002.mol

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  -12.8517    7.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0536    7.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2604    7.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6728    8.2465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4710    8.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8835    8.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.5459    6.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8314    6.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  39  40  41  42
M  SBL   1  1  42
M  SMT   1 OAc
M  SBV   1 42  -14.3501   10.6425
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  43  44  45  46
M  SBL   2  1  46
M  SMT   2 OAc
M  SBV   2 46  -15.7304    9.8456
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  47  48  49  50
M  SBL   3  1  50
M  SMT   3 OAc
M  SBV   3 50  -15.7585   10.0592
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  51  52  53  54
M  SBL   4  1  54
M  SMT   4 OAc
M  SBV   4 54  -14.9335   11.0775
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  4  74  75  76  77
M  SBL   5  1  77
M  SMT   5 OAc
M  SBV   5 77  -14.3501   10.6425
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  4  78  79  80  81
M  SBL   6  1  81
M  SMT   6 OAc
M  SBV   6 81  -15.7304    9.8456
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  4  82  83  84  85
M  SBL   7  1  85
M  SMT   7 OAc
M  SBV   7 85  -14.9335   11.0775
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  4  86  87  88  89
M  SBL   8  1  89
M  SMT   8 OAc
M  SBV   8 89  -15.7585   10.0592
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  4 123 124 125 126
M  SBL   9  1 127
M  SMT   9 AcO
M  SBV   9127  -14.9335   11.0990
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  4 127 128 129 130
M  SBL  10  1 131
M  SMT  10 OAc
M  SBV  10131  -15.5169   10.6425
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  4 131 132 133 134
M  SBL  11  1 135
M  SMT  11 OAc
M  SBV  11135  -14.1366    9.8456
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  4 135 136 137 138
M  SBL  12  1 139
M  SMT  12 OAc
M  SBV  12139  -14.1085   10.0592
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  4 139 140 141 142
M  SBL  13  1 143
M  SMT  13 OAc
M  SBV  13143  -15.7585   10.0592
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14  4 143 144 145 146
M  SBL  14  1 147
M  SMT  14 OAc
M  SBV  14147  -14.9335   11.0775
M  STY  1  15 SUP
M  SLB  1  15  15
M  SAL  15  4 147 148 149 150
M  SBL  15  1 151
M  SMT  15 OAc
M  SBV  15151  -15.7304    9.8456
M  STY  1  16 SUP
M  SLB  1  16  16
M  SAL  16  4 151 152 153 154
M  SBL  16  1 155
M  SMT  16 OAc
M  SBV  16155  -14.3501   10.6425
M  STY  1  17 GEN
M  SLB  1  17  17
M  SAL  17 15  56  55  57  58  59  62  65  78  66  82  64  67  63  86  74
M  SAL  17  2  60  61
M  SBL  17  1  68
M  SDI  17  4   -6.2041   -4.5928   -6.2041   -8.3417
M  SDI  17  4  -13.8163   -8.3417  -13.8163   -4.5928
M  SBT  1  17   1
M  END
>  <MOL_ID>
molbank-2021-M1255-s002

>  <DOI>
10.3390/M1255

$$$$

File : molbank-2021-M1255-s002-mod.mol

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149150  1  0
148149  2  0
147149  1  0
 91147  1  0
153154  1  0
152153  2  0
151153  1  0
 97151  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  39  40  41  42
M  SBL   1  1  42
M  SMT   1 OAc
M  SBV   1 42  -14.3501   10.6425
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  43  44  45  46
M  SBL   2  1  46
M  SMT   2 OAc
M  SBV   2 46  -15.7304    9.8456
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  47  48  49  50
M  SBL   3  1  50
M  SMT   3 OAc
M  SBV   3 50  -15.7585   10.0592
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  51  52  53  54
M  SBL   4  1  54
M  SMT   4 OAc
M  SBV   4 54  -14.9335   11.0775
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  4  74  75  76  77
M  SBL   5  1  77
M  SMT   5 OAc
M  SBV   5 77  -14.3501   10.6425
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  4  78  79  80  81
M  SBL   6  1  81
M  SMT   6 OAc
M  SBV   6 81  -15.7304    9.8456
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  4  82  83  84  85
M  SBL   7  1  85
M  SMT   7 OAc
M  SBV   7 85  -14.9335   11.0775
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  4  86  87  88  89
M  SBL   8  1  89
M  SMT   8 OAc
M  SBV   8 89  -15.7585   10.0592
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  4 123 124 125 126
M  SBL   9  1 127
M  SMT   9 AcO
M  SBV   9127  -14.9335   11.0990
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  4 127 128 129 130
M  SBL  10  1 131
M  SMT  10 OAc
M  SBV  10131  -15.5169   10.6425
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  4 131 132 133 134
M  SBL  11  1 135
M  SMT  11 OAc
M  SBV  11135  -14.1366    9.8456
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  4 135 136 137 138
M  SBL  12  1 139
M  SMT  12 OAc
M  SBV  12139  -14.1085   10.0592
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  4 139 140 141 142
M  SBL  13  1 143
M  SMT  13 OAc
M  SBV  13143  -15.7585   10.0592
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14  4 143 144 145 146
M  SBL  14  1 147
M  SMT  14 OAc
M  SBV  14147  -14.9335   11.0775
M  STY  1  15 SUP
M  SLB  1  15  15
M  SAL  15  4 147 148 149 150
M  SBL  15  1 151
M  SMT  15 OAc
M  SBV  15151  -15.7304    9.8456
M  STY  1  16 SUP
M  SLB  1  16  16
M  SAL  16  4 151 152 153 154
M  SBL  16  1 155
M  SMT  16 OAc
M  SBV  16155  -14.3501   10.6425
M  STY  1  17 GEN
M  SLB  1  17  17
M  SAL  17 15  56  55  57  58  59  62  65  78  66  82  64  67  63  86  74
M  SAL  17  2  60  61
M  SBL  17  1  68
M  SDI  17  4   -6.2041   -4.5928   -6.2041   -8.3417
M  SDI  17  4  -13.8163   -8.3417  -13.8163   -4.5928
M  SBT  1  17   1
M  END
>  <MOL_ID>
molbank-2021-M1255-s002-mod

>  <DOI>
10.3390/M1255

$$$$

File : molbank-2021-M1254-s002.mol

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.9471   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -0.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4686   -1.3360    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1725   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230   -0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375    0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    1.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606    0.5382    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
>  <MOL_ID>
molbank-2021-M1254-s002

>  <DOI>
10.3390/M1254

$$$$

File : molbank-2021-M1254-s002-mod.mol

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.7882    3.2777    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153    3.5235    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283    2.0248    0.0192 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0126    1.0758    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0992    1.8657    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4664    1.3383   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4111    2.1009   -0.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7351   -0.3767   -0.0254 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
M  END
>  <MOL_ID>
molbank-2021-M1254-s002-mod

>  <DOI>
10.3390/M1254

$$$$

File : molbank-2021-M1253-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 13 14 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.794170 0.313530 0.000000 0
M  V30 2 C -0.794170 -0.511470 0.000000 0
M  V30 3 N -0.079699 -0.923970 0.000000 0
M  V30 4 C 0.634772 -0.511470 0.000000 0
M  V30 5 N 0.634772 0.313530 0.000000 0
M  V30 6 C -0.079699 0.726030 0.000000 0
M  V30 7 C -1.578792 0.568469 0.000000 0
M  V30 8 N -2.063714 -0.098970 0.000000 0
M  V30 9 N -1.578792 -0.766408 0.000000 0
M  V30 10 O -0.079699 1.551030 0.000000 0
M  V30 11 C 1.349243 -0.923970 0.000000 0
M  V30 12 Cl 2.063714 -0.511470 0.000000 0
M  V30 13 C -1.833731 -1.551030 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 9 13
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 1
M  V30 8 1 1 7
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 1 9 2
M  V30 12 2 6 10
M  V30 13 1 4 11
M  V30 14 1 11 12
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 13) XBONDS=(1 1) LABEL="^Me" CSTATE=(4 1 0.254939 -
M  V30 0.784622 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1253-s003

>  <DOI>
10.3390/M1253

$$$$

File : molbank-2021-M1253-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 13 14 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.794170 0.313530 0.000000 0
M  V30 2 C -0.794170 -0.511470 0.000000 0
M  V30 3 N -0.079699 -0.923970 0.000000 0
M  V30 4 C 0.634772 -0.511470 0.000000 0
M  V30 5 N 0.634772 0.313530 0.000000 0
M  V30 6 C -0.079699 0.726030 0.000000 0
M  V30 7 C -1.578792 0.568469 0.000000 0
M  V30 8 N -2.063714 -0.098970 0.000000 0
M  V30 9 N -1.578792 -0.766408 0.000000 0
M  V30 10 O -0.079699 1.551030 0.000000 0
M  V30 11 C 1.349243 -0.923970 0.000000 0
M  V30 12 Cl 2.063714 -0.511470 0.000000 0
M  V30 13 C -1.833731 -1.551030 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 9 13
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 1
M  V30 8 1 1 7
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 1 9 2
M  V30 12 2 6 10
M  V30 13 1 4 11
M  V30 14 1 11 12
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 13) XBONDS=(1 1) LABEL="^Me" CSTATE=(4 1 0.254939 -
M  V30 0.784622 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1253-s003-mod

>  <DOI>
10.3390/M1253

$$$$

File : molbank-2021-M1253-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 13 14 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.794170 0.313530 0.000000 0
M  V30 2 C -0.794170 -0.511470 0.000000 0
M  V30 3 N -0.079699 -0.923970 0.000000 0
M  V30 4 C 0.634772 -0.511470 0.000000 0
M  V30 5 N 0.634772 0.313530 0.000000 0
M  V30 6 C -0.079699 0.726030 0.000000 0
M  V30 7 C -1.578792 0.568469 0.000000 0
M  V30 8 N -2.063714 -0.098970 0.000000 0
M  V30 9 N -1.578792 -0.766408 0.000000 0
M  V30 10 Cl -0.079699 1.551030 0.000000 0
M  V30 11 C 1.349243 -0.923970 0.000000 0
M  V30 12 Cl 2.063714 -0.511470 0.000000 0
M  V30 13 C -1.833731 -1.551030 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 9 13
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 1
M  V30 8 1 1 7
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 1 9 2
M  V30 12 1 6 10
M  V30 13 1 4 11
M  V30 14 1 11 12
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 13) XBONDS=(1 1) LABEL="^Me" CSTATE=(4 1 0.254939 -
M  V30 0.784622 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1253-s002

>  <DOI>
10.3390/M1253

$$$$

File : molbank-2021-M1253-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 13 14 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.794170 0.313530 0.000000 0
M  V30 2 C -0.794170 -0.511470 0.000000 0
M  V30 3 N -0.079699 -0.923970 0.000000 0
M  V30 4 C 0.634772 -0.511470 0.000000 0
M  V30 5 N 0.634772 0.313530 0.000000 0
M  V30 6 C -0.079699 0.726030 0.000000 0
M  V30 7 C -1.578792 0.568469 0.000000 0
M  V30 8 N -2.063714 -0.098970 0.000000 0
M  V30 9 N -1.578792 -0.766408 0.000000 0
M  V30 10 Cl -0.079699 1.551030 0.000000 0
M  V30 11 C 1.349243 -0.923970 0.000000 0
M  V30 12 Cl 2.063714 -0.511470 0.000000 0
M  V30 13 C -1.833731 -1.551030 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 9 13
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 1
M  V30 8 1 1 7
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 1 9 2
M  V30 12 1 6 10
M  V30 13 1 4 11
M  V30 14 1 11 12
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 13) XBONDS=(1 1) LABEL="^Me" CSTATE=(4 1 0.254939 -
M  V30 0.784622 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1253-s002-mod

>  <DOI>
10.3390/M1253

$$$$

File : molbank-2021-M1252-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.714471 -1.026238 0.000000 0
M  V30 2 C -0.714471 -1.851238 0.000000 0
M  V30 3 C 0.000000 -2.263738 0.000000 0
M  V30 4 C 0.714471 -1.851238 0.000000 0
M  V30 5 C 0.714471 -1.026238 0.000000 0
M  V30 6 C 0.000000 -0.613738 0.000000 0
M  V30 7 O -1.426462 -0.615170 0.000000 0
M  V30 8 C -2.138452 -1.026238 0.000000 0
M  V30 9 O 1.426462 -0.615170 0.000000 0
M  V30 10 C 2.138452 -1.026237 0.000000 0
M  V30 11 C 0.000000 -3.085873 0.000000 0
M  V30 12 O 0.711991 -3.496941 0.000000 0
M  V30 13 O 0.000000 0.208398 0.000000 0
M  V30 14 C 0.711991 0.619466 0.000000 0
M  V30 15 C 0.711991 1.441602 0.000000 0
M  V30 16 C 0.711991 2.263737 0.000000 0
M  V30 17 C 0.711991 3.085873 0.000000 0
M  V30 18 Cl 1.423981 3.496941 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 8 1 7 8
M  V30 9 1 5 9
M  V30 10 1 9 10
M  V30 11 1 3 11
M  V30 12 2 11 12
M  V30 13 1 6 13
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 3 15 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1252-s002

>  <DOI>
10.3390/M1252

$$$$

File : molbank-2021-M1252-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  1.208387 -0.676548 -0.013112 0
M  V30 2 C  0.002075 -0.004068 0.002017 0
M  V30 3 C  -0.016911 1.395880 0.009717 0
M  V30 4 C  1.187992 2.108916 0.002041 0
M  V30 5 C  2.390398 1.429488 -0.013550 0
M  V30 6 C  2.405300 0.036403 -0.020712 0
M  V30 7 O  1.227819 -2.036405 -0.021052 0
M  V30 8 C  -0.035974 -2.703341 -0.013027 0
M  V30 9 O  3.561319 2.121254 -0.021014 0
M  V30 10 C  3.472309 3.547457 -0.012992 0
M  V30 11 C  -1.297597 2.114668 0.019703 0
M  V30 12 O  -2.340613 1.495459 0.021288 0
M  V30 13 O  3.589805 -0.628403 -0.035592 0
M  V30 14 C  4.143354 -0.939068 -1.315870 0
M  V30 15 C  5.417696 -1.654297 -1.138999 0
M  V30 16 C  6.434053 -2.224731 -0.997935 0
M  V30 17 C  7.708395 -2.939960 -0.821064 0
M  V30 18 Cl 8.406819 -3.331933 -2.436419 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 11 1 3 11
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 9 1 5 9
M  V30 13 1 6 13
M  V30 8 1 7 8
M  V30 10 1 9 10
M  V30 12 2 11 12
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 3 15 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1252-s002-mod

>  <DOI>
10.3390/M1252

$$$$

File : molbank-2021-M1251-s002.mol

454460  0  0  0  0  0  0  0  0999 V2000
   -6.0995   13.9035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1784   13.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4905   13.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1784   12.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5631   12.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2511   13.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5631   13.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2393   13.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5826   13.8736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5514   12.8127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4311   13.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3573   13.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9442   13.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1204   13.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7073   12.4811    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4200   12.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8466   12.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1339   12.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2942   11.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0569   11.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4704   11.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9946   12.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676   12.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2803   12.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1931   10.4712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2721   10.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5841    9.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2721    9.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6567    9.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7272   -9.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5509   -9.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2514  -10.7724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3910  -10.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0249  -11.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7128  -12.2743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249  -12.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402  -12.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9522  -12.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402  -11.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722  -12.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460  -11.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2591  -12.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0829  -12.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4960  -13.1364    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.7833  -13.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3567  -13.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0694  -13.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9091  -13.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1464  -14.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7329  -13.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2087  -12.7232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6357  -12.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9230  -13.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2 418   1 420  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1 13  12  13  14  15  16  17  18  19  20  21  22  23  24
M  SBL   1  1  24
M  SMT   1 (CH2)3Si(OEt)3
M  SBV   1 24  -11.5550   15.8094
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2 13  35  36  37  38  39  40  41  42  43  44  45  46  47
M  SBL   2  1  47
M  SMT   2 (CH2)3Si(OEt)3
M  SBV   2 47  -11.5550   15.8094
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  48  49
M  SBL   3  1  49
M  SMT   3 OMe
M  SBV   3 49  -12.6092   15.2777
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  60  61
M  SBL   4  1  61
M  SMT   4 NHMe
M  SBV   4 61  -12.6092   15.2777
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5 13  62  63  64  65  66  67  68  69  70  71  72  73  74
M  SBL   5  1  74
M  SMT   5 (CH2)3Si(OEt)3
M  SBV   5 74  -11.5550   15.8094
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6 13  85  86  87  88  89  90  91  92  93  94  95  96  97
M  SBL   6  1  97
M  SMT   6 (CH2)3Si(OEt)3
M  SBV   6 97  -11.5550   15.8094
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  1  98
M  SBL   7  1  98
M  SMT   7 Me
M  SBV   7 98  -12.6092   15.2777
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8 13 108 109 110 111 112 113 114 115 116 117 118 119 120
M  SBL   8  1 120
M  SMT   8 (CH2)3Si(OEt)3
M  SBV   8120  -11.5550   15.8094
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  2 121 122
M  SBL   9  1 122
M  SMT   9 CN
M  SBV   9122  -12.9837   15.8081
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10 13 132 133 134 135 136 137 138 139 140 141 142 143 144
M  SBL  10  1 144
M  SMT  10 (CH2)3Si(OEt)3
M  SBV  10144  -11.5550   15.8094
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  4 145 146 147 148
M  SBL  11  1 148
M  SMT  11 CO2Me
M  SBV  11148  -12.9837   15.8081
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  1 157
M  SBL  12  1 157
M  SMT  12 Me
M  SBV  12157  -12.5780   16.3386
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  4 158 159 160 161
M  SBL  13  1 161
M  SMT  13 CO2Me
M  SBV  13161  -12.9837   15.8081
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14 13 162 163 164 165 166 167 168 169 170 171 172 173 174
M  SBL  14  1 174
M  SMT  14 (CH2)3Si(OEt)3
M  SBV  14174  -11.5550   15.8094
M  STY  1  15 SUP
M  SLB  1  15  15
M  SAL  15 13 183 184 185 186 187 188 189 190 191 192 193 194 195
M  SBL  15  1 195
M  SMT  15 (CH2)3Si(OEt)3
M  SBV  15195  -11.5550   15.8094
M  STY  1  16 SUP
M  SLB  1  16  16
M  SAL  16 13 210 211 212 213 214 215 216 217 218 219 220 221 222
M  SBL  16  1 223
M  SMT  16 (CH2)3Si(OEt)3
M  SBV  16223  -11.5550   15.8094
M  STY  1  17 SUP
M  SLB  1  17  17
M  SAL  17 13 238 239 240 241 242 243 244 245 246 247 248 249 250
M  SBL  17  1 253
M  SMT  17 (CH2)3Si(OEt)3
M  SBV  17253  -11.5550   15.8094
M  STY  1  18 SUP
M  SLB  1  18  18
M  SAL  18 13 264 265 266 267 268 269 270 271 272 273 274 275 276
M  SBL  18  1 280
M  SMT  18 (CH2)3Si(OEt)3
M  SBV  18280  -11.5550   15.8094
M  STY  1  19 SUP
M  SLB  1  19  19
M  SAL  19 13 290 291 292 293 294 295 296 297 298 299 300 301 302
M  SBL  19  1 307
M  SMT  19 (CH2)3Si(OEt)3
M  SBV  19307  -11.5550   15.8094
M  STY  1  20 SUP
M  SLB  1  20  20
M  SAL  20 13 315 316 317 318 319 320 321 322 323 324 325 326 327
M  SBL  20  1 333
M  SMT  20 (CH2)3Si(OEt)3
M  SBV  20333  -11.5550   15.8094
M  STY  1  21 SUP
M  SLB  1  21  21
M  SAL  21 14 336 337 338 339 340 341 342 343 344 345 346 347 348 349
M  SBL  21  1 355
M  SMT  21 N(CH2)3Si(OEt)3
M  SBV  21355  -11.9656   16.3685
M  STY  1  22 SUP
M  SLB  1  22  22
M  SAL  22 14 350 351 352 353 354 355 356 357 358 359 360 361 362 363
M  SBL  22  1 369
M  SMT  22 N(H2C)3Si(OEt)3
M  SBV  22369  -12.6404   16.3386
M  STY  1  23 SUP
M  SLB  1  23  23
M  SAL  23 13 372 373 374 375 376 377 378 379 380 381 382 383 384
M  SBL  23  1 390
M  SMT  23 (CH2)3Si(OEt)3
M  SBV  23390  -11.5550   15.8094
M  STY  1  24 SUP
M  SLB  1  24  24
M  SAL  24  2 385 386
M  SBL  24  1 392
M  SMT  24 CN
M  SBV  24392  -12.5780   16.3386
M  STY  1  25 SUP
M  SLB  1  25  25
M  SAL  25  2 395 396
M  SBL  25  1 402
M  SMT  25 CN
M  SBV  25402  -12.0264   16.2774
M  STY  1  26 SUP
M  SLB  1  26  26
M  SAL  26 13 397 398 399 400 401 402 403 404 405 406 407 408 409
M  SBL  26  1 415
M  SMT  26 (CH2)3Si(OEt)3
M  SBV  26415  -11.5550   15.8094
M  STY  1  27 SUP
M  SLB  1  27  27
M  SAL  27  3 418 419 420
M  SBL  27  1 426
M  SMT  27 NO2
M  SBV  27426  -12.9837   15.8081
M  STY  1  28 SUP
M  SLB  1  28  28
M  SAL  28 13 421 422 423 424 425 426 427 428 429 430 431 432 433
M  SBL  28  1 439
M  SMT  28 (CH2)3Si(OEt)3
M  SBV  28439  -11.5550   15.8094
M  STY  1  29 SUP
M  SLB  1  29  29
M  SAL  29 13 442 443 444 445 446 447 448 449 450 451 452 453 454
M  SBL  29  1 460
M  SMT  29 (CH2)3Si(OEt)3
M  SBV  29460  -11.5550   15.8094
M  END
>  <MOL_ID>
molbank-2021-M1251-s002

>  <DOI>
10.3390/M1251

$$$$

File : molbank-2021-M1251-s002-mod.mol

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  225.9515  263.6079  189.8647 Si  0  0  0  0  0  0  0  0  0  0  0  0
  227.1786  264.6739  189.9987 O   0  0  0  0  0  0  0  0  0  0  0  0
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  240.3681  282.1439  201.5229 O   0  0  0  0  0  0  0  0  0  0  0  0
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  261.4371  296.6662  207.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
  262.5591  295.9736  207.7489 N   0  0  0  0  0  0  0  0  0  0  0  0
  262.5677  294.6551  207.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
  261.3879  293.9381  207.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
  260.1727  294.6320  207.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
  260.2115  296.0307  207.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
  258.8842  293.9076  207.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
  256.4958  293.8484  207.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
  255.7586  294.1227  209.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
  254.4249  293.3729  209.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
  253.5272  293.7069  210.6838 Si  0  0  0  0  0  0  0  0  0  0  0  0
  252.1055  292.9077  210.6861 O   0  0  0  0  0  0  0  0  0  0  0  0
  250.0290  292.3059  211.7661 C   0  0  0  0  0  0  0  0  0  0  0  0
  251.3340  293.0972  211.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
  254.4392  293.1976  211.9364 O   0  0  0  0  0  0  0  0  0  0  0  0
  255.5956  291.4372  213.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  254.7405  291.8011  211.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
  253.2511  295.3079  210.8279 O   0  0  0  0  0  0  0  0  0  0  0  0
  252.2628  297.3568  210.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
  252.4566  295.8578  209.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2 418   1 420  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1 13  12  13  14  15  16  17  18  19  20  21  22  23  24
M  SBL   1  1  24
M  SMT   1 (CH2)3Si(OEt)3
M  SBV   1 24  -11.5550   15.8094
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2 13  35  36  37  38  39  40  41  42  43  44  45  46  47
M  SBL   2  1  47
M  SMT   2 (CH2)3Si(OEt)3
M  SBV   2 47  -11.5550   15.8094
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  48  49
M  SBL   3  1  49
M  SMT   3 OMe
M  SBV   3 49  -12.6092   15.2777
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  60  61
M  SBL   4  1  61
M  SMT   4 NHMe
M  SBV   4 61  -12.6092   15.2777
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5 13  62  63  64  65  66  67  68  69  70  71  72  73  74
M  SBL   5  1  74
M  SMT   5 (CH2)3Si(OEt)3
M  SBV   5 74  -11.5550   15.8094
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6 13  85  86  87  88  89  90  91  92  93  94  95  96  97
M  SBL   6  1  97
M  SMT   6 (CH2)3Si(OEt)3
M  SBV   6 97  -11.5550   15.8094
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  1  98
M  SBL   7  1  98
M  SMT   7 Me
M  SBV   7 98  -12.6092   15.2777
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8 13 108 109 110 111 112 113 114 115 116 117 118 119 120
M  SBL   8  1 120
M  SMT   8 (CH2)3Si(OEt)3
M  SBV   8120  -11.5550   15.8094
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  2 121 122
M  SBL   9  1 122
M  SMT   9 CN
M  SBV   9122  -12.9837   15.8081
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10 13 132 133 134 135 136 137 138 139 140 141 142 143 144
M  SBL  10  1 144
M  SMT  10 (CH2)3Si(OEt)3
M  SBV  10144  -11.5550   15.8094
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  4 145 146 147 148
M  SBL  11  1 148
M  SMT  11 CO2Me
M  SBV  11148  -12.9837   15.8081
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  1 157
M  SBL  12  1 157
M  SMT  12 Me
M  SBV  12157  -12.5780   16.3386
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  4 158 159 160 161
M  SBL  13  1 161
M  SMT  13 CO2Me
M  SBV  13161  -12.9837   15.8081
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14 13 162 163 164 165 166 167 168 169 170 171 172 173 174
M  SBL  14  1 174
M  SMT  14 (CH2)3Si(OEt)3
M  SBV  14174  -11.5550   15.8094
M  STY  1  15 SUP
M  SLB  1  15  15
M  SAL  15 13 183 184 185 186 187 188 189 190 191 192 193 194 195
M  SBL  15  1 195
M  SMT  15 (CH2)3Si(OEt)3
M  SBV  15195  -11.5550   15.8094
M  STY  1  16 SUP
M  SLB  1  16  16
M  SAL  16 13 210 211 212 213 214 215 216 217 218 219 220 221 222
M  SBL  16  1 223
M  SMT  16 (CH2)3Si(OEt)3
M  SBV  16223  -11.5550   15.8094
M  STY  1  17 SUP
M  SLB  1  17  17
M  SAL  17 13 238 239 240 241 242 243 244 245 246 247 248 249 250
M  SBL  17  1 253
M  SMT  17 (CH2)3Si(OEt)3
M  SBV  17253  -11.5550   15.8094
M  STY  1  18 SUP
M  SLB  1  18  18
M  SAL  18 13 264 265 266 267 268 269 270 271 272 273 274 275 276
M  SBL  18  1 280
M  SMT  18 (CH2)3Si(OEt)3
M  SBV  18280  -11.5550   15.8094
M  STY  1  19 SUP
M  SLB  1  19  19
M  SAL  19 13 290 291 292 293 294 295 296 297 298 299 300 301 302
M  SBL  19  1 307
M  SMT  19 (CH2)3Si(OEt)3
M  SBV  19307  -11.5550   15.8094
M  STY  1  20 SUP
M  SLB  1  20  20
M  SAL  20 13 315 316 317 318 319 320 321 322 323 324 325 326 327
M  SBL  20  1 333
M  SMT  20 (CH2)3Si(OEt)3
M  SBV  20333  -11.5550   15.8094
M  STY  1  21 SUP
M  SLB  1  21  21
M  SAL  21 14 336 337 338 339 340 341 342 343 344 345 346 347 348 349
M  SBL  21  1 355
M  SMT  21 N(CH2)3Si(OEt)3
M  SBV  21355  -11.9656   16.3685
M  STY  1  22 SUP
M  SLB  1  22  22
M  SAL  22 14 350 351 352 353 354 355 356 357 358 359 360 361 362 363
M  SBL  22  1 369
M  SMT  22 N(H2C)3Si(OEt)3
M  SBV  22369  -12.6404   16.3386
M  STY  1  23 SUP
M  SLB  1  23  23
M  SAL  23 13 372 373 374 375 376 377 378 379 380 381 382 383 384
M  SBL  23  1 390
M  SMT  23 (CH2)3Si(OEt)3
M  SBV  23390  -11.5550   15.8094
M  STY  1  24 SUP
M  SLB  1  24  24
M  SAL  24  2 385 386
M  SBL  24  1 392
M  SMT  24 CN
M  SBV  24392  -12.5780   16.3386
M  STY  1  25 SUP
M  SLB  1  25  25
M  SAL  25  2 395 396
M  SBL  25  1 402
M  SMT  25 CN
M  SBV  25402  -12.0264   16.2774
M  STY  1  26 SUP
M  SLB  1  26  26
M  SAL  26 13 397 398 399 400 401 402 403 404 405 406 407 408 409
M  SBL  26  1 415
M  SMT  26 (CH2)3Si(OEt)3
M  SBV  26415  -11.5550   15.8094
M  STY  1  27 SUP
M  SLB  1  27  27
M  SAL  27  3 418 419 420
M  SBL  27  1 426
M  SMT  27 NO2
M  SBV  27426  -12.9837   15.8081
M  STY  1  28 SUP
M  SLB  1  28  28
M  SAL  28 13 421 422 423 424 425 426 427 428 429 430 431 432 433
M  SBL  28  1 439
M  SMT  28 (CH2)3Si(OEt)3
M  SBV  28439  -11.5550   15.8094
M  STY  1  29 SUP
M  SLB  1  29  29
M  SAL  29 13 442 443 444 445 446 447 448 449 450 451 452 453 454
M  SBL  29  1 460
M  SMT  29 (CH2)3Si(OEt)3
M  SBV  29460  -11.5550   15.8094
M  END
>  <MOL_ID>
molbank-2021-M1251-s002-mod

>  <DOI>
10.3390/M1251

$$$$

File : molbank-2021-M1250-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.381858 -0.837179 0.000000 0
M  V30 2 N 1.381858 -1.662179 0.000000 0
M  V30 3 C 2.096329 -2.074679 0.000000 0
M  V30 4 C 2.810800 -1.662179 0.000000 0
M  V30 5 C 2.810800 -0.837179 0.000000 0
M  V30 6 C 2.096329 -0.424679 0.000000 0
M  V30 7 C 0.667387 -0.424679 0.000000 0
M  V30 8 N -0.047083 -0.837179 0.000000 0
M  V30 9 C -0.761555 -0.424679 0.000000 0
M  V30 10 C -0.847790 0.395802 0.000000 0
M  V30 11 C -1.654762 0.567329 0.000000 0
M  V30 12 N -2.067262 -0.147142 0.000000 0
M  V30 13 N -1.515230 -0.760237 0.000000 0
M  V30 14 C -1.686757 -1.567208 0.000000 0
M  V30 15 C -1.990320 1.321004 0.000000 0
M  V30 16 C -2.810800 1.407240 0.000000 0
M  V30 17 C -1.505397 1.988443 0.000000 0
M  V30 18 C -2.325877 2.074679 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 10 11
M  V30 12 2 11 12
M  V30 13 1 12 13
M  V30 14 1 13 9
M  V30 15 1 13 14
M  V30 16 1 11 15
M  V30 17 1 15 16
M  V30 18 1 15 17
M  V30 19 1 15 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1250-s002

>  <DOI>
10.3390/M1250

$$$$

File : molbank-2021-M1250-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  0.036247 3.800174 0.022664 0
M  V30 2 N  1.170379 3.106199 0.008044 0
M  V30 3 C  1.173278 1.790224 0.000470 0
M  V30 4 C  -0.012570 1.075817 0.007956 0
M  V30 5 C  -1.220322 1.759356 0.017367 0
M  V30 6 C  -1.196663 3.142960 0.029999 0
M  V30 7 C  0.080029 5.272516 0.030696 0
M  V30 8 N  1.227969 5.890611 0.023470 0
M  V30 9 C  1.268415 7.250780 0.030890 0
M  V30 10 C  0.182316 8.104925 0.046455 0
M  V30 11 C  0.671495 9.409758 0.049142 0
M  V30 12 N  1.979985 9.368638 0.036059 0
M  V30 13 N  2.390003 8.029658 0.030320 0
M  V30 14 C  3.774346 7.550336 0.022093 0
M  V30 15 C  -0.167293 10.661655 0.064562 0
M  V30 16 C  -0.747626 10.869500 1.464888 0
M  V30 17 C  0.702668 11.863084 -0.310453 0
M  V30 18 C  -1.308510 10.523385 -0.945093 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 14 1 13 9
M  V30 11 1 10 11
M  V30 12 2 11 12
M  V30 16 1 11 15
M  V30 13 1 12 13
M  V30 15 1 13 14
M  V30 17 1 15 16
M  V30 18 1 15 17
M  V30 19 1 15 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1250-s002-mod

>  <DOI>
10.3390/M1250

$$$$

File : molbank-2021-M1246-s002.mol

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  2  3  1  0
  3  4  2  0
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 33 34  1  0
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 37 32  1  0
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M  END
>  <MOL_ID>
molbank-2021-M1246-s002

>  <DOI>
10.3390/M1246

$$$$

File : molbank-2021-M1246-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1246-s002-mod

>  <DOI>
10.3390/M1246

$$$$

File : molbank-2021-M1249-s003.mol

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    9.2850   -1.0491   14.3911 H      0
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  1  2  1
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M  END
>  <MOL_ID>
molbank-2021-M1249-s003

>  <DOI>
10.3390/M1249

$$$$

File : molbank-2021-M1249-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1249-s002-mod

>  <DOI>
10.3390/M1249

$$$$

File : molbank-2021-M1247-s006.mol

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>  <MOL_ID>
molbank-2021-M1247-s006

>  <DOI>
10.3390/M1247

$$$$

File : molbank-2021-M1247-s006-mod.mol

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>  <MOL_ID>
molbank-2021-M1247-s006-mod

>  <DOI>
10.3390/M1247

$$$$

File : molbank-2021-M1247-s005.mol

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>  <MOL_ID>
molbank-2021-M1247-s005

>  <DOI>
10.3390/M1247

$$$$

File : molbank-2021-M1247-s005-mod.mol

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>  <MOL_ID>
molbank-2021-M1247-s005-mod

>  <DOI>
10.3390/M1247

$$$$

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>  <MOL_ID>
molbank-2021-M1247-s004

>  <DOI>
10.3390/M1247

$$$$

File : molbank-2021-M1247-s004-mod.mol

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>  <MOL_ID>
molbank-2021-M1247-s004-mod

>  <DOI>
10.3390/M1247

$$$$

File : molbank-2021-M1247-s003.mol

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>  <MOL_ID>
molbank-2021-M1247-s003

>  <DOI>
10.3390/M1247

$$$$

File : molbank-2021-M1247-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1247-s003-mod

>  <DOI>
10.3390/M1247

$$$$

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>  <MOL_ID>
molbank-2021-M1247-s002

>  <DOI>
10.3390/M1247

$$$$

File : molbank-2021-M1247-s002-mod.mol

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molbank-2021-M1247-s002-mod

>  <DOI>
10.3390/M1247

$$$$

File : molbank-2021-M1248-s003.mol

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>  <MOL_ID>
molbank-2021-M1248-s003

>  <DOI>
10.3390/M1248

$$$$

File : molbank-2021-M1248-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1248-s003-mod

>  <DOI>
10.3390/M1248

$$$$

File : molbank-2021-M1248-s002.mol

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>  <MOL_ID>
molbank-2021-M1248-s002

>  <DOI>
10.3390/M1248

$$$$

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>  <MOL_ID>
molbank-2021-M1248-s002-mod

>  <DOI>
10.3390/M1248

$$$$

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>  <MOL_ID>
molbank-2021-M1245-s002

>  <DOI>
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$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M1245

$$$$

File : molbank-2021-M1244-s002.mol

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>  <MOL_ID>
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>  <DOI>
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>  <MOL_ID>
molbank-2021-M1244-s002-mod

>  <DOI>
10.3390/M1244

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M  END
>  <MOL_ID>
molbank-2021-M1243-s012

>  <DOI>
10.3390/M1243

$$$$

File : molbank-2021-M1243-s012-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1243-s012-mod

>  <DOI>
10.3390/M1243

$$$$

File : molbank-2021-M1243-s011.mol

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>  <MOL_ID>
molbank-2021-M1243-s011

>  <DOI>
10.3390/M1243

$$$$

File : molbank-2021-M1243-s011-mod.mol

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>  <MOL_ID>
molbank-2021-M1241-s002

>  <DOI>
10.3390/M1241

$$$$

File : molbank-2021-M1241-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1241-s002-mod

>  <DOI>
10.3390/M1241

$$$$

File : molbank-2021-M1240-s003.mol

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>  <MOL_ID>
molbank-2021-M1240-s003

>  <DOI>
10.3390/M1240

$$$$

File : molbank-2021-M1240-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1240-s003-mod

>  <DOI>
10.3390/M1240

$$$$

File : molbank-2021-M1240-s002.mol

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M  V30 18 C -2.199648 0.158731 0.000000 0
M  V30 19 C 2.082787 0.484905 0.000000 0
M  V30 20 C 1.373629 2.133712 0.000000 0
M  V30 21 C 2.198563 2.123241 0.000000 0
M  V30 22 C 2.620099 2.832418 0.000000 0
M  V30 23 C 2.216701 3.552067 0.000000 0
M  V30 24 C 1.391767 3.562539 0.000000 0
M  V30 25 C 0.970232 2.853362 0.000000 0
M  V30 26 C 2.327746 -0.302890 0.000000 0
M  V30 27 C 3.132476 -0.484646 0.000000 0
M  V30 28 C 3.692246 0.121392 0.000000 0
M  V30 29 C 3.447287 0.909187 0.000000 0
M  V30 30 C 2.642558 1.090943 0.000000 0
M  V30 31 C -2.908826 0.580267 0.000000 0
M  V30 32 C -3.628475 0.176869 0.000000 0
M  V30 33 C -3.638947 -0.648065 0.000000 0
M  V30 34 C -2.929769 -1.069600 0.000000 0
M  V30 35 C -2.210120 -0.666203 0.000000 0
M  V30 36 H 1.861420 1.250025 0.000000 0
M  V30 37 H 1.372475 -0.290045 0.000000 0
M  V30 38 O -4.358596 -1.051462 0.000000 0
M  V30 39 C -4.369031 -1.873532 0.000000 0
M  V30 40 O -4.337653 0.598405 0.000000 0
M  V30 41 C -5.054803 0.196407 0.000000 0
M  V30 42 O 4.007057 1.515225 0.000000 0
M  V30 43 C 3.762949 2.300284 0.000000 0
M  V30 44 O 4.496976 -0.060364 0.000000 0
M  V30 45 C 5.054803 0.543570 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 38 39
M  V30 2 1 33 38
M  V30 3 1 40 41
M  V30 4 1 32 40
M  V30 5 1 42 43
M  V30 6 1 29 42
M  V30 7 1 44 45
M  V30 8 1 28 44
M  V30 9 2 1 2
M  V30 10 1 2 3
M  V30 11 2 3 4
M  V30 12 1 4 5
M  V30 13 2 5 6
M  V30 14 1 6 1
M  V30 15 1 5 7
M  V30 16 1 7 8
M  V30 17 1 8 9
M  V30 18 1 10 11
M  V30 19 1 11 12
M  V30 20 1 12 13
M  V30 21 1 13 8
M  V30 22 1 10 14
M  V30 23 1 14 15
M  V30 24 1 15 16
M  V30 25 2 16 11
M  V30 26 2 12 17
M  V30 27 1 17 18
M  V30 28 1 15 20
M  V30 29 2 20 21
M  V30 30 1 21 22
M  V30 31 2 22 23
M  V30 32 1 23 24
M  V30 33 2 24 25
M  V30 34 1 25 20
M  V30 35 2 19 26
M  V30 36 1 26 27
M  V30 37 2 27 28
M  V30 38 1 28 29
M  V30 39 2 29 30
M  V30 40 1 30 19
M  V30 41 2 18 31
M  V30 42 1 31 32
M  V30 43 2 32 33
M  V30 44 1 33 34
M  V30 45 2 34 35
M  V30 46 1 35 18
M  V30 47 1 10 9 CFG=1
M  V30 48 1 14 19 CFG=3
M  V30 49 1 14 36 CFG=1
M  V30 50 1 10 37 CFG=3
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 38 39) XBONDS=(1 2) LABEL="^OCH3" CSTATE=(4 2 -
M  V30 0.719649 0.403398 0)
M  V30 2 SUP 2 ATOMS=(2 40 41) XBONDS=(1 4) LABEL="^OCH3" CSTATE=(4 4 -
M  V30 0.709178 -0.421536 0)
M  V30 3 SUP 3 ATOMS=(2 42 43) XBONDS=(1 6) LABEL=OCH3 CSTATE=(4 6 -0.559771 -
M  V30 -0.606038 0)
M  V30 4 SUP 4 ATOMS=(2 44 45) XBONDS=(1 8) LABEL=OCH3 CSTATE=(4 8 -0.804730 -
M  V30 0.181756 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1240-s002

>  <DOI>
10.3390/M1240

$$$$

File : molbank-2021-M1240-s002-mod.mol

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M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 3 C -1.532358 -3.562539 0.000000 0
M  V30 4 C -0.812709 -3.159141 0.000000 0
M  V30 5 C -0.802237 -2.334208 0.000000 0
M  V30 6 C -1.511414 -1.912672 0.000000 0
M  V30 7 C -0.082588 -1.930810 0.000000 0
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M  V30 12 C -0.770821 0.140593 0.000000 0
M  V30 13 C -0.781293 -0.684340 0.000000 0
M  V30 14 C 1.278057 0.666662 0.000000 0
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M  V30 17 C -1.479999 0.562129 0.000000 0
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M  V30 19 C 2.082787 0.484905 0.000000 0
M  V30 20 C 1.373629 2.133712 0.000000 0
M  V30 21 C 2.198563 2.123241 0.000000 0
M  V30 22 C 2.620099 2.832418 0.000000 0
M  V30 23 C 2.216701 3.552067 0.000000 0
M  V30 24 C 1.391767 3.562539 0.000000 0
M  V30 25 C 0.970232 2.853362 0.000000 0
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M  V30 27 C 3.132476 -0.484646 0.000000 0
M  V30 28 C 3.692246 0.121392 0.000000 0
M  V30 29 C 3.447287 0.909187 0.000000 0
M  V30 30 C 2.642558 1.090943 0.000000 0
M  V30 31 C -2.908826 0.580267 0.000000 0
M  V30 32 C -3.628475 0.176869 0.000000 0
M  V30 33 C -3.638947 -0.648065 0.000000 0
M  V30 34 C -2.929769 -1.069600 0.000000 0
M  V30 35 C -2.210120 -0.666203 0.000000 0
M  V30 36 H 1.861420 1.250025 0.000000 0
M  V30 37 H 1.372475 -0.290045 0.000000 0
M  V30 38 O -4.358596 -1.051462 0.000000 0
M  V30 39 C -4.369031 -1.873532 0.000000 0
M  V30 40 O -4.337653 0.598405 0.000000 0
M  V30 41 C -5.054803 0.196407 0.000000 0
M  V30 42 O 4.007057 1.515225 0.000000 0
M  V30 43 C 3.762949 2.300284 0.000000 0
M  V30 44 O 4.496976 -0.060364 0.000000 0
M  V30 45 C 5.054803 0.543570 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 38 39
M  V30 2 1 33 38
M  V30 3 1 40 41
M  V30 4 1 32 40
M  V30 5 1 42 43
M  V30 6 1 29 42
M  V30 7 1 44 45
M  V30 8 1 28 44
M  V30 9 2 1 2
M  V30 10 1 2 3
M  V30 11 2 3 4
M  V30 12 1 4 5
M  V30 13 2 5 6
M  V30 14 1 6 1
M  V30 15 1 5 7
M  V30 16 1 7 8
M  V30 17 1 8 9
M  V30 18 1 10 11
M  V30 19 1 11 12
M  V30 20 1 12 13
M  V30 21 1 13 8
M  V30 22 1 10 14
M  V30 23 1 14 15
M  V30 24 1 15 16
M  V30 25 2 16 11
M  V30 26 2 12 17
M  V30 27 1 17 18
M  V30 28 1 15 20
M  V30 29 2 20 21
M  V30 30 1 21 22
M  V30 31 2 22 23
M  V30 32 1 23 24
M  V30 33 2 24 25
M  V30 34 1 25 20
M  V30 35 2 19 26
M  V30 36 1 26 27
M  V30 37 2 27 28
M  V30 38 1 28 29
M  V30 39 2 29 30
M  V30 40 1 30 19
M  V30 41 2 18 31
M  V30 42 1 31 32
M  V30 43 2 32 33
M  V30 44 1 33 34
M  V30 45 2 34 35
M  V30 46 1 35 18
M  V30 47 1 10 9 CFG=1
M  V30 48 1 14 19 CFG=3
M  V30 49 1 14 36 CFG=1
M  V30 50 1 10 37 CFG=3
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 38 39) XBONDS=(1 2) LABEL="^OCH3" CSTATE=(4 2 -
M  V30 0.719649 0.403398 0)
M  V30 2 SUP 2 ATOMS=(2 40 41) XBONDS=(1 4) LABEL="^OCH3" CSTATE=(4 4 -
M  V30 0.709178 -0.421536 0)
M  V30 3 SUP 3 ATOMS=(2 42 43) XBONDS=(1 6) LABEL=OCH3 CSTATE=(4 6 -0.559771 -
M  V30 -0.606038 0)
M  V30 4 SUP 4 ATOMS=(2 44 45) XBONDS=(1 8) LABEL=OCH3 CSTATE=(4 8 -0.804730 -
M  V30 0.181756 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1240-s002-mod

>  <DOI>
10.3390/M1240

$$$$

File : molbank-2021-M1239-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1239-s002

>  <DOI>
10.3390/M1239

$$$$

File : molbank-2021-M1239-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1239-s002-mod

>  <DOI>
10.3390/M1239

$$$$

File : molbank-2021-M1238-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1238-s002

>  <DOI>
10.3390/M1238

$$$$

File : molbank-2021-M1238-s002-mod.mol

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>  <DOI>
10.3390/M1238

$$$$

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molbank-2021-M1237-s002

>  <DOI>
10.3390/M1237

$$$$

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molbank-2021-M1237-s002-mod

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10.3390/M1237

$$$$

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>  <MOL_ID>
molbank-2021-M1236-s005

>  <DOI>
10.3390/M1236

$$$$

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>  <MOL_ID>
molbank-2021-M1236-s005-mod

>  <DOI>
10.3390/M1236

$$$$

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>  <MOL_ID>
molbank-2021-M1236-s004

>  <DOI>
10.3390/M1236

$$$$

File : molbank-2021-M1236-s004-mod.mol

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>  <MOL_ID>
molbank-2021-M1236-s004-mod

>  <DOI>
10.3390/M1236

$$$$

File : molbank-2021-M1236-s003.mol

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>  <MOL_ID>
molbank-2021-M1236-s003

>  <DOI>
10.3390/M1236

$$$$

File : molbank-2021-M1236-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1236-s003-mod

>  <DOI>
10.3390/M1236

$$$$

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    1.5871   -0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3617   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6472   -1.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0761   -1.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7817   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3691    0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431    0.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3691    1.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8 23  1  0
 10 24  1  0
 23 24  1  0
 24 25  2  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  2  0
 17 11  1  0
  7 18  1  0
 18 19  1  0
 18 20  2  0
 19 21  1  0
 21 22  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  23  24  25
M  SBL   1  2   1   2
M  SMT   1 CH2CO
M  SBV   1   1   -0.6184    0.3570
M  SBV   1   2    0.8879   -0.9443
M  END
>  <MOL_ID>
molbank-2021-M1236-s002

>  <DOI>
10.3390/M1236

$$$$

File : molbank-2021-M1236-s002-mod.mol

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0021   -0.0041    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0166    1.3782    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1554    2.0990    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4037    1.4546   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3977    0.0610   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186   -0.6619   -0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6476    2.0858   -0.0211 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8203    1.2112   -0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0908   -0.4659   -0.0394 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8209    0.5354    2.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8831   -0.2623    3.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000   -1.1042    3.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9171   -1.0811    4.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7351   -0.2285    5.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6327    0.6070    5.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7098    0.6010    4.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -0.2805    2.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628    3.4286   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9788    3.9996    0.0786 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7695    4.1241   -0.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    5.4508    0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4817    5.9123    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6767    1.4263    1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8780    0.5180    1.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342   -0.2290    0.2154 O   0  0  0  0  0  0  0  0  0  0  0  0
  8 23  1  0
 10 24  1  0
 23 24  1  0
 24 25  2  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  2  0
 17 11  1  0
  7 18  1  0
 18 19  1  0
 18 20  2  0
 19 21  1  0
 21 22  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  23  24  25
M  SBL   1  2   1   2
M  SMT   1 CH2CO
M  SBV   1   1   -0.6184    0.3570
M  SBV   1   2    0.8879   -0.9443
M  END
>  <MOL_ID>
molbank-2021-M1236-s002-mod

>  <DOI>
10.3390/M1236

$$$$

File : molbank-2021-M1235-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 48 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.773551 1.942838 0.000000 0
M  V30 2 C 0.774606 2.767578 0.000000 0
M  V30 3 C 0.060888 3.180861 0.000000 0
M  V30 4 C -0.653885 2.769405 0.000000 0
M  V30 5 C -0.654939 1.944665 0.000000 0
M  V30 6 C 0.058778 1.531382 0.000000 0
M  V30 7 C -1.367603 3.182688 0.000000 0
M  V30 8 C -2.082375 2.771232 0.000000 0
M  V30 9 C -2.083430 1.946493 0.000000 0
M  V30 10 N -1.369712 1.533209 0.000000 0
M  V30 11 C -2.798203 1.535036 0.000000 0
M  V30 12 N -2.799258 0.710297 0.000000 0
M  V30 13 C -3.514031 0.298841 0.000000 0
M  V30 14 C -3.515085 -0.525899 0.000000 0
M  V30 15 C -4.182934 -1.009815 0.000000 0
M  V30 16 C -3.929079 -1.794515 0.000000 0
M  V30 17 C -3.104339 -1.795570 0.000000 0
M  V30 18 O -2.848477 -1.011522 0.000000 0
M  V30 19 C -2.094116 -1.972474 0.000000 0
M  V30 20 C -2.064011 -2.796664 0.000000 0
M  V30 21 C -1.335189 -3.182688 0.000000 0
M  V30 22 C -0.636472 -2.744522 0.000000 0
M  V30 23 C -0.666576 -1.920331 0.000000 0
M  V30 24 C -1.395398 -1.534307 0.000000 0
M  V30 25 C 0.092351 -3.130546 0.000000 0
M  V30 26 C 0.791069 -2.692379 0.000000 0
M  V30 27 C 0.760964 -1.868188 0.000000 0
M  V30 28 N 0.032141 -1.482164 0.000000 0
M  V30 29 C 1.459682 -1.430021 0.000000 0
M  V30 30 N 1.429577 -0.605831 0.000000 0
M  V30 31 C 2.128294 -0.167665 0.000000 0
M  V30 32 C 2.098190 0.656526 0.000000 0
M  V30 33 C 2.747279 1.165328 0.000000 0
M  V30 34 C 2.463959 1.939878 0.000000 0
M  V30 35 C 1.639768 1.909773 0.000000 0
M  V30 36 O 1.413710 1.116618 0.000000 0
M  V30 37 Ag -0.772707 0.107170 0.000000 0
M  V30 38 Cl 3.357934 -0.305226 0.000000 0
M  V30 39 O 3.357934 0.519774 0.000000 0
M  V30 40 O 2.532934 -0.305226 0.000000 0
M  V30 41 O 3.357934 -1.130226 0.000000 0
M  V30 42 O 4.182934 -0.305226 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 10 5
M  V30 12 1 9 11
M  V30 13 2 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 2 14 15
M  V30 17 1 15 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 1 18 14
M  V30 21 2 19 20
M  V30 22 1 20 21
M  V30 23 2 21 22
M  V30 24 1 22 23
M  V30 25 2 23 24
M  V30 26 1 24 19
M  V30 27 1 22 25
M  V30 28 2 25 26
M  V30 29 1 26 27
M  V30 30 2 27 28
M  V30 31 1 28 23
M  V30 32 1 27 29
M  V30 33 2 29 30
M  V30 34 1 30 31
M  V30 35 1 31 32
M  V30 36 2 32 33
M  V30 37 1 33 34
M  V30 38 2 34 35
M  V30 39 1 35 36
M  V30 40 1 36 32
M  V30 41 1 12 37
M  V30 42 1 37 30
M  V30 43 1 10 37
M  V30 44 1 28 37
M  V30 45 2 38 39
M  V30 46 2 38 40
M  V30 47 2 38 41
M  V30 48 1 38 42
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 38 39 40 41 42) LABEL="ClO4-"
M  V30 2 GEN 2 ATOMS=(37 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 -
M  V30 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37) CONNECT=HT -
M  V30 BRKXYZ=(9 -4.603029 -3.485915 0 -4.603029 3.524376 0 0 0 0) BRKXYZ=(9 -
M  V30 3.108435 3.503751 0 3.108435 -3.506540 0 0 0 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1235-s003

>  <DOI>
10.3390/M1235

$$$$

File : molbank-2021-M1235-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 48 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.773551 1.942838 0.000000 0
M  V30 2 C 0.774606 2.767578 0.000000 0
M  V30 3 C 0.060888 3.180861 0.000000 0
M  V30 4 C -0.653885 2.769405 0.000000 0
M  V30 5 C -0.654939 1.944665 0.000000 0
M  V30 6 C 0.058778 1.531382 0.000000 0
M  V30 7 C -1.367603 3.182688 0.000000 0
M  V30 8 C -2.082375 2.771232 0.000000 0
M  V30 9 C -2.083430 1.946493 0.000000 0
M  V30 10 N -1.369712 1.533209 0.000000 0
M  V30 11 C -2.798203 1.535036 0.000000 0
M  V30 12 N -2.799258 0.710297 0.000000 0
M  V30 13 C -3.514031 0.298841 0.000000 0
M  V30 14 C -3.515085 -0.525899 0.000000 0
M  V30 15 C -4.182934 -1.009815 0.000000 0
M  V30 16 C -3.929079 -1.794515 0.000000 0
M  V30 17 C -3.104339 -1.795570 0.000000 0
M  V30 18 O -2.848477 -1.011522 0.000000 0
M  V30 19 C -2.094116 -1.972474 0.000000 0
M  V30 20 C -2.064011 -2.796664 0.000000 0
M  V30 21 C -1.335189 -3.182688 0.000000 0
M  V30 22 C -0.636472 -2.744522 0.000000 0
M  V30 23 C -0.666576 -1.920331 0.000000 0
M  V30 24 C -1.395398 -1.534307 0.000000 0
M  V30 25 C 0.092351 -3.130546 0.000000 0
M  V30 26 C 0.791069 -2.692379 0.000000 0
M  V30 27 C 0.760964 -1.868188 0.000000 0
M  V30 28 N 0.032141 -1.482164 0.000000 0
M  V30 29 C 1.459682 -1.430021 0.000000 0
M  V30 30 N 1.429577 -0.605831 0.000000 0
M  V30 31 C 2.128294 -0.167665 0.000000 0
M  V30 32 C 2.098190 0.656526 0.000000 0
M  V30 33 C 2.747279 1.165328 0.000000 0
M  V30 34 C 2.463959 1.939878 0.000000 0
M  V30 35 C 1.639768 1.909773 0.000000 0
M  V30 36 O 1.413710 1.116618 0.000000 0
M  V30 37 Ag -0.772707 0.107170 0.000000 0
M  V30 38 Cl 3.357934 -0.305226 0.000000 0
M  V30 39 O 3.357934 0.519774 0.000000 0
M  V30 40 O 2.532934 -0.305226 0.000000 0
M  V30 41 O 3.357934 -1.130226 0.000000 0
M  V30 42 O 4.182934 -0.305226 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 10 5
M  V30 12 1 9 11
M  V30 13 2 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 2 14 15
M  V30 17 1 15 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 1 18 14
M  V30 21 2 19 20
M  V30 22 1 20 21
M  V30 23 2 21 22
M  V30 24 1 22 23
M  V30 25 2 23 24
M  V30 26 1 24 19
M  V30 27 1 22 25
M  V30 28 2 25 26
M  V30 29 1 26 27
M  V30 30 2 27 28
M  V30 31 1 28 23
M  V30 32 1 27 29
M  V30 33 2 29 30
M  V30 34 1 30 31
M  V30 35 1 31 32
M  V30 36 2 32 33
M  V30 37 1 33 34
M  V30 38 2 34 35
M  V30 39 1 35 36
M  V30 40 1 36 32
M  V30 41 1 12 37
M  V30 42 1 37 30
M  V30 43 1 10 37
M  V30 44 1 28 37
M  V30 45 2 38 39
M  V30 46 2 38 40
M  V30 47 2 38 41
M  V30 48 1 38 42
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 38 39 40 41 42) LABEL="ClO4-"
M  V30 2 GEN 2 ATOMS=(37 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 -
M  V30 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37) CONNECT=HT -
M  V30 BRKXYZ=(9 -4.603029 -3.485915 0 -4.603029 3.524376 0 0 0 0) BRKXYZ=(9 -
M  V30 3.108435 3.503751 0 3.108435 -3.506540 0 0 0 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1235-s003-mod

>  <DOI>
10.3390/M1235

$$$$

File : molbank-2021-M1235-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 35 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.211716 -1.870930 0.000000 0
M  V30 2 N -0.250585 -1.047106 0.000000 0
M  V30 3 C -0.983472 -0.668855 0.000000 0
M  V30 4 C -1.677489 -1.114429 0.000000 0
M  V30 5 C -1.638620 -1.938253 0.000000 0
M  V30 6 C -0.905734 -2.316503 0.000000 0
M  V30 7 C -2.332638 -2.383826 0.000000 0
M  V30 8 N -3.065525 -2.005576 0.000000 0
M  V30 9 C -3.759543 -2.451149 0.000000 0
M  V30 10 C -4.492429 -2.072899 0.000000 0
M  V30 11 S -4.617199 -1.257651 0.000000 0
M  V30 12 C -5.431101 -1.124388 0.000000 0
M  V30 13 C -5.809352 -1.857274 0.000000 0
M  V30 14 C -5.229221 -2.443486 0.000000 0
M  V30 15 C 0.975335 2.451149 0.000000 0
M  V30 16 C 0.600627 1.716445 0.000000 0
M  V30 17 S 1.183581 1.133040 0.000000 0
M  V30 18 C 1.918575 1.507181 0.000000 0
M  V30 19 C 1.789871 2.321817 0.000000 0
M  V30 20 C 2.653279 1.132474 0.000000 0
M  V30 21 N 2.696125 0.308847 0.000000 0
M  V30 22 C 3.430829 -0.065861 0.000000 0
M  V30 23 C 3.473675 -0.889487 0.000000 0
M  V30 24 S 2.832531 -1.408266 0.000000 0
M  V30 25 C 3.127794 -2.178341 0.000000 0
M  V30 26 C 3.951421 -2.135495 0.000000 0
M  V30 27 C 4.165187 -1.338940 0.000000 0
M  V30 28 Ag 1.240307 -0.402802 0.000000 0
M  V30 29 Cl 4.984352 -0.422858 0.000000 0
M  V30 30 O 4.984352 0.402142 0.000000 0
M  V30 31 O 4.159352 -0.422858 0.000000 0
M  V30 32 O 4.984352 -1.247858 0.000000 0
M  V30 33 O 5.809352 -0.422858 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 5 7
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 2 14 10
M  V30 16 2 15 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 19 2 18 19
M  V30 20 1 19 15
M  V30 21 1 18 20
M  V30 22 2 20 21
M  V30 23 1 21 22
M  V30 24 1 22 23
M  V30 25 1 23 24
M  V30 26 1 24 25
M  V30 27 2 25 26
M  V30 28 1 26 27
M  V30 29 2 27 23
M  V30 30 1 2 28
M  V30 31 1 21 28
M  V30 32 2 29 30
M  V30 33 2 29 31
M  V30 34 2 29 32
M  V30 35 1 29 33
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 29 30 31 32 33) LABEL="ClO4-"
M  V30 2 GEN 2 ATOMS=(24 1 2 3 4 5 6 7 8 9 10 11 12 13 14 17 20 21 22 23 24 -
M  V30 25 26 27 28) CONNECT=HT BRKXYZ=(9 4.590497 1.715942 0 4.590497 -
M  V30 -2.490233 0 0 0 0) BRKXYZ=(9 -6.151912 -2.717095 0 -6.151912 1.489080 -
M  V30 0 0 0 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1235-s002

>  <DOI>
10.3390/M1235

$$$$

File : molbank-2021-M1235-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 35 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.211716 -1.870930 0.000000 0
M  V30 2 N -0.250585 -1.047106 0.000000 0
M  V30 3 C -0.983472 -0.668855 0.000000 0
M  V30 4 C -1.677489 -1.114429 0.000000 0
M  V30 5 C -1.638620 -1.938253 0.000000 0
M  V30 6 C -0.905734 -2.316503 0.000000 0
M  V30 7 C -2.332638 -2.383826 0.000000 0
M  V30 8 N -3.065525 -2.005576 0.000000 0
M  V30 9 C -3.759543 -2.451149 0.000000 0
M  V30 10 C -4.492429 -2.072899 0.000000 0
M  V30 11 S -4.617199 -1.257651 0.000000 0
M  V30 12 C -5.431101 -1.124388 0.000000 0
M  V30 13 C -5.809352 -1.857274 0.000000 0
M  V30 14 C -5.229221 -2.443486 0.000000 0
M  V30 15 C 0.975335 2.451149 0.000000 0
M  V30 16 C 0.600627 1.716445 0.000000 0
M  V30 17 S 1.183581 1.133040 0.000000 0
M  V30 18 C 1.918575 1.507181 0.000000 0
M  V30 19 C 1.789871 2.321817 0.000000 0
M  V30 20 C 2.653279 1.132474 0.000000 0
M  V30 21 N 2.696125 0.308847 0.000000 0
M  V30 22 C 3.430829 -0.065861 0.000000 0
M  V30 23 C 3.473675 -0.889487 0.000000 0
M  V30 24 S 2.832531 -1.408266 0.000000 0
M  V30 25 C 3.127794 -2.178341 0.000000 0
M  V30 26 C 3.951421 -2.135495 0.000000 0
M  V30 27 C 4.165187 -1.338940 0.000000 0
M  V30 28 Ag 1.240307 -0.402802 0.000000 0
M  V30 29 Cl 4.984352 -0.422858 0.000000 0
M  V30 30 O 4.984352 0.402142 0.000000 0
M  V30 31 O 4.159352 -0.422858 0.000000 0
M  V30 32 O 4.984352 -1.247858 0.000000 0
M  V30 33 O 5.809352 -0.422858 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 5 7
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 2 14 10
M  V30 16 2 15 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 19 2 18 19
M  V30 20 1 19 15
M  V30 21 1 18 20
M  V30 22 2 20 21
M  V30 23 1 21 22
M  V30 24 1 22 23
M  V30 25 1 23 24
M  V30 26 1 24 25
M  V30 27 2 25 26
M  V30 28 1 26 27
M  V30 29 2 27 23
M  V30 30 1 2 28
M  V30 31 1 21 28
M  V30 32 2 29 30
M  V30 33 2 29 31
M  V30 34 2 29 32
M  V30 35 1 29 33
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 29 30 31 32 33) LABEL="ClO4-"
M  V30 2 GEN 2 ATOMS=(24 1 2 3 4 5 6 7 8 9 10 11 12 13 14 17 20 21 22 23 24 -
M  V30 25 26 27 28) CONNECT=HT BRKXYZ=(9 4.590497 1.715942 0 4.590497 -
M  V30 -2.490233 0 0 0 0) BRKXYZ=(9 -6.151912 -2.717095 0 -6.151912 1.489080 -
M  V30 0 0 0 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1235-s002-mod

>  <DOI>
10.3390/M1235

$$$$

File : molbank-2021-M1234-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.460124 0.192372 0.000000 0
M  V30 2 C -1.745439 -0.219957 0.000000 0
M  V30 3 C -2.460124 1.016953 0.000000 0
M  V30 4 C -1.745439 1.429217 0.000000 0
M  V30 5 C -1.030813 1.016953 0.000000 0
M  V30 6 C -1.030813 0.192372 0.000000 0
M  V30 7 O -0.343648 1.429217 0.000000 0
M  V30 8 C 0.370984 1.016953 0.000000 0
M  V30 9 C 0.370984 0.192372 0.000000 0
M  V30 10 C -0.343648 -0.219957 0.000000 0
M  V30 11 O -0.343648 -1.044537 0.000000 0
M  V30 12 O -1.745439 -1.044537 0.000000 0
M  V30 13 O -3.174744 1.429217 0.000000 0
M  V30 14 C 1.085722 1.429217 0.000000 0
M  V30 15 C 1.085722 2.253921 0.000000 0
M  V30 16 C 1.800296 1.016953 0.000000 0
M  V30 17 C 2.515039 1.429217 0.000000 0
M  V30 18 C 2.515039 2.253921 0.000000 0
M  V30 19 C 1.800296 2.666244 0.000000 0
M  V30 20 O 3.174744 2.666244 0.000000 0
M  V30 21 O 0.370984 -1.456866 0.000000 0
M  V30 22 C 0.370984 -2.281447 0.000000 0
M  V30 23 C 1.085722 -1.044537 0.000000 0
M  V30 24 C 1.800296 -1.456866 0.000000 0
M  V30 25 C 1.800296 -2.281447 0.000000 0
M  V30 26 C 1.085722 -2.693769 0.000000 0
M  V30 27 O 1.085722 -0.219957 0.000000 0
M  V30 28 O 2.515039 -1.044537 0.000000 0
M  V30 29 O 2.515039 -2.693769 0.000000 0
M  V30 30 O 1.085722 -3.463376 0.000000 0
M  V30 31 C -0.343648 -2.693769 0.000000 0
M  V30 32 O 1.800296 3.463376 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 1 2 6
M  V30 6 2 5 6
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 6 10
M  V30 12 2 10 11
M  V30 13 1 2 12
M  V30 14 1 3 13
M  V30 15 2 14 15
M  V30 16 1 14 16
M  V30 17 2 16 17
M  V30 18 1 17 18
M  V30 19 2 18 19
M  V30 20 1 15 19
M  V30 21 1 18 20
M  V30 22 1 21 22
M  V30 23 1 21 23
M  V30 24 1 23 24
M  V30 25 1 24 25
M  V30 26 1 25 26
M  V30 27 1 22 26
M  V30 28 1 23 27
M  V30 29 1 24 28
M  V30 30 1 25 29
M  V30 31 1 26 30
M  V30 32 1 22 31
M  V30 33 1 8 14
M  V30 34 1 9 27
M  V30 35 1 19 32
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1234-s003

>  <DOI>
10.3390/M1234

$$$$

File : molbank-2021-M1234-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  -6.120086 0.381348 3.704322 0
M  V30 2 C  -4.831504 0.881023 3.719031 0
M  V30 3 C  -6.546516 -0.421025 2.651113 0
M  V30 4 C  -5.690037 -0.729702 1.606244 0
M  V30 5 C  -4.393259 -0.238326 1.603039 0
M  V30 6 C  -3.959547 0.572355 2.666487 0
M  V30 7 O  -3.547246 -0.530283 0.593013 0
M  V30 8 C  -2.284246 -0.071830 0.558191 0
M  V30 9 C  -1.766950 0.720223 1.538838 0
M  V30 10 C  -2.577867 1.078496 2.646765 0
M  V30 11 O  -2.147374 1.782272 3.546484 0
M  V30 12 O  -4.413867 1.664799 4.745275 0
M  V30 13 O  -7.814437 -0.906192 2.646497 0
M  V30 14 C  -1.426532 -0.440053 -0.583296 0
M  V30 15 C  -0.684172 0.540885 -1.246958 0
M  V30 16 C  -1.358277 -1.769905 -1.008015 0
M  V30 17 C  -0.556269 -2.111929 -2.075546 0
M  V30 18 C  0.184435 -1.138444 -2.731264 0
M  V30 19 C  0.120959 0.189664 -2.313573 0
M  V30 20 O  0.973123 -1.481021 -3.783384 0
M  V30 21 O  0.684577 -0.714315 2.218407 0
M  V30 22 C  1.570663 -1.308923 3.168891 0
M  V30 23 C  0.432380 0.673951 2.444773 0
M  V30 24 C  1.747269 1.452206 2.349377 0
M  V30 25 C  2.741547 0.886304 3.367957 0
M  V30 26 C  2.931284 -0.610332 3.102586 0
M  V30 27 O  -0.481334 1.159450 1.459146 0
M  V30 28 O  1.507042 2.832144 2.632400 0
M  V30 29 O  3.995864 1.558037 3.235651 0
M  V30 30 O  3.501144 -0.796844 1.805468 0
M  V30 31 C  1.743532 -2.794420 2.845912 0
M  V30 32 O  0.848209 1.140757 -2.958588 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 5 1 2 6
M  V30 13 1 2 12
M  V30 3 2 3 4
M  V30 14 1 3 13
M  V30 4 1 4 5
M  V30 6 2 5 6
M  V30 7 1 5 7
M  V30 11 1 6 10
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 33 1 8 14
M  V30 10 1 9 10
M  V30 34 1 9 27
M  V30 12 2 10 11
M  V30 15 2 14 15
M  V30 16 1 14 16
M  V30 20 1 15 19
M  V30 17 2 16 17
M  V30 18 1 17 18
M  V30 19 2 18 19
M  V30 21 1 18 20
M  V30 35 1 19 32
M  V30 22 1 21 22
M  V30 23 1 21 23
M  V30 27 1 22 26
M  V30 32 1 22 31
M  V30 24 1 23 24
M  V30 28 1 23 27
M  V30 25 1 24 25
M  V30 29 1 24 28
M  V30 26 1 25 26
M  V30 30 1 25 29
M  V30 31 1 26 30
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1234-s003-mod

>  <DOI>
10.3390/M1234

$$$$

File : molbank-2021-M1234-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.109706 -1.649967 0.000000 0
M  V30 2 C -1.395021 -2.062296 0.000000 0
M  V30 3 C -2.109706 -0.825387 0.000000 0
M  V30 4 C -1.395021 -0.413123 0.000000 0
M  V30 5 C -0.680395 -0.825387 0.000000 0
M  V30 6 C -0.680395 -1.649967 0.000000 0
M  V30 7 O 0.006770 -0.413123 0.000000 0
M  V30 8 C 0.721402 -0.825387 0.000000 0
M  V30 9 C 0.721402 -1.649967 0.000000 0
M  V30 10 C 0.006770 -2.062296 0.000000 0
M  V30 11 O 0.006770 -2.886877 0.000000 0
M  V30 12 O -1.395021 -2.886877 0.000000 0
M  V30 13 O -2.824326 -0.413123 0.000000 0
M  V30 14 C 1.436140 -0.413123 0.000000 0
M  V30 15 C 1.436140 0.411581 0.000000 0
M  V30 16 C 2.150714 -0.825387 0.000000 0
M  V30 17 C 2.865457 -0.413123 0.000000 0
M  V30 18 C 2.865457 0.411581 0.000000 0
M  V30 19 C 2.150714 0.823904 0.000000 0
M  V30 20 O 3.525162 0.823904 0.000000 0
M  V30 21 O 2.150714 1.621036 0.000000 0
M  V30 22 C 4.253633 0.436664 0.000000 0
M  V30 23 C -2.824604 0.411877 0.000000 0
M  V30 24 C -2.110064 0.824256 0.000000 0
M  V30 25 C -2.110064 1.649256 0.000000 0
M  V30 26 C -2.824604 2.061877 0.000000 0
M  V30 27 C -3.539145 1.649256 0.000000 0
M  V30 28 O -3.539145 0.824256 0.000000 0
M  V30 29 C -4.253633 2.061726 0.000000 0
M  V30 30 O -2.824604 2.886877 0.000000 0
M  V30 31 O -1.395576 2.061726 0.000000 0
M  V30 32 O -1.395628 0.411696 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 1 2 6
M  V30 6 2 5 6
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 6 10
M  V30 12 2 10 11
M  V30 13 1 2 12
M  V30 14 1 3 13
M  V30 15 2 14 15
M  V30 16 1 14 16
M  V30 17 2 16 17
M  V30 18 1 17 18
M  V30 19 2 18 19
M  V30 20 1 15 19
M  V30 21 1 18 20
M  V30 22 1 8 14
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 25 1 13 23
M  V30 26 1 23 24
M  V30 27 1 24 25
M  V30 28 1 25 26
M  V30 29 1 26 27
M  V30 30 1 27 28
M  V30 31 1 28 23
M  V30 32 1 27 29
M  V30 33 1 26 30
M  V30 34 1 25 31
M  V30 35 1 24 32
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1234-s002

>  <DOI>
10.3390/M1234

$$$$

File : molbank-2021-M1234-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  3.470442 3.568339 -0.011511 0
M  V30 2 C  3.545289 2.187875 -0.019685 0
M  V30 3 C  2.231887 4.200782 0.003320 0
M  V30 4 C  1.060333 3.459900 0.009638 0
M  V30 5 C  1.115209 2.074732 0.002553 0
M  V30 6 C  2.365473 1.433103 -0.012917 0
M  V30 7 O  -0.016130 1.338307 0.009400 0
M  V30 8 C  0.002075 -0.004068 0.002017 0
M  V30 9 C  1.158913 -0.719444 -0.012500 0
M  V30 10 C  2.399663 -0.039215 -0.020736 0
M  V30 11 O  3.456867 -0.648814 -0.034205 0
M  V30 12 O  4.752876 1.568759 -0.034607 0
M  V30 13 O  2.169663 5.556857 0.011238 0
M  V30 14 C  -1.281428 -0.730972 0.010453 0
M  V30 15 C  -2.486795 -0.023822 0.031683 0
M  V30 16 C  -1.294998 -2.128401 0.003080 0
M  V30 17 C  -2.495129 -2.805811 0.011460 0
M  V30 18 C  -3.692268 -2.103336 0.027224 0
M  V30 19 C  -3.686223 -0.709498 0.034653 0
M  V30 20 O  -4.872538 -2.775904 0.035882 0
M  V30 21 O  -4.860992 -0.024515 0.050551 0
M  V30 22 C  -4.805896 -4.203328 0.028004 0
M  V30 23 C  3.411783 6.263342 0.003626 0
M  V30 24 C  3.143631 7.766231 -0.110987 0
M  V30 25 C  2.352178 8.230748 1.115458 0
M  V30 26 C  3.138148 7.875347 2.381270 0
M  V30 27 C  3.406512 6.368243 2.399621 0
M  V30 28 O  4.118482 5.997860 1.216977 0
M  V30 29 C  4.242789 6.013848 3.630857 0
M  V30 30 O  4.380365 8.581686 2.386144 0
M  V30 31 O  2.160691 9.645486 1.053097 0
M  V30 32 O  2.386858 8.027379 -1.294683 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 1 3
M  V30 5 1 2 6
M  V30 13 1 2 12
M  V30 3 2 3 4
M  V30 14 1 3 13
M  V30 4 1 4 5
M  V30 6 2 5 6
M  V30 7 1 5 7
M  V30 11 1 6 10
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 22 1 8 14
M  V30 10 1 9 10
M  V30 12 2 10 11
M  V30 25 1 13 23
M  V30 15 2 14 15
M  V30 16 1 14 16
M  V30 20 1 15 19
M  V30 17 2 16 17
M  V30 18 1 17 18
M  V30 19 2 18 19
M  V30 21 1 18 20
M  V30 23 1 19 21
M  V30 24 1 20 22
M  V30 26 1 23 24
M  V30 31 1 28 23
M  V30 27 1 24 25
M  V30 35 1 24 32
M  V30 28 1 25 26
M  V30 34 1 25 31
M  V30 29 1 26 27
M  V30 33 1 26 30
M  V30 30 1 27 28
M  V30 32 1 27 29
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1234-s002-mod

>  <DOI>
10.3390/M1234

$$$$

File : molbank-2021-M1232-s002.mol

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 33 35  2  0  0  0  0
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M  END
>  <MOL_ID>
molbank-2021-M1232-s002

>  <DOI>
10.3390/M1232

$$$$

File : molbank-2021-M1232-s002-mod.mol

 37 42  0  0  1  0  0  0  0  0999 V2000
   -4.3692   -1.4824   -5.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8093   -0.0484   -5.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <MOL_ID>
molbank-2021-M1232-s002-mod

>  <DOI>
10.3390/M1232

$$$$

File : molbank-2021-M1231-s002.mol

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>  <MOL_ID>
molbank-2021-M1231-s002

>  <DOI>
10.3390/M1231

$$$$

File : molbank-2021-M1231-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1231-s002-mod

>  <DOI>
10.3390/M1231

$$$$

File : molbank-2021-M1230-s002.mol

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>  <MOL_ID>
molbank-2021-M1230-s002

>  <DOI>
10.3390/M1230

$$$$

File : molbank-2021-M1230-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1230-s002-mod

>  <DOI>
10.3390/M1230

$$$$

File : molbank-2021-M1229-s002.mol

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>  <MOL_ID>
molbank-2021-M1229-s002

>  <DOI>
10.3390/M1229

$$$$

File : molbank-2021-M1229-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1229-s002-mod

>  <DOI>
10.3390/M1229

$$$$

File : molbank-2021-M1228-s002.mol

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>  <MOL_ID>
molbank-2021-M1228-s002

>  <DOI>
10.3390/M1228

$$$$

File : molbank-2021-M1228-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1228-s002-mod

>  <DOI>
10.3390/M1228

$$$$

File : molbank-2021-M1226-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.243137 0.445500 0.000000 0
M  V30 2 C -1.243137 -0.033000 0.000000 0
M  V30 3 C -0.828713 -0.272250 0.000000 0
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M  V30 6 C -0.828713 0.684750 0.000000 0
M  V30 7 C -0.000137 0.684750 0.000000 0
M  V30 8 C 0.414287 0.445500 0.000000 0
M  V30 9 O -0.000137 1.163250 0.000000 0
M  V30 10 C 0.828713 0.684750 0.000000 0
M  V30 11 C 0.414287 -0.033000 0.000000 0
M  V30 12 C 1.243137 -0.033000 0.000000 0
M  V30 13 C 1.657563 -0.272250 0.000000 0
M  V30 14 C 0.828713 -0.272250 0.000000 0
M  V30 15 C 0.828713 -0.750750 0.000000 0
M  V30 16 C 1.243137 -0.990000 0.000000 0
M  V30 17 C 1.657563 -0.750750 0.000000 0
M  V30 18 O -1.657563 -0.272250 0.000000 0
M  V30 19 C -1.657563 -1.097250 0.000000 0
M  V30 20 O -0.828713 -0.750750 0.000000 0
M  V30 21 C -0.114263 -1.163250 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 1 2 18
M  V30 3 1 20 21
M  V30 4 1 3 20
M  V30 5 2 1 2
M  V30 6 1 2 3
M  V30 7 2 3 4
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M  V30 18 1 14 12
M  V30 19 2 14 15
M  V30 20 1 15 16
M  V30 21 2 16 17
M  V30 22 1 17 13
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 18 19) XBONDS=(1 2) LABEL=OCH3 CSTATE=(4 2 0.414425 -
M  V30 0.239250 0)
M  V30 2 SUP 2 ATOMS=(2 20 21) XBONDS=(1 4) LABEL=OCH3 CSTATE=(4 4 0.000000 -
M  V30 0.478500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1226-s002

>  <DOI>
10.3390/M1226

$$$$

File : molbank-2021-M1226-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.243137 0.445500 0.000000 0
M  V30 2 C -1.243137 -0.033000 0.000000 0
M  V30 3 C -0.828713 -0.272250 0.000000 0
M  V30 4 C -0.414563 -0.033000 0.000000 0
M  V30 5 C -0.414563 0.445500 0.000000 0
M  V30 6 C -0.828713 0.684750 0.000000 0
M  V30 7 C -0.000137 0.684750 0.000000 0
M  V30 8 C 0.414287 0.445500 0.000000 0
M  V30 9 O -0.000137 1.163250 0.000000 0
M  V30 10 C 0.828713 0.684750 0.000000 0
M  V30 11 C 0.414287 -0.033000 0.000000 0
M  V30 12 C 1.243137 -0.033000 0.000000 0
M  V30 13 C 1.657563 -0.272250 0.000000 0
M  V30 14 C 0.828713 -0.272250 0.000000 0
M  V30 15 C 0.828713 -0.750750 0.000000 0
M  V30 16 C 1.243137 -0.990000 0.000000 0
M  V30 17 C 1.657563 -0.750750 0.000000 0
M  V30 18 O -1.657563 -0.272250 0.000000 0
M  V30 19 C -1.657563 -1.097250 0.000000 0
M  V30 20 O -0.828713 -0.750750 0.000000 0
M  V30 21 C -0.114263 -1.163250 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 18 19
M  V30 2 1 2 18
M  V30 3 1 20 21
M  V30 4 1 3 20
M  V30 5 2 1 2
M  V30 6 1 2 3
M  V30 7 2 3 4
M  V30 8 1 4 5
M  V30 9 2 5 6
M  V30 10 1 6 1
M  V30 11 1 5 7
M  V30 12 1 7 8
M  V30 13 2 7 9
M  V30 14 1 8 10
M  V30 15 2 8 11
M  V30 16 2 12 13
M  V30 17 1 11 14
M  V30 18 1 14 12
M  V30 19 2 14 15
M  V30 20 1 15 16
M  V30 21 2 16 17
M  V30 22 1 17 13
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 18 19) XBONDS=(1 2) LABEL=OCH3 CSTATE=(4 2 0.414425 -
M  V30 0.239250 0)
M  V30 2 SUP 2 ATOMS=(2 20 21) XBONDS=(1 4) LABEL=OCH3 CSTATE=(4 4 0.000000 -
M  V30 0.478500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1226-s002-mod

>  <DOI>
10.3390/M1226

$$$$

File : molbank-2021-M1225-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1225-s002

>  <DOI>
10.3390/M1225

$$$$

File : molbank-2021-M1225-s002-mod.mol

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   -0.0463    1.3540   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903    1.9544   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2360    1.1000   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6450   -0.5564   -0.0079 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3535   -5.7027   -0.2473 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2190   -7.0368   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570   -6.5573   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8563   -5.1893   -0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1110   -1.2431    0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2473   -0.4759    0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0364    0.8575    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3148    1.1793    0.2393 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900   -8.4643   -0.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9331   -8.8426   -0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2754  -10.1795   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2807  -11.1462   -0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9464  -10.7710   -0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5981   -9.4385   -0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6594    1.4962   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0109    2.8428    0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3405    3.2110    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3303    2.2460   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9866    0.9006   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562    0.5241   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0910    1.8887    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7447    3.2395    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7356    4.2010    0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0755    3.8205    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4193    2.4787    0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4359    1.5144    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0485    4.7671    0.7251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4019    5.5178    0.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9598   -0.0431   -0.2311 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6394    2.6139   -0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6187  -12.4610   -0.7370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5829  -10.5509   -0.4871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5486  -13.3993   -0.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1195  -14.8169   -0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739  -15.8216   -1.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448  -17.2392   -1.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3991  -18.2439   -1.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700  -19.6614   -1.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8243  -20.6661   -1.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3952  -22.0837   -1.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2495  -23.0884   -1.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204  -24.5059   -1.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3253  -25.5106   -1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2456  -26.9282   -1.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5498   -9.5069   -0.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9541  -10.1134   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9893   -8.9956   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3937   -9.6021   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4289   -8.4843   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8332   -9.0908    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8684   -7.9730    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2727   -8.5795    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3080   -7.4617    0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7123   -8.0682    0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7475   -6.9504    0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1518   -7.5569    0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5359   -1.3897   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7606   -2.2810   -0.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3042   -3.6965   -1.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5230   -4.6166   -1.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0808   -6.0009   -1.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2771   -6.9544   -1.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8656   -8.3031   -2.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0233   -9.2943   -2.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6118  -10.6429   -2.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7695  -11.6341   -2.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3580  -12.9827   -3.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5157  -13.9739   -2.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9209    4.0101    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4351    4.2284    0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7366    5.7232    0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2508    5.9414    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5522    7.4363    0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0664    7.6545    0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3678    9.1494    0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8821    9.3676    0.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1835   10.8625    0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6977   11.0807    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9991   12.5755    0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5134   12.7938    0.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0168    5.8432    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8503    7.3639    0.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3610    7.7138    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1943    9.2273    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7087    9.5653    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5317   11.0848    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399   11.4242    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8607   12.9405    0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3689   13.2799    0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1897   14.7962    0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020   15.1356    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4812   16.6519    0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4015    4.3072    0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3470    5.5065    0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7956    5.0142    0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7410    6.2135    0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1896    5.7212    0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1351    6.9205    1.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5837    6.4282    1.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5292    7.6275    1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.9778    7.1351    1.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.9232    8.3344    1.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.3718    7.8421    1.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.3173    9.0414    1.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  2  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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  8 14  1  0  0  0  0
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  9 18  2  0  0  0  0
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 68 69  1  0  0  0  0
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 70 71  1  0  0  0  0
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 72 73  1  0  0  0  0
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 80 81  1  0  0  0  0
 43 82  1  0  0  0  0
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 84 85  1  0  0  0  0
 85 86  1  0  0  0  0
 86 87  1  0  0  0  0
 87 88  1  0  0  0  0
 88 89  1  0  0  0  0
 89 90  1  0  0  0  0
 90 91  1  0  0  0  0
 91 92  1  0  0  0  0
 92 93  1  0  0  0  0
 41 94  1  0  0  0  0
 94 95  1  0  0  0  0
 95 96  1  0  0  0  0
 96 97  1  0  0  0  0
 97 98  1  0  0  0  0
 98 99  1  0  0  0  0
 99100  1  0  0  0  0
100101  1  0  0  0  0
101102  1  0  0  0  0
102103  1  0  0  0  0
103104  1  0  0  0  0
104105  1  0  0  0  0
 40106  1  0  0  0  0
106107  1  0  0  0  0
107108  1  0  0  0  0
108109  1  0  0  0  0
109110  1  0  0  0  0
110111  1  0  0  0  0
111112  1  0  0  0  0
112113  1  0  0  0  0
113114  1  0  0  0  0
114115  1  0  0  0  0
115116  1  0  0  0  0
116117  1  0  0  0  0
M  END
>  <MOL_ID>
molbank-2021-M1225-s002-mod

>  <DOI>
10.3390/M1225

$$$$

File : molbank-2021-M1224-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 35 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.494000 7.420000 2.099000 0
M  V30 2 O 5.032000 9.020000 0.615000 0
M  V30 3 O 0.952000 13.569000 3.790000 0
M  V30 4 O -2.245000 16.539000 9.051000 0
M  V30 5 O -2.809000 14.649000 10.126000 0
M  V30 6 C 3.929000 9.714000 2.674000 0 CFG=3 VAL=3
M  V30 7 C -1.850000 14.469000 7.925000 0 CFG=3 VAL=3
M  V30 8 C -2.751000 15.226000 8.854000 0 VAL=3
M  V30 9 C 4.908000 8.772000 1.989000 0 VAL=3
M  V30 10 C 3.554000 10.912000 2.079000 0 VAL=2
M  V30 11 N 0.842000 12.184000 5.614000 0 VAL=2
M  V30 12 C 3.436000 9.399000 3.936000 0 VAL=2
M  V30 13 N 1.269000 12.489000 4.446000 0 CFG=3
M  V30 14 C -1.239000 13.272000 8.313000 0 VAL=2
M  V30 15 C 2.556000 10.264000 4.581000 0 VAL=2
M  V30 16 C -1.602000 14.980000 6.668000 0 CFG=2 VAL=3
M  V30 17 C 3.645000 7.183000 0.966000 0 VAL=2
M  V30 18 C 2.190000 11.457000 3.941000 0 CFG=2
M  V30 19 C 2.689000 11.786000 2.707000 0 VAL=2
M  V30 20 C 3.951000 8.302000 0.003000 0 VAL=2
M  V30 21 C -0.052000 12.981000 6.309000 0 CFG=3 VAL=3
M  V30 22 C -0.372000 12.628000 7.451000 0 CFG=1 VAL=3
M  V30 23 C -3.197000 15.716000 11.003000 0 VAL=2
M  V30 24 C -0.699000 14.155000 5.838000 0 VAL=2
M  V30 25 C -2.754000 16.968000 10.294000 0 VAL=2
M  V30 26 N 0.709000 12.990000 4.891000 0 CFG=3
M  V30 27 N 1.235000 11.857000 5.150000 0 VAL=2
M  V30 28 C -0.194000 13.424000 6.015000 0 CFG=3 VAL=3
M  V30 29 C -0.770000 14.647000 5.703000 0 VAL=2
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 9
M  V30 2 1 1 17
M  V30 3 1 2 9
M  V30 4 1 2 20
M  V30 5 1 3 13
M  V30 6 1 3 26
M  V30 7 1 4 8
M  V30 8 1 4 25
M  V30 9 1 5 8
M  V30 10 1 5 23
M  V30 11 1 6 9
M  V30 12 1 6 10
M  V30 13 1 6 12
M  V30 14 1 7 8
M  V30 15 1 7 14
M  V30 16 1 7 16
M  V30 17 1 10 19
M  V30 18 1 11 13
M  V30 19 1 11 21
M  V30 20 1 12 15
M  V30 21 1 13 18
M  V30 22 1 14 22
M  V30 23 1 15 18
M  V30 24 1 16 24
M  V30 25 1 16 29
M  V30 26 1 17 20
M  V30 27 1 18 19
M  V30 28 1 18 27
M  V30 29 1 21 22
M  V30 30 1 21 24
M  V30 31 1 22 28
M  V30 32 1 23 25
M  V30 33 1 26 27
M  V30 34 1 26 28
M  V30 35 1 28 29
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1224-s002

>  <DOI>
10.3390/M1224

$$$$

File : molbank-2021-M1224-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 35 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 4.494000 7.420000 2.099000 0
M  V30 2 O 5.032000 9.020000 0.615000 0
M  V30 3 O 0.952000 13.569000 3.790000 0
M  V30 4 O -2.245000 16.539000 9.051000 0
M  V30 5 O -2.809000 14.649000 10.126000 0
M  V30 6 C 3.929000 9.714000 2.674000 0 CFG=3 VAL=3
M  V30 7 C -1.850000 14.469000 7.925000 0 CFG=3 VAL=3
M  V30 8 C -2.751000 15.226000 8.854000 0 VAL=3
M  V30 9 C 4.908000 8.772000 1.989000 0 VAL=3
M  V30 10 C 3.554000 10.912000 2.079000 0 VAL=2
M  V30 11 N 0.842000 12.184000 5.614000 0 VAL=2
M  V30 12 C 3.436000 9.399000 3.936000 0 VAL=2
M  V30 13 N 1.269000 12.489000 4.446000 0 CFG=3
M  V30 14 C -1.239000 13.272000 8.313000 0 VAL=2
M  V30 15 C 2.556000 10.264000 4.581000 0 VAL=2
M  V30 16 C -1.602000 14.980000 6.668000 0 CFG=2 VAL=3
M  V30 17 C 3.645000 7.183000 0.966000 0 VAL=2
M  V30 18 C 2.190000 11.457000 3.941000 0 CFG=2
M  V30 19 C 2.689000 11.786000 2.707000 0 VAL=2
M  V30 20 C 3.951000 8.302000 0.003000 0 VAL=2
M  V30 21 C -0.052000 12.981000 6.309000 0 CFG=3 VAL=3
M  V30 22 C -0.372000 12.628000 7.451000 0 CFG=1 VAL=3
M  V30 23 C -3.197000 15.716000 11.003000 0 VAL=2
M  V30 24 C -0.699000 14.155000 5.838000 0 VAL=2
M  V30 25 C -2.754000 16.968000 10.294000 0 VAL=2
M  V30 26 N 0.709000 12.990000 4.891000 0 CFG=3
M  V30 27 N 1.235000 11.857000 5.150000 0 VAL=2
M  V30 28 C -0.194000 13.424000 6.015000 0 CFG=3 VAL=3
M  V30 29 C -0.770000 14.647000 5.703000 0 VAL=2
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 9
M  V30 2 1 1 17
M  V30 3 1 2 9
M  V30 4 1 2 20
M  V30 5 1 3 13
M  V30 6 1 3 26
M  V30 7 1 4 8
M  V30 8 1 4 25
M  V30 9 1 5 8
M  V30 10 1 5 23
M  V30 11 1 6 9
M  V30 12 1 6 10
M  V30 13 1 6 12
M  V30 14 1 7 8
M  V30 15 1 7 14
M  V30 16 1 7 16
M  V30 17 1 10 19
M  V30 18 1 11 13
M  V30 19 1 11 21
M  V30 20 1 12 15
M  V30 21 1 13 18
M  V30 22 1 14 22
M  V30 23 1 15 18
M  V30 24 1 16 24
M  V30 25 1 16 29
M  V30 26 1 17 20
M  V30 27 1 18 19
M  V30 28 1 18 27
M  V30 29 1 21 22
M  V30 30 1 21 24
M  V30 31 1 22 28
M  V30 32 1 23 25
M  V30 33 1 26 27
M  V30 34 1 26 28
M  V30 35 1 28 29
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1224-s002-mod

>  <DOI>
10.3390/M1224

$$$$

File : molbank-2021-M1222-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 48 1 0 1
M  V30 BEGIN ATOM
M  V30 1 C -2.857472 -1.086495 0.000000 0
M  V30 2 C -2.857472 -1.911495 0.000000 0
M  V30 3 C -2.143104 -2.324139 0.000000 0
M  V30 4 C -1.428736 -1.911495 0.000000 0
M  V30 5 C -1.428736 -1.086495 0.000000 0
M  V30 6 C -2.143104 -0.674138 0.000000 0
M  V30 7 C -0.714081 -2.324139 0.000000 0
M  V30 8 C 0.000287 -1.911495 0.000000 0
M  V30 9 C 0.000287 -1.086495 0.000000 0
M  V30 10 C -0.714081 -0.674138 0.000000 0
M  V30 11 C 0.714655 -0.674138 0.000000 0
M  V30 12 C 0.714655 0.150862 0.000000 0
M  V30 13 C 0.000287 0.563506 0.000000 0
M  V30 14 C -0.714081 0.150862 0.000000 0
M  V30 15 C 1.429024 -1.086495 0.000000 0
M  V30 16 C 2.143679 -0.674138 0.000000 0
M  V30 17 C 2.143679 0.150862 0.000000 0
M  V30 18 C 1.429024 0.563506 0.000000 0
M  V30 19 C -2.555748 -3.038507 0.000000 0
M  V30 20 C -1.730747 -3.038507 0.000000 0
M  V30 21 C -1.428736 -0.261494 0.000000 0
M  V30 22 C 0.000287 -0.261494 0.000000 0
M  V30 23 C 0.714655 -1.499139 0.000000 0
M  V30 24 O -3.572415 -2.324139 0.000000 0
M  V30 25 C 2.858047 0.563506 0.000000 0
M  V30 26 C 2.858047 1.388506 0.000000 0
M  V30 27 C 2.143679 1.800863 0.000000 0
M  V30 28 C 1.429024 1.388506 0.000000 0
M  V30 29 C 1.731035 2.515518 0.000000 0
M  V30 30 C 2.556035 2.515518 0.000000 0
M  V30 31 O 0.714655 1.800863 0.000000 0
M  V30 32 C 0.000287 2.213507 0.000000 0
M  V30 33 O 0.000287 3.038507 0.000000 0
M  V30 34 C -0.714081 1.800863 0.000000 0
M  V30 35 F -0.714081 0.975862 0.000000 0
M  V30 36 F -1.428736 1.388506 0.000000 0
M  V30 37 F -1.428736 2.213507 0.000000 0
M  V30 38 H 1.429024 -0.261494 0.000000 0
M  V30 39 H -1.428736 -2.736495 0.000000 0
M  V30 40 H -0.714081 -1.499139 0.000000 0
M  V30 41 H 0.714655 0.975862 0.000000 0
M  V30 42 C 2.858047 -0.261494 0.000000 0
M  V30 43 O 3.572415 0.150862 0.000000 0
M  V30 44 O 2.858047 -1.086495 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 42 43
M  V30 2 1 42 44
M  V30 3 1 17 42 CFG=1
M  V30 4 1 1 2
M  V30 5 1 2 3
M  V30 6 1 3 4
M  V30 7 1 4 5
M  V30 8 1 5 6
M  V30 9 1 6 1
M  V30 10 1 4 7
M  V30 11 1 7 8
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 10 5
M  V30 15 1 9 11
M  V30 16 1 11 12
M  V30 17 1 12 13
M  V30 18 1 13 14
M  V30 19 1 14 10
M  V30 20 1 11 15
M  V30 21 1 15 16
M  V30 22 1 16 17
M  V30 23 1 17 18
M  V30 24 1 18 12
M  V30 25 1 3 19 CFG=1
M  V30 26 1 3 20 CFG=3
M  V30 27 1 5 21 CFG=1
M  V30 28 1 9 22 CFG=1
M  V30 29 1 11 23 CFG=3
M  V30 30 2 2 24
M  V30 31 1 17 25
M  V30 32 1 25 26
M  V30 33 1 26 27
M  V30 34 1 27 28
M  V30 35 1 28 18
M  V30 36 1 27 29 CFG=1
M  V30 37 1 27 30 CFG=3
M  V30 38 1 28 31 CFG=1
M  V30 39 1 31 32
M  V30 40 2 32 33
M  V30 41 1 32 34
M  V30 42 1 34 35
M  V30 43 1 34 36
M  V30 44 1 34 37
M  V30 45 1 18 38 CFG=3
M  V30 46 1 4 39 CFG=3
M  V30 47 1 10 40 CFG=3
M  V30 48 1 12 41 CFG=1
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 42 43 44) XBONDS=(1 3) LABEL=COOH CSTATE=(4 3 -
M  V30 -0.714368 0.412356 0)
M  V30 END SGROUP
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(11 3 4 5 9 10 11 12 17 18 27 28)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1222-s002

>  <DOI>
10.3390/M1222

$$$$

File : molbank-2021-M1222-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 48 1 0 1
M  V30 BEGIN ATOM
M  V30 1 C -2.857472 -1.086495 0.000000 0
M  V30 2 C -2.857472 -1.911495 0.000000 0
M  V30 3 C -2.143104 -2.324139 0.000000 0
M  V30 4 C -1.428736 -1.911495 0.000000 0
M  V30 5 C -1.428736 -1.086495 0.000000 0
M  V30 6 C -2.143104 -0.674138 0.000000 0
M  V30 7 C -0.714081 -2.324139 0.000000 0
M  V30 8 C 0.000287 -1.911495 0.000000 0
M  V30 9 C 0.000287 -1.086495 0.000000 0
M  V30 10 C -0.714081 -0.674138 0.000000 0
M  V30 11 C 0.714655 -0.674138 0.000000 0
M  V30 12 C 0.714655 0.150862 0.000000 0
M  V30 13 C 0.000287 0.563506 0.000000 0
M  V30 14 C -0.714081 0.150862 0.000000 0
M  V30 15 C 1.429024 -1.086495 0.000000 0
M  V30 16 C 2.143679 -0.674138 0.000000 0
M  V30 17 C 2.143679 0.150862 0.000000 0
M  V30 18 C 1.429024 0.563506 0.000000 0
M  V30 19 C -2.555748 -3.038507 0.000000 0
M  V30 20 C -1.730747 -3.038507 0.000000 0
M  V30 21 C -1.428736 -0.261494 0.000000 0
M  V30 22 C 0.000287 -0.261494 0.000000 0
M  V30 23 C 0.714655 -1.499139 0.000000 0
M  V30 24 O -3.572415 -2.324139 0.000000 0
M  V30 25 C 2.858047 0.563506 0.000000 0
M  V30 26 C 2.858047 1.388506 0.000000 0
M  V30 27 C 2.143679 1.800863 0.000000 0
M  V30 28 C 1.429024 1.388506 0.000000 0
M  V30 29 C 1.731035 2.515518 0.000000 0
M  V30 30 C 2.556035 2.515518 0.000000 0
M  V30 31 O 0.714655 1.800863 0.000000 0
M  V30 32 C 0.000287 2.213507 0.000000 0
M  V30 33 O 0.000287 3.038507 0.000000 0
M  V30 34 C -0.714081 1.800863 0.000000 0
M  V30 35 F -0.714081 0.975862 0.000000 0
M  V30 36 F -1.428736 1.388506 0.000000 0
M  V30 37 F -1.428736 2.213507 0.000000 0
M  V30 38 H 1.429024 -0.261494 0.000000 0
M  V30 39 H -1.428736 -2.736495 0.000000 0
M  V30 40 H -0.714081 -1.499139 0.000000 0
M  V30 41 H 0.714655 0.975862 0.000000 0
M  V30 42 C 2.858047 -0.261494 0.000000 0
M  V30 43 O 3.572415 0.150862 0.000000 0
M  V30 44 O 2.858047 -1.086495 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 42 43
M  V30 2 1 42 44
M  V30 3 1 17 42 CFG=1
M  V30 4 1 1 2
M  V30 5 1 2 3
M  V30 6 1 3 4
M  V30 7 1 4 5
M  V30 8 1 5 6
M  V30 9 1 6 1
M  V30 10 1 4 7
M  V30 11 1 7 8
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 10 5
M  V30 15 1 9 11
M  V30 16 1 11 12
M  V30 17 1 12 13
M  V30 18 1 13 14
M  V30 19 1 14 10
M  V30 20 1 11 15
M  V30 21 1 15 16
M  V30 22 1 16 17
M  V30 23 1 17 18
M  V30 24 1 18 12
M  V30 25 1 3 19 CFG=1
M  V30 26 1 3 20 CFG=3
M  V30 27 1 5 21 CFG=1
M  V30 28 1 9 22 CFG=1
M  V30 29 1 11 23 CFG=3
M  V30 30 2 2 24
M  V30 31 1 17 25
M  V30 32 1 25 26
M  V30 33 1 26 27
M  V30 34 1 27 28
M  V30 35 1 28 18
M  V30 36 1 27 29 CFG=1
M  V30 37 1 27 30 CFG=3
M  V30 38 1 28 31 CFG=1
M  V30 39 1 31 32
M  V30 40 2 32 33
M  V30 41 1 32 34
M  V30 42 1 34 35
M  V30 43 1 34 36
M  V30 44 1 34 37
M  V30 45 1 18 38 CFG=3
M  V30 46 1 4 39 CFG=3
M  V30 47 1 10 40 CFG=3
M  V30 48 1 12 41 CFG=1
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 42 43 44) XBONDS=(1 3) LABEL=COOH CSTATE=(4 3 -
M  V30 -0.714368 0.412356 0)
M  V30 END SGROUP
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(11 3 4 5 9 10 11 12 17 18 27 28)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1222-s002-mod

>  <DOI>
10.3390/M1222

$$$$

File : molbank-2021-M1221-s002.mol

 19 22  0  0  0  0  0  0  0  0999 V2000
    0.3881    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3881   -0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025   -0.8803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170   -0.4678    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170    0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025    0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5315   -0.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3565   -0.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025    1.5947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966    0.6122    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815   -0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -0.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7065   -0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190    0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440    0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3565   -0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9  7  1  0
  6 10  2  0
  1 11  1  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
>  <MOL_ID>
molbank-2021-M1221-s002

>  <DOI>
10.3390/M1221

$$$$

File : molbank-2021-M1221-s002-mod.mol

 19 22  0  0  0  0  0  0  0  0999 V2000
    1.2108    2.0621    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583    1.4715   -0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5655    0.0740   -0.3595 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430   -0.7127    0.1078 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163    1.3490    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4644   -2.1744    0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1754   -2.8720    1.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810   -3.3065   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0761    1.9493    0.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4052    3.7960    0.1994 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    3.6609    0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5055    2.3617   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982    4.7938    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    6.0916    0.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116    7.1444    0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8709    6.9161    0.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3484    5.6322    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4711    4.5697    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9  7  1  0
  6 10  2  0
  1 11  1  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
>  <MOL_ID>
molbank-2021-M1221-s002-mod

>  <DOI>
10.3390/M1221

$$$$

File : molbank-2021-M1220-s002.mol

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4995    0.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4995   -0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850   -0.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705   -0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7850    0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561   -0.9213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584   -0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584    0.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3561    0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705   -0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0597    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166    1.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642    0.8629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7821   -0.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4943   -0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4943   -1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088   -2.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232   -1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9232   -0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088   -0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9232    0.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2116    0.7271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7346    1.3390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4817    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6578    2.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0
 22 23  1  0
 14 24  1  0
 24 25  1  0
 24 26  1  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  8 11  1  1
 10 12  1  6
 10 13  1  1
 13 14  2  0
 11 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1   1
M  SMT   1 H3C^O
M  SBV   1   1    0.7122   -0.4108
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  24  25  26
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M  END
>  <MOL_ID>
molbank-2021-M1220-s002

>  <DOI>
10.3390/M1220

$$$$

File : molbank-2021-M1220-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1220-s002-mod

>  <DOI>
10.3390/M1220

$$$$

File : molbank-2021-M1219-s006.mol

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M  END
>  <MOL_ID>
molbank-2021-M1219-s006

>  <DOI>
10.3390/M1219

$$$$

File : molbank-2021-M1219-s006-mod.mol

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>  <MOL_ID>
molbank-2021-M1219-s006-mod

>  <DOI>
10.3390/M1219

$$$$

File : molbank-2021-M1219-s005.mol

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>  <MOL_ID>
molbank-2021-M1219-s005

>  <DOI>
10.3390/M1219

$$$$

File : molbank-2021-M1219-s005-mod.mol

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>  <MOL_ID>
molbank-2021-M1219-s005-mod

>  <DOI>
10.3390/M1219

$$$$

File : molbank-2021-M1219-s004.mol

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>  <MOL_ID>
molbank-2021-M1219-s004

>  <DOI>
10.3390/M1219

$$$$

File : molbank-2021-M1219-s004-mod.mol

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>  <MOL_ID>
molbank-2021-M1219-s004-mod

>  <DOI>
10.3390/M1219

$$$$

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>  <MOL_ID>
molbank-2021-M1219-s003

>  <DOI>
10.3390/M1219

$$$$

File : molbank-2021-M1219-s003-mod.mol

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 29 30  3  0
 13 29  1  0
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  2  3  1  0
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  1  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
  4 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  5  1  0
  6 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 17 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 18  1  0
 20 25  2  0
 16 26  1  0
 14 27  1  0
 12 28  1  0
 36 37  1  0
 35 36  1  0
 34 37  1  0
 33 34  1  0
 32 37  1  0
 31 32  1  0
M  CHG  2  26  -1  37   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1   2
M  SMT   1 CN
M  SBV   1   2   -0.7120   -0.4111
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  7  31  32  33  34  35  36  37
M  SMT   2 Et\s3\nNH
M  END
>  <MOL_ID>
molbank-2021-M1219-s003-mod

>  <DOI>
10.3390/M1219

$$$$

File : molbank-2021-M1219-s002.mol

 35 38  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
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 15 16  2  0
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 14 27  1  0
 12 28  1  0
 34 35  1  0
 33 34  1  0
 32 35  1  0
 31 32  1  0
M  CHG  2  26  -1  35   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1   2
M  SMT   1 CN
M  SBV   1   2   -0.7120   -0.4111
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  5  31  32  33  34  35
M  SMT   2 Et\s2\nNHH
M  END
>  <MOL_ID>
molbank-2021-M1219-s002

>  <DOI>
10.3390/M1219

$$$$

File : molbank-2021-M1219-s002-mod.mol

 35 38  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
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 15 16  2  0
 16 17  1  0
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 22 23  1  0
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 24 18  1  0
 20 25  2  0
 16 26  1  0
 14 27  1  0
 12 28  1  0
 34 35  1  0
 33 34  1  0
 32 35  1  0
 31 32  1  0
M  CHG  2  26  -1  35   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1   2
M  SMT   1 CN
M  SBV   1   2   -0.7120   -0.4111
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  5  31  32  33  34  35
M  SMT   2 Et\s2\nNHH
M  END
>  <MOL_ID>
molbank-2021-M1219-s002-mod

>  <DOI>
10.3390/M1219

$$$$

File : molbank-2021-M1218-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 1 0 0
M  V30 BEGIN ATOM
M  V30 1 N -0.161865 -0.037566 0.000000 0
M  V30 2 C -0.161865 -0.862566 0.000000 0
M  V30 3 C 0.622756 -1.117504 0.000000 0
M  V30 4 N 1.107680 -0.450066 0.000000 0
M  V30 5 C 0.622756 0.217373 0.000000 0
M  V30 6 O -0.829304 -1.347488 0.000000 0
M  V30 7 O 0.877696 -1.902126 0.000000 0
M  V30 8 C -0.829304 0.447357 0.000000 0
M  V30 9 O 0.877696 1.001996 0.000000 0
M  V30 10 C 1.932680 -0.450066 0.000000 0
M  V30 11 C -0.743068 1.267838 0.000000 0
M  V30 12 C -1.410507 1.752761 0.000000 0
M  V30 13 C -2.164181 1.417203 0.000000 0
M  V30 14 C -2.250418 0.596723 0.000000 0
M  V30 15 C -1.582979 0.111799 0.000000 0
M  V30 16 C 2.345180 -1.164536 0.000000 0
M  V30 17 C 3.170180 -1.164536 0.000000 0
M  V30 18 C 3.582680 -0.450066 0.000000 0
M  V30 19 C 3.170180 0.264405 0.000000 0
M  V30 20 C 2.345180 0.264405 0.000000 0
M  V30 21 C -0.896945 -0.488024 0.000000 0
M  V30 22 C -1.582979 -1.011929 0.000000 0
M  V30 23 C -2.250418 -1.496852 0.000000 0
M  V30 24 O -2.831621 1.902126 0.000000 0
M  V30 25 C -3.582680 1.567735 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 24 25
M  V30 2 1 13 24
M  V30 3 1 1 2
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 4 5
M  V30 7 1 5 1
M  V30 8 1 2 6
M  V30 9 2 3 7
M  V30 10 1 1 8
M  V30 11 2 5 9
M  V30 12 1 4 10
M  V30 13 2 8 11
M  V30 14 1 11 12
M  V30 15 2 12 13
M  V30 16 1 13 14
M  V30 17 2 14 15
M  V30 18 1 15 8
M  V30 19 2 10 16
M  V30 20 1 16 17
M  V30 21 2 17 18
M  V30 22 1 18 19
M  V30 23 2 19 20
M  V30 24 1 20 10
M  V30 25 1 2 21
M  V30 26 1 6 22
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 24 25) XBONDS=(1 2) LABEL=OCH3 CSTATE=(4 2 0.667439 -
M  V30 -0.484923 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1218-s002

>  <DOI>
10.3390/M1218

$$$$

File : molbank-2021-M1218-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 1 0 0
M  V30 BEGIN ATOM
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M  V30 2 C -0.161865 -0.862566 0.000000 0
M  V30 3 C 0.622756 -1.117504 0.000000 0
M  V30 4 N 1.107680 -0.450066 0.000000 0
M  V30 5 C 0.622756 0.217373 0.000000 0
M  V30 6 O -0.829304 -1.347488 0.000000 0
M  V30 7 O 0.877696 -1.902126 0.000000 0
M  V30 8 C -0.829304 0.447357 0.000000 0
M  V30 9 O 0.877696 1.001996 0.000000 0
M  V30 10 C 1.932680 -0.450066 0.000000 0
M  V30 11 C -0.743068 1.267838 0.000000 0
M  V30 12 C -1.410507 1.752761 0.000000 0
M  V30 13 C -2.164181 1.417203 0.000000 0
M  V30 14 C -2.250418 0.596723 0.000000 0
M  V30 15 C -1.582979 0.111799 0.000000 0
M  V30 16 C 2.345180 -1.164536 0.000000 0
M  V30 17 C 3.170180 -1.164536 0.000000 0
M  V30 18 C 3.582680 -0.450066 0.000000 0
M  V30 19 C 3.170180 0.264405 0.000000 0
M  V30 20 C 2.345180 0.264405 0.000000 0
M  V30 21 C -0.896945 -0.488024 0.000000 0
M  V30 22 C -1.582979 -1.011929 0.000000 0
M  V30 23 C -2.250418 -1.496852 0.000000 0
M  V30 24 O -2.831621 1.902126 0.000000 0
M  V30 25 C -3.582680 1.567735 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 24 25
M  V30 2 1 13 24
M  V30 3 1 1 2
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 4 5
M  V30 7 1 5 1
M  V30 8 1 2 6
M  V30 9 2 3 7
M  V30 10 1 1 8
M  V30 11 2 5 9
M  V30 12 1 4 10
M  V30 13 2 8 11
M  V30 14 1 11 12
M  V30 15 2 12 13
M  V30 16 1 13 14
M  V30 17 2 14 15
M  V30 18 1 15 8
M  V30 19 2 10 16
M  V30 20 1 16 17
M  V30 21 2 17 18
M  V30 22 1 18 19
M  V30 23 2 19 20
M  V30 24 1 20 10
M  V30 25 1 2 21
M  V30 26 1 6 22
M  V30 27 1 22 23
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 24 25) XBONDS=(1 2) LABEL=OCH3 CSTATE=(4 2 0.667439 -
M  V30 -0.484923 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1218-s002-mod

>  <DOI>
10.3390/M1218

$$$$

File : molbank-2021-M1217-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1217-s002

>  <DOI>
10.3390/M1217

$$$$

File : molbank-2021-M1217-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1217-s002-mod

>  <DOI>
10.3390/M1217

$$$$

File : molbank-2021-M1216-s002.mol

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>  <MOL_ID>
molbank-2021-M1216-s002

>  <DOI>
10.3390/M1216

$$$$

File : molbank-2021-M1216-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1216-s002-mod

>  <DOI>
10.3390/M1216

$$$$

File : molbank-2021-M1215-s002.mol

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>  <MOL_ID>
molbank-2021-M1215-s002

>  <DOI>
10.3390/M1215

$$$$

File : molbank-2021-M1215-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1215-s002-mod

>  <DOI>
10.3390/M1215

$$$$

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>  <MOL_ID>
molbank-2021-M1213-s003

>  <DOI>
10.3390/M1213

$$$$

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>  <MOL_ID>
molbank-2021-M1213-s003-mod

>  <DOI>
10.3390/M1213

$$$$

File : molbank-2021-M1213-s002.mol

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>  <MOL_ID>
molbank-2021-M1213-s002

>  <DOI>
10.3390/M1213

$$$$

File : molbank-2021-M1213-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1213-s002-mod

>  <DOI>
10.3390/M1213

$$$$

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>  <MOL_ID>
molbank-2021-M1212-s002

>  <DOI>
10.3390/M1212

$$$$

File : molbank-2021-M1212-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1212-s002-mod

>  <DOI>
10.3390/M1212

$$$$

File : molbank-2021-M1211-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 36 40 2 0 0
M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 35) XBONDS=(1 1) LABEL="^Me" CSTATE=(4 1 0.187319 -
M  V30 -0.803454 0)
M  V30 2 SUP 2 ATOMS=(1 36) XBONDS=(1 2) LABEL="^Me" CSTATE=(4 2 0.822014 -
M  V30 -0.070129 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1211-s002

>  <DOI>
10.3390/M1211

$$$$

File : molbank-2021-M1211-s002-mod.mol

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M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 20 2 16 17
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M  V30 22 1 18 14
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M  V30 24 1 19 20
M  V30 25 1 20 21
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M  V30 28 1 23 24
M  V30 29 1 24 25
M  V30 30 1 25 26
M  V30 31 2 26 27
M  V30 32 1 27 32
M  V30 33 2 32 24
M  V30 34 1 26 28
M  V30 35 1 28 29
M  V30 36 1 29 30
M  V30 37 1 30 31
M  V30 38 1 31 27
M  V30 39 1 32 33
M  V30 40 3 33 34
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 35) XBONDS=(1 1) LABEL="^Me" CSTATE=(4 1 0.187319 -
M  V30 -0.803454 0)
M  V30 2 SUP 2 ATOMS=(1 36) XBONDS=(1 2) LABEL="^Me" CSTATE=(4 2 0.822014 -
M  V30 -0.070129 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1211-s002-mod

>  <DOI>
10.3390/M1211

$$$$

File : molbank-2021-M1210-s017.mol

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M  SMT   2 OCH3
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M  END
>  <MOL_ID>
molbank-2021-M1210-s017

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s017-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s017-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s016.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s016

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s016-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s016-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s015.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s015

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s015-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s015-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s014.mol

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>  <MOL_ID>
molbank-2021-M1210-s014

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s014-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s014-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s013.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s013

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s013-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s013-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s012.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s012

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s012-mod.mol

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>  <MOL_ID>
molbank-2021-M1210-s012-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s011.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s011

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s011-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s011-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s010.mol

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M  END
>  <MOL_ID>
molbank-2021-M1210-s010

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s010-mod.mol

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>  <MOL_ID>
molbank-2021-M1210-s010-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s009.mol

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>  <MOL_ID>
molbank-2021-M1210-s009

>  <DOI>
10.3390/M1210

$$$$

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>  <MOL_ID>
molbank-2021-M1210-s009-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s008.mol

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>  <MOL_ID>
molbank-2021-M1210-s008

>  <DOI>
10.3390/M1210

$$$$

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>  <MOL_ID>
molbank-2021-M1210-s008-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s007.mol

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>  <MOL_ID>
molbank-2021-M1210-s007

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s007-mod.mol

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>  <MOL_ID>
molbank-2021-M1210-s007-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s006.mol

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>  <MOL_ID>
molbank-2021-M1210-s006

>  <DOI>
10.3390/M1210

$$$$

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>  <MOL_ID>
molbank-2021-M1210-s006-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s005.mol

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>  <MOL_ID>
molbank-2021-M1210-s005

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s005-mod.mol

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>  <MOL_ID>
molbank-2021-M1210-s005-mod

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s004.mol

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>  <MOL_ID>
molbank-2021-M1210-s004

>  <DOI>
10.3390/M1210

$$$$

File : molbank-2021-M1210-s004-mod.mol

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>  <MOL_ID>
molbank-2021-M1210-s004-mod

>  <DOI>
10.3390/M1210

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M1210

$$$$

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>  <MOL_ID>
molbank-2021-M1210-s003-mod

>  <DOI>
10.3390/M1210

$$$$

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>  <MOL_ID>
molbank-2021-M1210-s002

>  <DOI>
10.3390/M1210

$$$$

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>  <MOL_ID>
molbank-2021-M1210-s002-mod

>  <DOI>
10.3390/M1210

$$$$

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>  <MOL_ID>
molbank-2021-M1209-s003

>  <DOI>
10.3390/M1209

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M1209

$$$$

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>  <MOL_ID>
molbank-2021-M1209-s002

>  <DOI>
10.3390/M1209

$$$$

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M  END
>  <MOL_ID>
molbank-2021-M1209-s002-mod

>  <DOI>
10.3390/M1209

$$$$

File : molbank-2021-M1207-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 1 0 0
M  V30 BEGIN ATOM
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M  V30 2 N -1.211066 -0.636814 0.000000 0
M  V30 3 C -0.414177 -0.850340 0.000000 0
M  V30 4 C -0.200651 -0.053451 0.000000 0
M  V30 5 C -1.925537 -1.049314 0.000000 0
M  V30 6 C 0.513819 0.359049 0.000000 0
M  V30 7 N 1.267495 0.023491 0.000000 0
M  V30 8 C 1.819527 0.636585 0.000000 0
M  V30 9 Se 1.407027 1.351057 0.000000 0
M  V30 10 C 0.600056 1.179530 0.000000 0
M  V30 11 N 2.640008 0.550350 0.000000 0
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M  V30 18 C -0.496595 -2.699314 0.000000 0
M  V30 19 C -0.496595 -1.874314 0.000000 0
M  V30 20 O 0.200487 2.528451 0.000000 0
M  V30 21 C -0.382876 3.111814 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 20 21
M  V30 2 1 12 20
M  V30 3 1 1 2
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 4 1
M  V30 7 1 2 5
M  V30 8 1 4 6
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 8 9
M  V30 12 1 9 10
M  V30 13 2 10 6
M  V30 14 1 8 11
M  V30 15 1 10 12
M  V30 16 2 12 13
M  V30 17 2 5 14
M  V30 18 1 5 15
M  V30 19 1 15 16
M  V30 20 1 16 17
M  V30 21 1 16 18
M  V30 22 1 16 19
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 20 21) XBONDS=(1 2) LABEL=OCH3 CSTATE=(4 2 -0.213526 -
M  V30 -0.796889 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1207-s002

>  <DOI>
10.3390/M1207

$$$$

File : molbank-2021-M1207-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 1 0 0
M  V30 BEGIN ATOM
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M  V30 20 O 0.200487 2.528451 0.000000 0
M  V30 21 C -0.382876 3.111814 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 20 21
M  V30 2 1 12 20
M  V30 3 1 1 2
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 4 1
M  V30 7 1 2 5
M  V30 8 1 4 6
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 8 9
M  V30 12 1 9 10
M  V30 13 2 10 6
M  V30 14 1 8 11
M  V30 15 1 10 12
M  V30 16 2 12 13
M  V30 17 2 5 14
M  V30 18 1 5 15
M  V30 19 1 15 16
M  V30 20 1 16 17
M  V30 21 1 16 18
M  V30 22 1 16 19
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 20 21) XBONDS=(1 2) LABEL=OCH3 CSTATE=(4 2 -0.213526 -
M  V30 -0.796889 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2021-M1207-s002-mod

>  <DOI>
10.3390/M1207

$$$$

File : molbank-2021-M1206-s012.mol

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>  <MOL_ID>
molbank-2021-M1206-s012

>  <DOI>
10.3390/M1206

$$$$

File : molbank-2021-M1206-s012-mod.mol

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>  <MOL_ID>
molbank-2021-M1206-s012-mod

>  <DOI>
10.3390/M1206

$$$$

File : molbank-2021-M1206-s011.mol

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>  <MOL_ID>
molbank-2021-M1206-s011

>  <DOI>
10.3390/M1206

$$$$

File : molbank-2021-M1206-s011-mod.mol

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>  <MOL_ID>
molbank-2021-M1206-s011-mod

>  <DOI>
10.3390/M1206

$$$$

File : molbank-2021-M1206-s010.mol

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>  <MOL_ID>
molbank-2021-M1206-s010

>  <DOI>
10.3390/M1206

$$$$

File : molbank-2021-M1206-s010-mod.mol

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>  <MOL_ID>
molbank-2021-M1206-s010-mod

>  <DOI>
10.3390/M1206

$$$$

File : molbank-2021-M1206-s009.mol

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>  <DOI>
10.3390/M1206

$$$$

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molbank-2021-M1206-s009-mod

>  <DOI>
10.3390/M1206

$$$$

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molbank-2021-M1206-s008

>  <DOI>
10.3390/M1206

$$$$

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molbank-2021-M1206-s008-mod

>  <DOI>
10.3390/M1206

$$$$

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molbank-2021-M1206-s007

>  <DOI>
10.3390/M1206

$$$$

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molbank-2021-M1206-s007-mod

>  <DOI>
10.3390/M1206

$$$$

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molbank-2021-M1206-s006

>  <DOI>
10.3390/M1206

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molbank-2021-M1206-s006-mod

>  <DOI>
10.3390/M1206

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molbank-2021-M1206-s005

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10.3390/M1206

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molbank-2021-M1206-s005-mod

>  <DOI>
10.3390/M1206

$$$$

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>  <DOI>
10.3390/M1206

$$$$

File : molbank-2021-M1206-s004-mod.mol

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>  <MOL_ID>
molbank-2021-M1206-s004-mod

>  <DOI>
10.3390/M1206

$$$$

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>  <MOL_ID>
molbank-2021-M1206-s003

>  <DOI>
10.3390/M1206

$$$$

File : molbank-2021-M1206-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1206-s003-mod

>  <DOI>
10.3390/M1206

$$$$

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>  <MOL_ID>
molbank-2021-M1206-s002

>  <DOI>
10.3390/M1206

$$$$

File : molbank-2021-M1206-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1206-s002-mod

>  <DOI>
10.3390/M1206

$$$$

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>  <MOL_ID>
molbank-2021-M1205-s002

>  <DOI>
10.3390/M1205

$$$$

File : molbank-2021-M1205-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1205-s002-mod

>  <DOI>
10.3390/M1205

$$$$

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>  <MOL_ID>
molbank-2021-M1204-s007

>  <DOI>
10.3390/M1204

$$$$

File : molbank-2021-M1204-s007-mod.mol

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>  <MOL_ID>
molbank-2021-M1204-s007-mod

>  <DOI>
10.3390/M1204

$$$$

File : molbank-2021-M1204-s006.mol

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>  <MOL_ID>
molbank-2021-M1204-s006

>  <DOI>
10.3390/M1204

$$$$

File : molbank-2021-M1204-s006-mod.mol

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>  <MOL_ID>
molbank-2021-M1204-s006-mod

>  <DOI>
10.3390/M1204

$$$$

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>  <MOL_ID>
molbank-2021-M1204-s005

>  <DOI>
10.3390/M1204

$$$$

File : molbank-2021-M1204-s005-mod.mol

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>  <MOL_ID>
molbank-2021-M1204-s005-mod

>  <DOI>
10.3390/M1204

$$$$

File : molbank-2021-M1204-s004.mol

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>  <MOL_ID>
molbank-2021-M1204-s004

>  <DOI>
10.3390/M1204

$$$$

File : molbank-2021-M1204-s004-mod.mol

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>  <MOL_ID>
molbank-2021-M1204-s004-mod

>  <DOI>
10.3390/M1204

$$$$

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>  <MOL_ID>
molbank-2021-M1204-s003

>  <DOI>
10.3390/M1204

$$$$

File : molbank-2021-M1204-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1204-s003-mod

>  <DOI>
10.3390/M1204

$$$$

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>  <MOL_ID>
molbank-2021-M1204-s002

>  <DOI>
10.3390/M1204

$$$$

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>  <MOL_ID>
molbank-2021-M1204-s002-mod

>  <DOI>
10.3390/M1204

$$$$

File : molbank-2021-M1203-s002.mol

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>  <MOL_ID>
molbank-2021-M1203-s002

>  <DOI>
10.3390/M1203

$$$$

File : molbank-2021-M1203-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1203-s002-mod

>  <DOI>
10.3390/M1203

$$$$

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>  <MOL_ID>
molbank-2021-M1202-s004

>  <DOI>
10.3390/M1202

$$$$

File : molbank-2021-M1202-s004-mod.mol

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  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
M  END
>  <MOL_ID>
molbank-2021-M1202-s004-mod

>  <DOI>
10.3390/M1202

$$$$

File : molbank-2021-M1202-s003.mol

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.4116    1.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134   -0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2384   -0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    1.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -0.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -1.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944   -0.8637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.6323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6367    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389    1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0639    1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.6323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0639   -0.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389   -0.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  2 10  1  0
  5 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 10  1  0
M  END
>  <MOL_ID>
molbank-2021-M1202-s003

>  <DOI>
10.3390/M1202

$$$$

File : molbank-2021-M1202-s003-mod.mol

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    1.2850   -2.6118   -0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7526   -1.8655   -1.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1976   -2.5131   -2.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2225   -3.9205   -2.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7616   -4.6534   -1.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2919   -3.9991   -0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -2.0383   -3.4812 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8056   -2.8415   -4.3685 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5378   -4.3248   -3.9416 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7564   -0.4723   -1.1697 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702   -6.5431   -1.4282 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0187    1.5267    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    2.0168    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882    1.5806   -1.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    0.0503   -1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  2 10  1  0
  5 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 10  1  0
M  END
>  <MOL_ID>
molbank-2021-M1202-s003-mod

>  <DOI>
10.3390/M1202

$$$$

File : molbank-2021-M1202-s002.mol

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   -0.4134    1.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116   -0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134   -0.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4116    1.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6655   -0.8655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026   -1.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6694   -0.8637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.6323    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6367    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  2 10  1  0
  5 11  1  0
M  END
>  <MOL_ID>
molbank-2021-M1202-s002

>  <DOI>
10.3390/M1202

$$$$

File : molbank-2021-M1202-s002-mod.mol

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.1512    2.1055    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170    1.4041    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556   -0.6471   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    0.0795   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3802    1.4580   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9806   -0.9126    0.0066 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7004   -2.1529   -0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8515   -2.3652   -0.0188 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689    2.3243    0.0226 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1024   -0.8099   -0.0410 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  2 10  1  0
  5 11  1  0
M  END
>  <MOL_ID>
molbank-2021-M1202-s002-mod

>  <DOI>
10.3390/M1202

$$$$

File : molbank-2021-M1201-s002.mol

 27 27  0     0  0  0  0  0  0999 V2000
   -2.1076   -0.0513    0.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519   -2.7078   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755    1.7977   -0.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0728   -0.9266   -0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5147    2.1730    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3307   -0.9616    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4933    0.3082    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1656    0.4814    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2312    1.3814    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4121   -0.8915    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2026    0.9748    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7244   -1.3644    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434    0.9085   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8180   -0.6573   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7900   -0.4644   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0668   -1.5771   -0.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0830   -1.5640    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7091    0.9027   -0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7113    0.9067    0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464    2.4531    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3909   -1.6240    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0921   -0.0893   -0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3954   -1.5871   -0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1091   -0.0747    0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137   -2.8550   -0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2163    2.7015   -0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745   -0.1620   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 25  1  0  0  0  0
  3 13  1  0  0  0  0
  3 26  1  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4947
> <PUBCHEM_CONFORMER_RMSD>
0.6
> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
12
21
18
5
13
20
19
11
6
7
9
2
8
3
17
4
10
16
22
15
14
> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
18
1 -0.43
10 -0.15
11 0.63
12 0.08
13 0.08
15 0.08
2 -0.53
20 0.15
21 0.15
25 0.45
26 0.45
27 0.45
3 -0.53
4 -0.53
5 -0.57
7 0.28
8 0.09
9 -0.15
> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4
> <PUBCHEM_PHARMACOPHORE_FEATURES>
6
1 14 hydrophobe
1 2 donor
1 3 donor
1 4 donor
1 5 acceptor
6 8 9 10 12 13 15 rings
> <PUBCHEM_HEAVY_ATOM_COUNT>
15
> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
> <PUBCHEM_BOND_DEF_STEREO_COUNT>
> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
> <PUBCHEM_COMPONENT_COUNT>
1
> <PUBCHEM_CACTVS_TAUTO_COUNT>
14
> <PUBCHEM_CONFORMER_ID>
0000135300000001
> <PUBCHEM_MMFF94_ENERGY>
31.5174
> <PUBCHEM_FEATURE_SELFOVERLAP>
30.455
> <PUBCHEM_SHAPE_FINGERPRINT>
11471102 20 18410009970241397245
11806522 49 18336265660899837886
12032990 46 18412266099244934356
13862211 1 18336828577216688098
14178342 30 18052527781990356690
14251717 144 18411136948211567299
14252887 29 17775574112857025558
15196674 1 18410573976841396705
15375358 24 18114463452693533723
15375462 189 18059849580438861103
15477762 27 18410013200083307518
16945 1 18338797802246025120
17834072 33 18272650186487042487
200 152 18343580733561231321
20279233 1 17895198826633950899
20281475 54 18341051813899322161
20645477 70 18411698773157993823
21267235 1 18411990143333159383
21501502 16 18266183841917626121
21501925 9 18337382756266018826
221490 88 18337395941552165538
22485316 2 18412261762055894175
22959321 4 18409729534456790155
23402539 116 18114456782261130725
23402655 69 18412260645169270525
23557571 272 17313097523935178341
23559900 14 18194673778879271875
25610 137 18411138047865730325
2748010 2 17691398621434704174
2871803 45 18334574629364986135
33824 294 18408603677663540755
42630746 31 18341893026146424300
5104073 3 18411136909667742793
581208 293 18410572907114737888
602551 16 15194712562822825119
8809292 202 18187370955923737835
9709674 26 18336834100011718443
> <PUBCHEM_SHAPE_MULTIPOLES>
279.35
8.95
2.04
0.58
11.84
0.3
2.13
-0.03
-1.43
0.04
> <PUBCHEM_SHAPE_SELFOVERLAP>
579.019
> <PUBCHEM_SHAPE_VOLUME>
160.2
> <PUBCHEM_COORDINATE_TYPE>
2
5
10
>  <MOL_ID>
molbank-2021-M1201-s002

>  <DOI>
10.3390/M1201

$$$$

File : molbank-2021-M1201-s002-mod.mol

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    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1854    2.1060    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032    2.1147    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893    1.4275   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089   -0.6774   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8122    6.3017    0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4052    0.0351   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8829    5.9192    0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8913    5.9289   -0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794    3.8100   -0.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1710    3.8004    0.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9255   -0.5572    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736    3.1860    0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3613    5.9970    0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    7.3840    0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3697    6.0067   -0.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8896    2.3255   -0.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254   -2.4255   -0.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9251   -0.8174   -0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 25  1  0  0  0  0
  3 13  1  0  0  0  0
  3 26  1  0  0  0  0
  4 15  1  0  0  0  0
  4 27  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4947
> <PUBCHEM_CONFORMER_RMSD>
0.6
> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
12
21
18
5
13
20
19
11
6
7
9
2
8
3
17
4
10
16
22
15
14
> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
18
1 -0.43
10 -0.15
11 0.63
12 0.08
13 0.08
15 0.08
2 -0.53
20 0.15
21 0.15
25 0.45
26 0.45
27 0.45
3 -0.53
4 -0.53
5 -0.57
7 0.28
8 0.09
9 -0.15
> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4
> <PUBCHEM_PHARMACOPHORE_FEATURES>
6
1 14 hydrophobe
1 2 donor
1 3 donor
1 4 donor
1 5 acceptor
6 8 9 10 12 13 15 rings
> <PUBCHEM_HEAVY_ATOM_COUNT>
15
> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
> <PUBCHEM_BOND_DEF_STEREO_COUNT>
> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
> <PUBCHEM_COMPONENT_COUNT>
1
> <PUBCHEM_CACTVS_TAUTO_COUNT>
14
> <PUBCHEM_CONFORMER_ID>
0000135300000001
> <PUBCHEM_MMFF94_ENERGY>
31.5174
> <PUBCHEM_FEATURE_SELFOVERLAP>
30.455
> <PUBCHEM_SHAPE_FINGERPRINT>
11471102 20 18410009970241397245
11806522 49 18336265660899837886
12032990 46 18412266099244934356
13862211 1 18336828577216688098
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16945 1 18338797802246025120
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200 152 18343580733561231321
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20645477 70 18411698773157993823
21267235 1 18411990143333159383
21501502 16 18266183841917626121
21501925 9 18337382756266018826
221490 88 18337395941552165538
22485316 2 18412261762055894175
22959321 4 18409729534456790155
23402539 116 18114456782261130725
23402655 69 18412260645169270525
23557571 272 17313097523935178341
23559900 14 18194673778879271875
25610 137 18411138047865730325
2748010 2 17691398621434704174
2871803 45 18334574629364986135
33824 294 18408603677663540755
42630746 31 18341893026146424300
5104073 3 18411136909667742793
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602551 16 15194712562822825119
8809292 202 18187370955923737835
9709674 26 18336834100011718443
> <PUBCHEM_SHAPE_MULTIPOLES>
279.35
8.95
2.04
0.58
11.84
0.3
2.13
-0.03
-1.43
0.04
> <PUBCHEM_SHAPE_SELFOVERLAP>
579.019
> <PUBCHEM_SHAPE_VOLUME>
160.2
> <PUBCHEM_COORDINATE_TYPE>
2
5
10
>  <MOL_ID>
molbank-2021-M1201-s002-mod

>  <DOI>
10.3390/M1201

$$$$

File : molbank-2021-M1200-s002.mol

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M  END
>  <MOL_ID>
molbank-2021-M1200-s002

>  <DOI>
10.3390/M1200

$$$$

File : molbank-2021-M1200-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1200-s002-mod

>  <DOI>
10.3390/M1200

$$$$

File : molbank-2021-M1199-s002.mol

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>  <MOL_ID>
molbank-2021-M1199-s002

>  <DOI>
10.3390/M1199

$$$$

File : molbank-2021-M1199-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2021-M1199-s002-mod

>  <DOI>
10.3390/M1199

$$$$

File : molbank-2021-M1198-s002.mol

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>  <MOL_ID>
molbank-2021-M1198-s002

>  <DOI>
10.3390/M1198

$$$$

File : molbank-2021-M1198-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1198-s002-mod

>  <DOI>
10.3390/M1198

$$$$

File : molbank-2021-M1197-s002.mol

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>  <MOL_ID>
molbank-2021-M1197-s002

>  <DOI>
10.3390/M1197

$$$$

File : molbank-2021-M1197-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1197-s002-mod

>  <DOI>
10.3390/M1197

$$$$

File : molbank-2021-M1196-s002.mol

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>  <MOL_ID>
molbank-2021-M1196-s002

>  <DOI>
10.3390/M1196

$$$$

File : molbank-2021-M1196-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1196-s002-mod

>  <DOI>
10.3390/M1196

$$$$

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>  <MOL_ID>
molbank-2021-M1195-s002

>  <DOI>
10.3390/M1195

$$$$

File : molbank-2021-M1195-s002-mod.mol

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>  <DOI>
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>  <DOI>
10.3390/M1194

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>  <DOI>
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>  <DOI>
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>  <MOL_ID>
molbank-2021-M1194-s008-mod

>  <DOI>
10.3390/M1194

$$$$

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>  <DOI>
10.3390/M1194

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>  <DOI>
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>  <DOI>
10.3390/M1194

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>  <MOL_ID>
molbank-2021-M1194-s004-mod

>  <DOI>
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>  <MOL_ID>
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>  <DOI>
10.3390/M1194

$$$$

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>  <MOL_ID>
molbank-2021-M1194-s003-mod

>  <DOI>
10.3390/M1194

$$$$

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>  <MOL_ID>
molbank-2021-M1194-s002

>  <DOI>
10.3390/M1194

$$$$

File : molbank-2021-M1194-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1194-s002-mod

>  <DOI>
10.3390/M1194

$$$$

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>  <MOL_ID>
molbank-2021-M1193-s002

>  <DOI>
10.3390/M1193

$$$$

File : molbank-2021-M1193-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1193-s002-mod

>  <DOI>
10.3390/M1193

$$$$

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>  <MOL_ID>
molbank-2021-M1192-s002

>  <DOI>
10.3390/M1192

$$$$

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>  <MOL_ID>
molbank-2021-M1192-s002-mod

>  <DOI>
10.3390/M1192

$$$$

File : molbank-2021-M1191-s002.mol

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>  <MOL_ID>
molbank-2021-M1191-s002

>  <DOI>
10.3390/M1191

$$$$

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>  <MOL_ID>
molbank-2021-M1191-s002-mod

>  <DOI>
10.3390/M1191

$$$$

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>  <MOL_ID>
molbank-2021-M1190-s002

>  <DOI>
10.3390/M1190

$$$$

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>  <MOL_ID>
molbank-2021-M1190-s002-mod

>  <DOI>
10.3390/M1190

$$$$

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>  <MOL_ID>
molbank-2021-M1189-s004

>  <DOI>
10.3390/M1189

$$$$

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>  <MOL_ID>
molbank-2021-M1189-s004-mod

>  <DOI>
10.3390/M1189

$$$$

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>  <MOL_ID>
molbank-2021-M1189-s003

>  <DOI>
10.3390/M1189

$$$$

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>  <MOL_ID>
molbank-2021-M1189-s003-mod

>  <DOI>
10.3390/M1189

$$$$

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>  <MOL_ID>
molbank-2021-M1189-s002

>  <DOI>
10.3390/M1189

$$$$

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>  <MOL_ID>
molbank-2021-M1189-s002-mod

>  <DOI>
10.3390/M1189

$$$$

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10.3390/M1188

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10.3390/M1188

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10.3390/M1188

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molbank-2021-M1188-s006-mod

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>  <MOL_ID>
molbank-2021-M1188-s004-mod

>  <DOI>
10.3390/M1188

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M1188

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>  <MOL_ID>
molbank-2021-M1188-s003-mod

>  <DOI>
10.3390/M1188

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M1187

$$$$

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>  <MOL_ID>
molbank-2021-M1187-s002-mod

>  <DOI>
10.3390/M1187

$$$$

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>  <MOL_ID>
molbank-2021-M1186-s003

>  <DOI>
10.3390/M1186

$$$$

File : molbank-2021-M1186-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1186-s003-mod

>  <DOI>
10.3390/M1186

$$$$

File : molbank-2021-M1186-s002.mol

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>  <MOL_ID>
molbank-2021-M1186-s002

>  <DOI>
10.3390/M1186

$$$$

File : molbank-2021-M1186-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1186-s002-mod

>  <DOI>
10.3390/M1186

$$$$

File : molbank-2021-M1184-s002.mol

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>  <MOL_ID>
molbank-2021-M1184-s002

>  <DOI>
10.3390/M1184

$$$$

File : molbank-2021-M1184-s002-mod.mol

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molbank-2021-M1184-s002-mod

>  <DOI>
10.3390/M1184

$$$$

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>  <MOL_ID>
molbank-2021-M1183-s002

>  <DOI>
10.3390/M1183

$$$$

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>  <MOL_ID>
molbank-2021-M1183-s002-mod

>  <DOI>
10.3390/M1183

$$$$

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>  <MOL_ID>
molbank-2021-M1182-s002

>  <DOI>
10.3390/M1182

$$$$

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>  <MOL_ID>
molbank-2021-M1182-s002-mod

>  <DOI>
10.3390/M1182

$$$$

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>  <MOL_ID>
molbank-2021-M1181-s002

>  <DOI>
10.3390/M1181

$$$$

File : molbank-2021-M1181-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1181-s002-mod

>  <DOI>
10.3390/M1181

$$$$

File : molbank-2021-M1180-s002.mol

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>  <MOL_ID>
molbank-2021-M1180-s002

>  <DOI>
10.3390/M1180

$$$$

File : molbank-2021-M1180-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1180-s002-mod

>  <DOI>
10.3390/M1180

$$$$

File : molbank-2021-M1179-s003.mol

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>  <MOL_ID>
molbank-2021-M1179-s003

>  <DOI>
10.3390/M1179

$$$$

File : molbank-2021-M1179-s003-mod.mol

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>  <MOL_ID>
molbank-2021-M1179-s003-mod

>  <DOI>
10.3390/M1179

$$$$

File : molbank-2021-M1179-s002.mol

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>  <MOL_ID>
molbank-2021-M1179-s002

>  <DOI>
10.3390/M1179

$$$$

File : molbank-2021-M1179-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1179-s002-mod

>  <DOI>
10.3390/M1179

$$$$

File : molbank-2021-M1178-s002.mol

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>  <MOL_ID>
molbank-2021-M1178-s002

>  <DOI>
10.3390/M1178

$$$$

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>  <MOL_ID>
molbank-2021-M1178-s002-mod

>  <DOI>
10.3390/M1178

$$$$

File : molbank-2021-M1177-s002.mol

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>  <MOL_ID>
molbank-2021-M1177-s002

>  <DOI>
10.3390/M1177

$$$$

File : molbank-2021-M1177-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1177-s002-mod

>  <DOI>
10.3390/M1177

$$$$

File : molbank-2021-M1176-s002.mol

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>  <MOL_ID>
molbank-2021-M1176-s002

>  <DOI>
10.3390/M1176

$$$$

File : molbank-2021-M1176-s002-mod.mol

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>  <MOL_ID>
molbank-2021-M1176-s002-mod

>  <DOI>
10.3390/M1176

$$$$

File : molbank-2020-M1175-s002.mol

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>  <MOL_ID>
molbank-2020-M1175-s002

>  <DOI>
10.3390/M1175

$$$$

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>  <MOL_ID>
molbank-2020-M1175-s002-mod

>  <DOI>
10.3390/M1175

$$$$

File : molbank-2020-M1174-s002.mol

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>  <MOL_ID>
molbank-2020-M1174-s002

>  <DOI>
10.3390/M1174

$$$$

File : molbank-2020-M1174-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1174-s002-mod

>  <DOI>
10.3390/M1174

$$$$

File : molbank-2020-M1173-s011.mol

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M  END
>  <MOL_ID>
molbank-2020-M1173-s011

>  <DOI>
10.3390/M1173

$$$$

File : molbank-2020-M1173-s011-mod.mol

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>  <MOL_ID>
molbank-2020-M1173-s011-mod

>  <DOI>
10.3390/M1173

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10.3390/M1173

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>  <MOL_ID>
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>  <DOI>
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molbank-2020-M1173-s003

>  <DOI>
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molbank-2020-M1173-s003-mod

>  <DOI>
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>  <MOL_ID>
molbank-2020-M1173-s002-mod

>  <DOI>
10.3390/M1173

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>  <DOI>
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>  <MOL_ID>
molbank-2020-M1171-s002-mod

>  <DOI>
10.3390/M1171

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>  <MOL_ID>
molbank-2020-M1170-s002

>  <DOI>
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>  <MOL_ID>
molbank-2020-M1170-s002-mod

>  <DOI>
10.3390/M1170

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>  <MOL_ID>
molbank-2020-M1169-s002

>  <DOI>
10.3390/M1169

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>  <MOL_ID>
molbank-2020-M1169-s002-mod

>  <DOI>
10.3390/M1169

$$$$

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>  <MOL_ID>
molbank-2020-M1168-s002

>  <DOI>
10.3390/M1168

$$$$

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>  <MOL_ID>
molbank-2020-M1168-s002-mod

>  <DOI>
10.3390/M1168

$$$$

File : molbank-2020-M1167-s002.mol

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>  <MOL_ID>
molbank-2020-M1167-s002

>  <DOI>
10.3390/M1167

$$$$

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>  <MOL_ID>
molbank-2020-M1167-s002-mod

>  <DOI>
10.3390/M1167

$$$$

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>  <MOL_ID>
molbank-2020-M1166-s001

>  <DOI>
10.3390/M1166

$$$$

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>  <MOL_ID>
molbank-2020-M1166-s001-mod

>  <DOI>
10.3390/M1166

$$$$

File : molbank-2020-M1165-s002.mol

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>  <MOL_ID>
molbank-2020-M1165-s002

>  <DOI>
10.3390/M1165

$$$$

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>  <MOL_ID>
molbank-2020-M1165-s002-mod

>  <DOI>
10.3390/M1165

$$$$

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>  <MOL_ID>
molbank-2020-M1164-s002

>  <DOI>
10.3390/M1164

$$$$

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>  <MOL_ID>
molbank-2020-M1164-s002-mod

>  <DOI>
10.3390/M1164

$$$$

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>  <MOL_ID>
molbank-2020-M1163-s001

>  <DOI>
10.3390/M1163

$$$$

File : molbank-2020-M1163-s001-mod.mol

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>  <MOL_ID>
molbank-2020-M1163-s001-mod

>  <DOI>
10.3390/M1163

$$$$

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>  <MOL_ID>
molbank-2020-M1162-s001

>  <DOI>
10.3390/M1162

$$$$

File : molbank-2020-M1162-s001-mod.mol

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>  <MOL_ID>
molbank-2020-M1162-s001-mod

>  <DOI>
10.3390/M1162

$$$$

File : molbank-2020-M1161-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C 0.357236 -1.650000 0.000000 0
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M  V30 19 F 2.500648 -0.412500 0.000000 0
M  V30 20 F 3.215119 0.825000 0.000000 0
M  V30 21 Br -3.215119 -0.412500 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 7
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M  V30 19 1 18 19
M  V30 20 1 18 20
M  V30 21 1 14 18
M  V30 22 1 11 12
M  V30 23 1 7 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1161-s002

>  <DOI>
10.3390/M1161

$$$$

File : molbank-2020-M1161-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1161-s002-mod

>  <DOI>
10.3390/M1161

$$$$

File : molbank-2020-M1160-s002.mol

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>  <MOL_ID>
molbank-2020-M1160-s002

>  <DOI>
10.3390/M1160

$$$$

File : molbank-2020-M1160-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1160-s002-mod

>  <DOI>
10.3390/M1160

$$$$

File : molbank-2020-M1159-s001.mol

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>  <MOL_ID>
molbank-2020-M1159-s001

>  <DOI>
10.3390/M1159

$$$$

File : molbank-2020-M1159-s001-mod.mol

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>  <DOI>
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molbank-2020-M1158-s002

>  <DOI>
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>  <MOL_ID>
molbank-2020-M1158-s002-mod

>  <DOI>
10.3390/M1158

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>  <MOL_ID>
molbank-2020-M1157-s002

>  <DOI>
10.3390/M1157

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>  <MOL_ID>
molbank-2020-M1157-s002-mod

>  <DOI>
10.3390/M1157

$$$$

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>  <MOL_ID>
molbank-2020-M1156-s001

>  <DOI>
10.3390/M1156

$$$$

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>  <MOL_ID>
molbank-2020-M1156-s001-mod

>  <DOI>
10.3390/M1156

$$$$

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>  <MOL_ID>
molbank-2020-M1155-s002

>  <DOI>
10.3390/M1155

$$$$

File : molbank-2020-M1155-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1155-s002-mod

>  <DOI>
10.3390/M1155

$$$$

File : molbank-2020-M1154-s002.mol

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>  <MOL_ID>
molbank-2020-M1154-s002

>  <DOI>
10.3390/M1154

$$$$

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>  <MOL_ID>
molbank-2020-M1154-s002-mod

>  <DOI>
10.3390/M1154

$$$$

File : molbank-2020-M1153-s002.mol

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>  <DOI>
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>  <MOL_ID>
molbank-2020-M1153-s002-mod

>  <DOI>
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>  <DOI>
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M  END
>  <MOL_ID>
molbank-2020-M1151-s002

>  <DOI>
10.3390/M1151

$$$$

File : molbank-2020-M1151-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1151-s002-mod

>  <DOI>
10.3390/M1151

$$$$

File : molbank-2020-M1150-s001.mol

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>  <MOL_ID>
molbank-2020-M1150-s001

>  <DOI>
10.3390/M1150

$$$$

File : molbank-2020-M1150-s001-mod.mol

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>  <MOL_ID>
molbank-2020-M1150-s001-mod

>  <DOI>
10.3390/M1150

$$$$

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>  <MOL_ID>
molbank-2020-M1149-s002

>  <DOI>
10.3390/M1149

$$$$

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>  <MOL_ID>
molbank-2020-M1149-s002-mod

>  <DOI>
10.3390/M1149

$$$$

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>  <MOL_ID>
molbank-2020-M1148-s002

>  <DOI>
10.3390/M1148

$$$$

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>  <MOL_ID>
molbank-2020-M1148-s002-mod

>  <DOI>
10.3390/M1148

$$$$

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>  <MOL_ID>
molbank-2020-M1147-s006

>  <DOI>
10.3390/M1147

$$$$

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>  <MOL_ID>
molbank-2020-M1147-s006-mod

>  <DOI>
10.3390/M1147

$$$$

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>  <MOL_ID>
molbank-2020-M1147-s005

>  <DOI>
10.3390/M1147

$$$$

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>  <MOL_ID>
molbank-2020-M1147-s005-mod

>  <DOI>
10.3390/M1147

$$$$

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>  <MOL_ID>
molbank-2020-M1147-s004

>  <DOI>
10.3390/M1147

$$$$

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molbank-2020-M1147-s004-mod

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10.3390/M1147

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molbank-2020-M1147-s003

>  <DOI>
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molbank-2020-M1147-s003-mod

>  <DOI>
10.3390/M1147

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molbank-2020-M1146-s002

>  <DOI>
10.3390/M1146

$$$$

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>  <MOL_ID>
molbank-2020-M1146-s002-mod

>  <DOI>
10.3390/M1146

$$$$

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>  <MOL_ID>
molbank-2020-M1145-s002

>  <DOI>
10.3390/M1145

$$$$

File : molbank-2020-M1145-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1145-s002-mod

>  <DOI>
10.3390/M1145

$$$$

File : molbank-2020-M1145-s001.mol

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>  <MOL_ID>
molbank-2020-M1145-s001

>  <DOI>
10.3390/M1145

$$$$

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>  <MOL_ID>
molbank-2020-M1145-s001-mod

>  <DOI>
10.3390/M1145

$$$$

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>  <MOL_ID>
molbank-2020-M1144-s002

>  <DOI>
10.3390/M1144

$$$$

File : molbank-2020-M1144-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1144-s002-mod

>  <DOI>
10.3390/M1144

$$$$

File : molbank-2020-M1143-s001.mol

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>  <MOL_ID>
molbank-2020-M1143-s001

>  <DOI>
10.3390/M1143

$$$$

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>  <MOL_ID>
molbank-2020-M1143-s001-mod

>  <DOI>
10.3390/M1143

$$$$

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>  <MOL_ID>
molbank-2020-M1142-s002

>  <DOI>
10.3390/M1142

$$$$

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>  <MOL_ID>
molbank-2020-M1142-s002-mod

>  <DOI>
10.3390/M1142

$$$$

File : molbank-2020-M1141-s001.mol

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>  <MOL_ID>
molbank-2020-M1141-s001

>  <DOI>
10.3390/M1141

$$$$

File : molbank-2020-M1141-s001-mod.mol

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>  <MOL_ID>
molbank-2020-M1141-s001-mod

>  <DOI>
10.3390/M1141

$$$$

File : molbank-2020-M1140-s004.mol

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>  <MOL_ID>
molbank-2020-M1140-s004

>  <DOI>
10.3390/M1140

$$$$

File : molbank-2020-M1140-s004-mod.mol

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>  <MOL_ID>
molbank-2020-M1140-s004-mod

>  <DOI>
10.3390/M1140

$$$$

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>  <MOL_ID>
molbank-2020-M1140-s003

>  <DOI>
10.3390/M1140

$$$$

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>  <MOL_ID>
molbank-2020-M1140-s003-mod

>  <DOI>
10.3390/M1140

$$$$

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>  <MOL_ID>
molbank-2020-M1140-s002

>  <DOI>
10.3390/M1140

$$$$

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>  <MOL_ID>
molbank-2020-M1140-s002-mod

>  <DOI>
10.3390/M1140

$$$$

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>  <MOL_ID>
molbank-2020-M1139-s003

>  <DOI>
10.3390/M1139

$$$$

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>  <MOL_ID>
molbank-2020-M1139-s003-mod

>  <DOI>
10.3390/M1139

$$$$

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>  <MOL_ID>
molbank-2020-M1139-s002

>  <DOI>
10.3390/M1139

$$$$

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molbank-2020-M1139-s002-mod

>  <DOI>
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molbank-2020-M1138-s001

>  <DOI>
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molbank-2020-M1138-s001-mod

>  <DOI>
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molbank-2020-M1137-s002

>  <DOI>
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$$$$

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molbank-2020-M1137-s002-mod

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>  <MOL_ID>
molbank-2020-M1136-s002

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10.3390/M1136

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>  <MOL_ID>
molbank-2020-M1136-s002-mod

>  <DOI>
10.3390/M1136

$$$$

File : molbank-2020-M1135-s002.mol

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M  END
>  <MOL_ID>
molbank-2020-M1135-s002

>  <DOI>
10.3390/M1135

$$$$

File : molbank-2020-M1135-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1135-s002-mod

>  <DOI>
10.3390/M1135

$$$$

File : molbank-2020-M1134-s005.mol

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M  END
>  <MOL_ID>
molbank-2020-M1134-s005

>  <DOI>
10.3390/M1134

$$$$

File : molbank-2020-M1134-s005-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1134-s005-mod

>  <DOI>
10.3390/M1134

$$$$

File : molbank-2020-M1134-s004.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1134-s004

>  <DOI>
10.3390/M1134

$$$$

File : molbank-2020-M1134-s004-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 15 16 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C  -0.021466 1.731746 0.011564 0
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M  V30 11 C  -0.095336 5.908036 0.033792 0
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M  V30 14 O  -3.575848 2.198036 0.031071 0 CHG=-1
M  V30 15 O  -2.465218 0.404479 0.016019 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 6 1 6 1
M  V30 13 1 1 12
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M  V30 3 2 3 4
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M  V30 15 1 12 14
M  V30 16 2 12 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1134-s004-mod

>  <DOI>
10.3390/M1134

$$$$

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>  <MOL_ID>
molbank-2020-M1134-s003

>  <DOI>
10.3390/M1134

$$$$

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>  <MOL_ID>
molbank-2020-M1134-s003-mod

>  <DOI>
10.3390/M1134

$$$$

File : molbank-2020-M1134-s002.mol

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>  <MOL_ID>
molbank-2020-M1134-s002

>  <DOI>
10.3390/M1134

$$$$

File : molbank-2020-M1134-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1134-s002-mod

>  <DOI>
10.3390/M1134

$$$$

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>  <MOL_ID>
molbank-2020-M1134-s001

>  <DOI>
10.3390/M1134

$$$$

File : molbank-2020-M1134-s001-mod.mol

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>  <MOL_ID>
molbank-2020-M1134-s001-mod

>  <DOI>
10.3390/M1134

$$$$

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M  END
>  <MOL_ID>
molbank-2020-M1133-s002

>  <DOI>
10.3390/M1133

$$$$

File : molbank-2020-M1133-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1133-s002-mod

>  <DOI>
10.3390/M1133

$$$$

File : molbank-2020-M1132-s002.mol

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M  SAL   1  1  28
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M  SMT   2 OEt
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M  END
>  <MOL_ID>
molbank-2020-M1132-s002

>  <DOI>
10.3390/M1132

$$$$

File : molbank-2020-M1132-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1132-s002-mod

>  <DOI>
10.3390/M1132

$$$$

File : molbank-2020-M1131-s002.mol

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>  <MOL_ID>
molbank-2020-M1131-s002

>  <DOI>
10.3390/M1131

$$$$

File : molbank-2020-M1131-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1131-s002-mod

>  <DOI>
10.3390/M1131

$$$$

File : molbank-2020-M1130-s007.mol

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M  V30 BEGIN ATOM
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M  V30 2 C -4.892640 0.013220 -0.101533 0
M  V30 3 C -5.060804 -0.929136 0.045477 0
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M  V30 24 C 3.865671 3.270749 -0.012692 0
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M  V30 34 C 1.315703 -2.316760 -0.012692 0
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 7 8 9 10 11) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 17 20 18 19 21) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 26 25 22 23 24) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 1 34 35
M  V30 36 1 6 36
M  V30 37 1 36 37
M  V30 38 2 14 38
M  V30 39 1 37 39
M  V30 40 1 35 40
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s007

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s007-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 40 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -3.848750 -0.122158 -0.021152 0
M  V30 2 C -4.892640 0.013220 -0.101533 0
M  V30 3 C -5.060804 -0.929136 0.045477 0
M  V30 4 C -3.549438 -0.745108 0.099418 0
M  V30 5 C -2.457955 0.295611 -0.012692 0
M  V30 6 C -3.279740 0.755683 -0.134320 0
M  V30 7 C -3.694334 -3.648327 0.572182 0
M  V30 8 C -2.931777 -4.006867 0.673715 0
M  V30 9 C -1.269168 -3.240078 0.638813 0
M  V30 10 C -1.006874 -2.410889 0.516128 0
M  V30 11 C -2.497087 -2.663665 0.474878 0
M  V30 12 * -2.279214 -3.194599 0.575355 0
M  V30 13 Fe -2.842936 -1.892645 -0.012692 0
M  V30 14 P -1.014277 0.780008 -0.012692 0
M  V30 15 C -0.246431 2.153882 -0.012692 0
M  V30 16 * 1.525115 -0.094658 -0.012692 0
M  V30 17 C 1.675300 -1.140664 -0.012692 0
M  V30 18 C 2.637752 -1.037015 -0.012692 0
M  V30 19 C 2.050762 0.368587 -0.012692 0
M  V30 20 C 0.743520 1.127972 -0.012692 0
M  V30 21 C 0.517185 0.205711 -0.012692 0
M  V30 22 C 4.916965 1.045477 -0.012692 0
M  V30 23 C 5.060804 1.883127 -0.012692 0
M  V30 24 C 3.865671 3.270749 -0.012692 0
M  V30 25 C 2.987830 3.289788 -0.012692 0
M  V30 26 C 3.635105 1.923318 -0.012692 0
M  V30 27 * 4.093063 2.282914 -0.012692 0
M  V30 28 Fe 2.894758 1.196718 -0.012692 0
M  V30 29 C 0.864090 2.385506 -1.029082 0
M  V30 30 C 1.647801 3.691691 -1.016391 0
M  V30 31 C 1.319933 4.766251 0.012690 0
M  V30 32 C 0.209411 4.534628 1.029082 0
M  V30 33 C -0.573241 3.228444 1.016391 0
M  V30 34 C 1.315703 -2.316760 -0.012692 0
M  V30 35 C 2.095182 -3.370168 0.763615 0
M  V30 36 C -3.208878 2.257530 -0.378634 0
M  V30 37 C -4.216808 3.090951 0.400844 0
M  V30 38 S -1.014277 -0.742992 -0.012692 0
M  V30 39 O -3.962976 4.592798 0.400844 0
M  V30 40 O 1.488099 -4.766251 0.763615 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 3 6 4 2 5) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 7 8 9 10 11) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 17 20 18 19 21) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 26 25 22 23 24) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 1 34 35
M  V30 36 1 6 36
M  V30 37 1 36 37
M  V30 38 2 14 38
M  V30 39 1 37 39
M  V30 40 1 35 40
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s007-mod

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s006.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 38 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -3.848750 -0.501850 -0.021152 0
M  V30 2 C -4.892640 -0.366472 -0.101533 0
M  V30 3 C -5.060804 -1.308828 0.045477 0
M  V30 4 C -3.549438 -1.124800 0.099418 0
M  V30 5 C -2.457955 -0.084081 -0.012692 0
M  V30 6 C -3.279740 0.375991 -0.134320 0
M  V30 7 C -3.694334 -4.028019 0.572182 0
M  V30 8 C -2.931777 -4.386559 0.673715 0
M  V30 9 C -1.269168 -3.619770 0.638813 0
M  V30 10 C -1.006874 -2.790582 0.516128 0
M  V30 11 C -2.497087 -3.043357 0.474878 0
M  V30 12 * -2.279214 -3.574291 0.575355 0
M  V30 13 Fe -2.842936 -2.272337 -0.012692 0
M  V30 14 P -1.014277 0.400316 -0.012692 0
M  V30 15 C -0.246431 1.774190 -0.012692 0
M  V30 16 * 1.525115 -0.474351 -0.012692 0
M  V30 17 C 1.675300 -1.520356 -0.012692 0
M  V30 18 C 2.637752 -1.416708 -0.012692 0
M  V30 19 C 2.050762 -0.011106 -0.012692 0
M  V30 20 C 0.743520 0.748280 -0.012692 0
M  V30 21 C 0.517185 -0.173981 -0.012692 0
M  V30 22 C 4.916965 0.665785 -0.012692 0
M  V30 23 C 5.060804 1.503435 -0.012692 0
M  V30 24 C 3.865671 2.891057 -0.012692 0
M  V30 25 C 2.987830 2.910095 -0.012692 0
M  V30 26 C 3.635105 1.543626 -0.012692 0
M  V30 27 * 4.093063 1.903222 -0.012692 0
M  V30 28 Fe 2.894758 0.817026 -0.012692 0
M  V30 29 C 0.864090 2.005813 -1.029082 0
M  V30 30 C 1.647801 3.311999 -1.016391 0
M  V30 31 C 1.319933 4.386559 0.012690 0
M  V30 32 C 0.209411 4.154936 1.029082 0
M  V30 33 C -0.573241 2.848752 1.016391 0
M  V30 34 C 1.315703 -2.696452 -0.012692 0
M  V30 35 C 2.095182 -3.749860 0.763615 0
M  V30 36 C -3.208878 1.877838 -0.378634 0
M  V30 37 C -4.216808 2.711259 0.400844 0
M  V30 38 S -1.014277 -1.122684 -0.012692 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 6 5 4 3 2) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 8 7 9 10 11) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 17 19 20 21 18) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 23 22 25 24 26) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 2 34 35
M  V30 36 1 6 36
M  V30 37 2 36 37
M  V30 38 2 14 38
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s006

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s006-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 38 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -3.848750 -0.501850 -0.021152 0
M  V30 2 C -4.892640 -0.366472 -0.101533 0
M  V30 3 C -5.060804 -1.308828 0.045477 0
M  V30 4 C -3.549438 -1.124800 0.099418 0
M  V30 5 C -2.457955 -0.084081 -0.012692 0
M  V30 6 C -3.279740 0.375991 -0.134320 0
M  V30 7 C -3.694334 -4.028019 0.572182 0
M  V30 8 C -2.931777 -4.386559 0.673715 0
M  V30 9 C -1.269168 -3.619770 0.638813 0
M  V30 10 C -1.006874 -2.790582 0.516128 0
M  V30 11 C -2.497087 -3.043357 0.474878 0
M  V30 12 * -2.279214 -3.574291 0.575355 0
M  V30 13 Fe -2.842936 -2.272337 -0.012692 0
M  V30 14 P -1.014277 0.400316 -0.012692 0
M  V30 15 C -0.246431 1.774190 -0.012692 0
M  V30 16 * 1.525115 -0.474351 -0.012692 0
M  V30 17 C 1.675300 -1.520356 -0.012692 0
M  V30 18 C 2.637752 -1.416708 -0.012692 0
M  V30 19 C 2.050762 -0.011106 -0.012692 0
M  V30 20 C 0.743520 0.748280 -0.012692 0
M  V30 21 C 0.517185 -0.173981 -0.012692 0
M  V30 22 C 4.916965 0.665785 -0.012692 0
M  V30 23 C 5.060804 1.503435 -0.012692 0
M  V30 24 C 3.865671 2.891057 -0.012692 0
M  V30 25 C 2.987830 2.910095 -0.012692 0
M  V30 26 C 3.635105 1.543626 -0.012692 0
M  V30 27 * 4.093063 1.903222 -0.012692 0
M  V30 28 Fe 2.894758 0.817026 -0.012692 0
M  V30 29 C 0.864090 2.005813 -1.029082 0
M  V30 30 C 1.647801 3.311999 -1.016391 0
M  V30 31 C 1.319933 4.386559 0.012690 0
M  V30 32 C 0.209411 4.154936 1.029082 0
M  V30 33 C -0.573241 2.848752 1.016391 0
M  V30 34 C 1.315703 -2.696452 -0.012692 0
M  V30 35 C 2.095182 -3.749860 0.763615 0
M  V30 36 C -3.208878 1.877838 -0.378634 0
M  V30 37 C -4.216808 2.711259 0.400844 0
M  V30 38 S -1.014277 -1.122684 -0.012692 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 6 5 4 3 2) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 8 7 9 10 11) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 17 19 20 21 18) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 23 22 25 24 26) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 2 34 35
M  V30 36 1 6 36
M  V30 37 2 36 37
M  V30 38 2 14 38
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s006-mod

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s005.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 40 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -3.848750 -0.122158 -0.021152 0
M  V30 2 C -4.892640 0.013220 -0.101533 0
M  V30 3 C -5.060804 -0.929136 0.045477 0
M  V30 4 C -3.549438 -0.745108 0.099418 0
M  V30 5 C -2.457955 0.295611 -0.012692 0
M  V30 6 C -3.279740 0.755683 -0.134320 0
M  V30 7 C -3.694334 -3.648327 0.572182 0
M  V30 8 C -2.931777 -4.006867 0.673715 0
M  V30 9 C -1.269168 -3.240078 0.638813 0
M  V30 10 C -1.006874 -2.410889 0.516128 0
M  V30 11 C -2.497087 -2.663665 0.474878 0
M  V30 12 * -2.279214 -3.194599 0.575355 0
M  V30 13 Fe -2.842936 -1.892645 -0.012692 0
M  V30 14 P -1.014277 0.780008 -0.012692 0
M  V30 15 C -0.246431 2.153882 -0.012692 0
M  V30 16 * 1.525115 -0.094658 -0.012692 0
M  V30 17 C 1.675300 -1.140664 -0.012692 0
M  V30 18 C 2.637752 -1.037015 -0.012692 0
M  V30 19 C 2.050762 0.368587 -0.012692 0
M  V30 20 C 0.743520 1.127972 -0.012692 0
M  V30 21 C 0.517185 0.205711 -0.012692 0
M  V30 22 C 4.916965 1.045477 -0.012692 0
M  V30 23 C 5.060804 1.883127 -0.012692 0
M  V30 24 C 3.865671 3.270749 -0.012692 0
M  V30 25 C 2.987830 3.289788 -0.012692 0
M  V30 26 C 3.635105 1.923318 -0.012692 0
M  V30 27 * 4.093063 2.282914 -0.012692 0
M  V30 28 Fe 2.894758 1.196718 -0.012692 0
M  V30 29 C 0.864090 2.385506 -1.029082 0
M  V30 30 C 1.647801 3.691691 -1.016391 0
M  V30 31 C 1.319933 4.766251 0.012690 0
M  V30 32 C 0.209411 4.534628 1.029082 0
M  V30 33 C -0.573241 3.228444 1.016391 0
M  V30 34 C 1.315703 -2.316760 -0.012692 0
M  V30 35 C 2.095182 -3.370168 0.763615 0
M  V30 36 C -3.208878 2.257530 -0.378634 0
M  V30 37 C -4.216808 3.090951 0.400844 0
M  V30 38 O -1.014277 -0.742992 -0.012692 0
M  V30 39 O -3.962976 4.592798 0.400844 0
M  V30 40 O 1.488099 -4.766251 0.763615 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 6 3 5 4 2) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 10 11 8 9 7) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 19 17 20 21 18) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 23 26 25 24 22) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 1 34 35
M  V30 36 1 6 36
M  V30 37 1 36 37
M  V30 38 2 14 38
M  V30 39 1 37 39
M  V30 40 1 35 40
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s005

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s005-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 40 40 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -3.848750 -0.122158 -0.021152 0
M  V30 2 C -4.892640 0.013220 -0.101533 0
M  V30 3 C -5.060804 -0.929136 0.045477 0
M  V30 4 C -3.549438 -0.745108 0.099418 0
M  V30 5 C -2.457955 0.295611 -0.012692 0
M  V30 6 C -3.279740 0.755683 -0.134320 0
M  V30 7 C -3.694334 -3.648327 0.572182 0
M  V30 8 C -2.931777 -4.006867 0.673715 0
M  V30 9 C -1.269168 -3.240078 0.638813 0
M  V30 10 C -1.006874 -2.410889 0.516128 0
M  V30 11 C -2.497087 -2.663665 0.474878 0
M  V30 12 * -2.279214 -3.194599 0.575355 0
M  V30 13 Fe -2.842936 -1.892645 -0.012692 0
M  V30 14 P -1.014277 0.780008 -0.012692 0
M  V30 15 C -0.246431 2.153882 -0.012692 0
M  V30 16 * 1.525115 -0.094658 -0.012692 0
M  V30 17 C 1.675300 -1.140664 -0.012692 0
M  V30 18 C 2.637752 -1.037015 -0.012692 0
M  V30 19 C 2.050762 0.368587 -0.012692 0
M  V30 20 C 0.743520 1.127972 -0.012692 0
M  V30 21 C 0.517185 0.205711 -0.012692 0
M  V30 22 C 4.916965 1.045477 -0.012692 0
M  V30 23 C 5.060804 1.883127 -0.012692 0
M  V30 24 C 3.865671 3.270749 -0.012692 0
M  V30 25 C 2.987830 3.289788 -0.012692 0
M  V30 26 C 3.635105 1.923318 -0.012692 0
M  V30 27 * 4.093063 2.282914 -0.012692 0
M  V30 28 Fe 2.894758 1.196718 -0.012692 0
M  V30 29 C 0.864090 2.385506 -1.029082 0
M  V30 30 C 1.647801 3.691691 -1.016391 0
M  V30 31 C 1.319933 4.766251 0.012690 0
M  V30 32 C 0.209411 4.534628 1.029082 0
M  V30 33 C -0.573241 3.228444 1.016391 0
M  V30 34 C 1.315703 -2.316760 -0.012692 0
M  V30 35 C 2.095182 -3.370168 0.763615 0
M  V30 36 C -3.208878 2.257530 -0.378634 0
M  V30 37 C -4.216808 3.090951 0.400844 0
M  V30 38 O -1.014277 -0.742992 -0.012692 0
M  V30 39 O -3.962976 4.592798 0.400844 0
M  V30 40 O 1.488099 -4.766251 0.763615 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 6 3 5 4 2) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 10 11 8 9 7) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 19 17 20 21 18) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 23 26 25 24 22) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 1 34 35
M  V30 36 1 6 36
M  V30 37 1 36 37
M  V30 38 2 14 38
M  V30 39 1 37 39
M  V30 40 1 35 40
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s005-mod

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s004.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 41 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * 3.455836 -0.096774 -0.020094 0
M  V30 2 C 4.500784 0.037547 -0.100475 0
M  V30 3 C 4.667891 -0.904810 0.045479 0
M  V30 4 C 3.157583 -0.719724 0.099418 0
M  V30 5 C 2.065041 0.320993 -0.012691 0
M  V30 6 C 2.886827 0.780010 -0.134319 0
M  V30 7 C 3.301422 -3.624000 0.572182 0
M  V30 8 C 2.538863 -3.982542 0.673716 0
M  V30 9 C 0.876254 -3.214694 0.638813 0
M  V30 10 C 0.613960 -2.385506 0.516127 0
M  V30 11 C 2.105230 -2.638281 0.474879 0
M  V30 12 * 1.887357 -3.169217 0.575356 0
M  V30 13 Fe 2.451079 -1.867263 -0.012691 0
M  V30 14 P 0.621362 0.805392 -0.012691 0
M  V30 15 C -0.146483 2.178208 -0.012691 0
M  V30 16 * -1.916972 -0.070333 -0.012691 0
M  V30 17 C -2.067157 -1.116338 -0.012691 0
M  V30 18 C -3.029608 -1.012690 -0.012691 0
M  V30 19 C -2.443676 0.392913 -0.012691 0
M  V30 20 C -1.136434 1.153356 -0.012691 0
M  V30 21 C -0.910099 0.231095 -0.012691 0
M  V30 22 C -5.309878 1.070861 -0.012691 0
M  V30 23 C -5.453717 1.907452 -0.012691 0
M  V30 24 C -4.258586 3.295076 -0.012691 0
M  V30 25 C -3.380745 3.315170 -0.012691 0
M  V30 26 C -4.028019 1.947643 -0.012691 0
M  V30 27 * -4.485977 2.307240 -0.012691 0
M  V30 28 Fe -3.287672 1.221045 -0.012691 0
M  V30 29 C -1.257005 2.410889 -1.029083 0
M  V30 30 C -2.039657 3.717073 -1.016390 0
M  V30 31 C -1.712847 4.791635 0.012693 0
M  V30 32 C -0.602326 4.558955 1.029083 0
M  V30 33 C 0.180327 3.252769 1.016391 0
M  V30 34 C -1.708617 -2.291376 -0.012691 0
M  V30 35 C 2.815964 2.281857 -0.378633 0
M  V30 36 N -2.849809 -3.299306 -0.012691 0
M  V30 37 N 4.147533 3.022205 -0.378633 0
M  V30 38 C 5.453717 2.239551 -0.378633 0
M  V30 39 C 4.171858 4.545205 -0.378633 0
M  V30 40 C -4.293488 -2.813850 -0.012691 0
M  V30 41 C -2.548383 -4.791635 -0.012691 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 3 5 4 2 6) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 8 11 7 10 9) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 17 18 19 20 21) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 22 26 24 23 25) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 1 6 35
M  V30 36 1 34 36
M  V30 37 1 35 37
M  V30 38 1 37 38
M  V30 39 1 37 39
M  V30 40 1 36 40
M  V30 41 1 36 41
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s004

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s004-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 41 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * 3.455836 -0.096774 -0.020094 0
M  V30 2 C 4.500784 0.037547 -0.100475 0
M  V30 3 C 4.667891 -0.904810 0.045479 0
M  V30 4 C 3.157583 -0.719724 0.099418 0
M  V30 5 C 2.065041 0.320993 -0.012691 0
M  V30 6 C 2.886827 0.780010 -0.134319 0
M  V30 7 C 3.301422 -3.624000 0.572182 0
M  V30 8 C 2.538863 -3.982542 0.673716 0
M  V30 9 C 0.876254 -3.214694 0.638813 0
M  V30 10 C 0.613960 -2.385506 0.516127 0
M  V30 11 C 2.105230 -2.638281 0.474879 0
M  V30 12 * 1.887357 -3.169217 0.575356 0
M  V30 13 Fe 2.451079 -1.867263 -0.012691 0
M  V30 14 P 0.621362 0.805392 -0.012691 0
M  V30 15 C -0.146483 2.178208 -0.012691 0
M  V30 16 * -1.916972 -0.070333 -0.012691 0
M  V30 17 C -2.067157 -1.116338 -0.012691 0
M  V30 18 C -3.029608 -1.012690 -0.012691 0
M  V30 19 C -2.443676 0.392913 -0.012691 0
M  V30 20 C -1.136434 1.153356 -0.012691 0
M  V30 21 C -0.910099 0.231095 -0.012691 0
M  V30 22 C -5.309878 1.070861 -0.012691 0
M  V30 23 C -5.453717 1.907452 -0.012691 0
M  V30 24 C -4.258586 3.295076 -0.012691 0
M  V30 25 C -3.380745 3.315170 -0.012691 0
M  V30 26 C -4.028019 1.947643 -0.012691 0
M  V30 27 * -4.485977 2.307240 -0.012691 0
M  V30 28 Fe -3.287672 1.221045 -0.012691 0
M  V30 29 C -1.257005 2.410889 -1.029083 0
M  V30 30 C -2.039657 3.717073 -1.016390 0
M  V30 31 C -1.712847 4.791635 0.012693 0
M  V30 32 C -0.602326 4.558955 1.029083 0
M  V30 33 C 0.180327 3.252769 1.016391 0
M  V30 34 C -1.708617 -2.291376 -0.012691 0
M  V30 35 C 2.815964 2.281857 -0.378633 0
M  V30 36 N -2.849809 -3.299306 -0.012691 0
M  V30 37 N 4.147533 3.022205 -0.378633 0
M  V30 38 C 5.453717 2.239551 -0.378633 0
M  V30 39 C 4.171858 4.545205 -0.378633 0
M  V30 40 C -4.293488 -2.813850 -0.012691 0
M  V30 41 C -2.548383 -4.791635 -0.012691 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 3 5 4 2 6) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 8 11 7 10 9) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 17 18 19 20 21) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 22 26 24 23 25) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 1 6 35
M  V30 36 1 34 36
M  V30 37 1 35 37
M  V30 38 1 37 38
M  V30 39 1 37 39
M  V30 40 1 36 40
M  V30 41 1 36 41
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s004-mod

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -2.102319 0.153828 0.000000 0
M  V30 2 C -2.582423 0.464348 0.000000 0
M  V30 3 C -2.883205 0.034661 0.000000 0
M  V30 4 C -2.100027 -0.226016 0.000000 0
M  V30 5 C -1.324297 0.036953 0.000000 0
M  V30 6 C -1.620495 0.458046 0.000000 0
M  V30 7 C -2.844246 -1.637683 0.000000 0
M  V30 8 C -2.553777 -1.994037 0.000000 0
M  V30 9 C -1.561485 -2.000339 0.000000 0
M  V30 10 C -1.241225 -1.648568 0.000000 0
M  V30 11 C -2.029558 -1.426277 0.000000 0
M  V30 12 * -2.046173 -1.741954 0.000000 0
M  V30 13 Fe -2.062787 -0.865391 0.000000 0
M  V30 14 C -0.539974 -0.219141 0.000000 0
M  V30 15 N 0.073620 0.332005 0.000000 0
M  V30 16 C 0.857943 0.076484 0.000000 0
M  V30 17 Br -1.237787 1.188515 0.000000 0
M  V30 18 C 1.485287 0.641380 0.000000 0
M  V30 19 C 2.270183 0.385859 0.000000 0
M  V30 20 C 2.883205 0.938151 0.000000 0
M  V30 21 C 2.711902 1.744818 0.000000 0
M  V30 22 C 1.927006 2.000339 0.000000 0
M  V30 23 C 1.313985 1.448048 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 2 5 6 3 4) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 7 9 10 8 11) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 6 17
M  V30 17 1 16 18
M  V30 18 2 18 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 23 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s003

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -2.102319 0.153828 0.000000 0
M  V30 2 C -2.582423 0.464348 0.000000 0
M  V30 3 C -2.883205 0.034661 0.000000 0
M  V30 4 C -2.100027 -0.226016 0.000000 0
M  V30 5 C -1.324297 0.036953 0.000000 0
M  V30 6 C -1.620495 0.458046 0.000000 0
M  V30 7 C -2.844246 -1.637683 0.000000 0
M  V30 8 C -2.553777 -1.994037 0.000000 0
M  V30 9 C -1.561485 -2.000339 0.000000 0
M  V30 10 C -1.241225 -1.648568 0.000000 0
M  V30 11 C -2.029558 -1.426277 0.000000 0
M  V30 12 * -2.046173 -1.741954 0.000000 0
M  V30 13 Fe -2.062787 -0.865391 0.000000 0
M  V30 14 C -0.539974 -0.219141 0.000000 0
M  V30 15 N 0.073620 0.332005 0.000000 0
M  V30 16 C 0.857943 0.076484 0.000000 0
M  V30 17 Br -1.237787 1.188515 0.000000 0
M  V30 18 C 1.485287 0.641380 0.000000 0
M  V30 19 C 2.270183 0.385859 0.000000 0
M  V30 20 C 2.883205 0.938151 0.000000 0
M  V30 21 C 2.711902 1.744818 0.000000 0
M  V30 22 C 1.927006 2.000339 0.000000 0
M  V30 23 C 1.313985 1.448048 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 2 5 6 3 4) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 7 9 10 8 11) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 6 17
M  V30 17 1 16 18
M  V30 18 2 18 19
M  V30 19 1 19 20
M  V30 20 2 20 21
M  V30 21 1 21 22
M  V30 22 2 22 23
M  V30 23 1 23 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s003-mod

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 38 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -3.812261 -0.620306 0.000000 0
M  V30 2 C -4.698563 -0.046007 0.000000 0
M  V30 3 C -5.253824 -0.840295 0.000000 0
M  V30 4 C -3.808031 -1.321520 0.000000 0
M  V30 5 C -2.375986 -0.836064 0.000000 0
M  V30 6 C -2.922786 -0.058700 0.000000 0
M  V30 7 C -5.181903 -3.927543 0.000000 0
M  V30 8 C -4.645681 -4.585395 0.000000 0
M  V30 9 C -2.813849 -4.597029 0.000000 0
M  V30 10 C -2.222629 -3.947639 0.000000 0
M  V30 11 C -3.677940 -3.537276 0.000000 0
M  V30 12 * -3.708613 -4.118977 0.000000 0
M  V30 13 Fe -3.739283 -2.501846 0.000000 0
M  V30 14 C -0.928078 -1.308829 0.000000 0
M  V30 15 N 0.204653 -0.290321 0.000000 0
M  V30 16 C 1.652561 -0.763086 0.000000 0
M  V30 17 Br -2.216283 1.289790 0.000000 0
M  V30 18 * 3.749860 -2.682703 0.000000 0
M  V30 19 C 2.863558 -2.108404 0.000000 0
M  V30 20 C 2.308298 -2.902692 0.000000 0
M  V30 21 C 3.754090 -3.383917 0.000000 0
M  V30 22 C 5.186135 -2.898460 0.000000 0
M  V30 23 C 4.639336 -2.121097 0.000000 0
M  V30 24 C 2.274454 0.937598 0.000000 0
M  V30 25 C 2.810676 0.279746 0.000000 0
M  V30 26 C 4.642508 0.268112 0.000000 0
M  V30 27 C 5.233728 0.917502 0.000000 0
M  V30 28 C 3.778417 1.327865 0.000000 0
M  V30 29 * 3.747745 0.746164 0.000000 0
M  V30 30 Fe 3.775243 -1.063457 0.000000 0
M  V30 31 Br 5.253824 -1.126915 0.000000 0
M  V30 32 C -0.109466 1.198835 0.000000 0
M  V30 33 C 1.023266 2.217340 0.000000 0
M  V30 34 C 2.355891 1.872551 -0.651505 0
M  V30 35 C 3.489680 2.889999 -0.651505 0
M  V30 36 C 3.289787 4.252239 0.000000 0
M  V30 37 C 1.956103 4.597029 0.651505 0
M  V30 38 C 0.823373 3.578523 0.651505 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 3 2 4 5 6) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 11 9 10 7 8) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 6 17
M  V30 17 1 18 30 CFG=3 ENDPTS=(5 20 21 22 23 19) ATTACH=ANY
M  V30 18 4 19 20
M  V30 19 4 20 21
M  V30 20 4 22 21
M  V30 21 4 22 23
M  V30 22 4 19 23
M  V30 23 4 24 25
M  V30 24 4 27 26
M  V30 25 4 27 28
M  V30 26 4 24 28
M  V30 27 1 30 29 CFG=3 ENDPTS=(5 28 24 25 26 27) ATTACH=ANY
M  V30 28 1 16 25
M  V30 29 1 26 31
M  V30 30 1 15 32
M  V30 31 1 32 33
M  V30 32 2 33 34
M  V30 33 1 34 35
M  V30 34 2 35 36
M  V30 35 1 36 37
M  V30 36 2 37 38
M  V30 37 1 38 33
M  V30 38 4 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s002

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1130-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 38 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -3.812261 -0.620306 0.000000 0
M  V30 2 C -4.698563 -0.046007 0.000000 0
M  V30 3 C -5.253824 -0.840295 0.000000 0
M  V30 4 C -3.808031 -1.321520 0.000000 0
M  V30 5 C -2.375986 -0.836064 0.000000 0
M  V30 6 C -2.922786 -0.058700 0.000000 0
M  V30 7 C -5.181903 -3.927543 0.000000 0
M  V30 8 C -4.645681 -4.585395 0.000000 0
M  V30 9 C -2.813849 -4.597029 0.000000 0
M  V30 10 C -2.222629 -3.947639 0.000000 0
M  V30 11 C -3.677940 -3.537276 0.000000 0
M  V30 12 * -3.708613 -4.118977 0.000000 0
M  V30 13 Fe -3.739283 -2.501846 0.000000 0
M  V30 14 C -0.928078 -1.308829 0.000000 0
M  V30 15 N 0.204653 -0.290321 0.000000 0
M  V30 16 C 1.652561 -0.763086 0.000000 0
M  V30 17 Br -2.216283 1.289790 0.000000 0
M  V30 18 * 3.749860 -2.682703 0.000000 0
M  V30 19 C 2.863558 -2.108404 0.000000 0
M  V30 20 C 2.308298 -2.902692 0.000000 0
M  V30 21 C 3.754090 -3.383917 0.000000 0
M  V30 22 C 5.186135 -2.898460 0.000000 0
M  V30 23 C 4.639336 -2.121097 0.000000 0
M  V30 24 C 2.274454 0.937598 0.000000 0
M  V30 25 C 2.810676 0.279746 0.000000 0
M  V30 26 C 4.642508 0.268112 0.000000 0
M  V30 27 C 5.233728 0.917502 0.000000 0
M  V30 28 C 3.778417 1.327865 0.000000 0
M  V30 29 * 3.747745 0.746164 0.000000 0
M  V30 30 Fe 3.775243 -1.063457 0.000000 0
M  V30 31 Br 5.253824 -1.126915 0.000000 0
M  V30 32 C -0.109466 1.198835 0.000000 0
M  V30 33 C 1.023266 2.217340 0.000000 0
M  V30 34 C 2.355891 1.872551 -0.651505 0
M  V30 35 C 3.489680 2.889999 -0.651505 0
M  V30 36 C 3.289787 4.252239 0.000000 0
M  V30 37 C 1.956103 4.597029 0.651505 0
M  V30 38 C 0.823373 3.578523 0.651505 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 3 2 4 5 6) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 11 9 10 7 8) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 6 17
M  V30 17 1 18 30 CFG=3 ENDPTS=(5 20 21 22 23 19) ATTACH=ANY
M  V30 18 4 19 20
M  V30 19 4 20 21
M  V30 20 4 22 21
M  V30 21 4 22 23
M  V30 22 4 19 23
M  V30 23 4 24 25
M  V30 24 4 27 26
M  V30 25 4 27 28
M  V30 26 4 24 28
M  V30 27 1 30 29 CFG=3 ENDPTS=(5 28 24 25 26 27) ATTACH=ANY
M  V30 28 1 16 25
M  V30 29 1 26 31
M  V30 30 1 15 32
M  V30 31 1 32 33
M  V30 32 2 33 34
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M  V30 34 2 35 36
M  V30 35 1 36 37
M  V30 36 2 37 38
M  V30 37 1 38 33
M  V30 38 4 25 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1130-s002-mod

>  <DOI>
10.3390/M1130

$$$$

File : molbank-2020-M1129-s002.mol

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>  <MOL_ID>
molbank-2020-M1129-s002

>  <DOI>
10.3390/M1129

$$$$

File : molbank-2020-M1129-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1129-s002-mod

>  <DOI>
10.3390/M1129

$$$$

File : molbank-2020-M1128-s003.mol

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>  <MOL_ID>
molbank-2020-M1128-s003

>  <DOI>
10.3390/M1128

$$$$

File : molbank-2020-M1128-s003-mod.mol

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>  <MOL_ID>
molbank-2020-M1128-s003-mod

>  <DOI>
10.3390/M1128

$$$$

File : molbank-2020-M1128-s002.mol

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>  <MOL_ID>
molbank-2020-M1128-s002

>  <DOI>
10.3390/M1128

$$$$

File : molbank-2020-M1128-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1128-s002-mod

>  <DOI>
10.3390/M1128

$$$$

File : molbank-2020-M1127-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 24 1 0 0
M  V30 BEGIN ATOM
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M  V30 2 C 0.000000 0.203475 0.000000 0
M  V30 3 C 0.714471 -0.209025 0.000000 0
M  V30 4 C 1.428942 0.203475 0.000000 0
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M  V30 6 C 0.714471 1.440975 0.000000 0
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M  V30 10 C -0.714471 -0.209025 0.000000 0
M  V30 11 C 0.714471 2.265975 0.000000 0
M  V30 12 N 0.000000 2.678475 0.000000 0
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M  V30 16 C 0.714471 -1.034025 0.000000 0
M  V30 17 C 0.002403 -1.445137 0.000000 0
M  V30 18 C 0.002403 -2.267362 0.000000 0
M  V30 19 C 0.714471 -2.678475 0.000000 0
M  V30 20 C 1.426539 -2.267362 0.000000 0
M  V30 21 C 1.426539 -1.445137 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 20 21
M  V30 2 1 19 20
M  V30 3 2 18 19
M  V30 4 1 17 18
M  V30 5 2 16 17
M  V30 6 1 16 21
M  V30 7 1 3 16
M  V30 8 2 1 2
M  V30 9 1 2 3
M  V30 10 2 3 4
M  V30 11 1 4 5
M  V30 12 2 5 6
M  V30 13 1 6 1
M  V30 14 1 1 7
M  V30 15 2 7 8
M  V30 16 1 8 9
M  V30 17 2 9 10
M  V30 18 1 10 2
M  V30 19 1 6 11
M  V30 20 1 11 12
M  V30 21 1 12 13
M  V30 22 1 13 7
M  V30 23 2 13 14
M  V30 24 2 11 15
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(6 16 17 18 19 20 21) XBONDS=(1 7) LABEL=Ph CSTATE=(4 7 -
M  V30 0.000000 0.825000 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1127-s003

>  <DOI>
10.3390/M1127

$$$$

File : molbank-2020-M1127-s003-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 24 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.000000 1.028475 0.000000 0
M  V30 2 C 0.000000 0.203475 0.000000 0
M  V30 3 C 0.714471 -0.209025 0.000000 0
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M  V30 5 C 1.428942 1.028475 0.000000 0
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M  V30 18 C 0.002403 -2.267362 0.000000 0
M  V30 19 C 0.714471 -2.678475 0.000000 0
M  V30 20 C 1.426539 -2.267362 0.000000 0
M  V30 21 C 1.426539 -1.445137 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 1 19 20
M  V30 3 2 18 19
M  V30 4 1 17 18
M  V30 5 2 16 17
M  V30 6 1 16 21
M  V30 7 1 3 16
M  V30 8 2 1 2
M  V30 9 1 2 3
M  V30 10 2 3 4
M  V30 11 1 4 5
M  V30 12 2 5 6
M  V30 13 1 6 1
M  V30 14 1 1 7
M  V30 15 2 7 8
M  V30 16 1 8 9
M  V30 17 2 9 10
M  V30 18 1 10 2
M  V30 19 1 6 11
M  V30 20 1 11 12
M  V30 21 1 12 13
M  V30 22 1 13 7
M  V30 23 2 13 14
M  V30 24 2 11 15
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(6 16 17 18 19 20 21) XBONDS=(1 7) LABEL=Ph CSTATE=(4 7 -
M  V30 0.000000 0.825000 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1127-s003-mod

>  <DOI>
10.3390/M1127

$$$$

File : molbank-2020-M1127-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 16 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.000000 0.206250 0.000000 0
M  V30 2 C 0.000000 -0.618750 0.000000 0
M  V30 3 C 0.714471 -1.031250 0.000000 0
M  V30 4 C 1.428942 -0.618750 0.000000 0
M  V30 5 C 1.428942 0.206250 0.000000 0
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M  V30 8 C -1.428942 0.206250 0.000000 0
M  V30 9 C -1.428942 -0.618750 0.000000 0
M  V30 10 C -0.714471 -1.031250 0.000000 0
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M  V30 15 O 1.428942 1.856250 0.000000 0
M  V30 16 Br 0.714471 -1.856250 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 10 2
M  V30 12 1 6 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 7
M  V30 16 2 13 14
M  V30 17 2 11 15
M  V30 18 1 3 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1127-s002

>  <DOI>
10.3390/M1127

$$$$

File : molbank-2020-M1127-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 16 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C  -0.039121 3.851509 0.022633 0
M  V30 2 C  -1.256210 3.139649 0.030875 0
M  V30 3 C  -1.222250 1.732758 0.017326 0
M  V30 4 C  -0.012570 1.075817 0.007956 0
M  V30 5 C  1.189658 1.771705 0.000215 0
M  V30 6 C  1.193307 3.159254 0.007637 0
M  V30 7 C  -0.041969 5.265236 0.030238 0
M  V30 8 C  -1.255624 5.936597 0.045827 0
M  V30 9 C  -2.448205 5.222983 0.053809 0
M  V30 10 C  -2.464309 3.857639 0.046675 0
M  V30 11 C  2.439927 3.938129 -0.000068 0
M  V30 12 N  2.402388 5.283982 0.007087 0
M  V30 13 C  1.246152 5.973910 0.021793 0
M  V30 14 O  1.267497 7.189855 0.028529 0
M  V30 15 O  3.511703 3.363380 -0.012578 0
M  V30 16 Br -2.835620 0.746395 0.019726 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 2 1 2 3
M  V30 11 1 10 2
M  V30 3 2 3 4
M  V30 18 1 3 16
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 12 1 6 11
M  V30 8 2 7 8
M  V30 15 1 13 7
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 13 1 11 12
M  V30 17 2 11 15
M  V30 14 1 12 13
M  V30 16 2 13 14
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1127-s002-mod

>  <DOI>
10.3390/M1127

$$$$

File : molbank-2020-M1125-s003.mol

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M  END
>  <MOL_ID>
molbank-2020-M1125-s003

>  <DOI>
10.3390/M1125

$$$$

File : molbank-2020-M1125-s003-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1125-s003-mod

>  <DOI>
10.3390/M1125

$$$$

File : molbank-2020-M1125-s002.mol

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>  <MOL_ID>
molbank-2020-M1125-s002

>  <DOI>
10.3390/M1125

$$$$

File : molbank-2020-M1125-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1125-s002-mod

>  <DOI>
10.3390/M1125

$$$$

File : molbank-2020-M1124-s001.mol

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>  <MOL_ID>
molbank-2020-M1124-s001

>  <DOI>
10.3390/M1124

$$$$

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>  <MOL_ID>
molbank-2020-M1124-s001-mod

>  <DOI>
10.3390/M1124

$$$$

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molbank-2020-M1123-s002

>  <DOI>
10.3390/M1123

$$$$

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>  <MOL_ID>
molbank-2020-M1123-s002-mod

>  <DOI>
10.3390/M1123

$$$$

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>  <MOL_ID>
molbank-2020-M1122-s005

>  <DOI>
10.3390/M1122

$$$$

File : molbank-2020-M1122-s005-mod.mol

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>  <MOL_ID>
molbank-2020-M1122-s005-mod

>  <DOI>
10.3390/M1122

$$$$

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M  END
>  <MOL_ID>
molbank-2020-M1122-s004

>  <DOI>
10.3390/M1122

$$$$

File : molbank-2020-M1122-s004-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1122-s004-mod

>  <DOI>
10.3390/M1122

$$$$

File : molbank-2020-M1122-s003.mol

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M  END
>  <MOL_ID>
molbank-2020-M1122-s003

>  <DOI>
10.3390/M1122

$$$$

File : molbank-2020-M1122-s003-mod.mol

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M  STY  1   1 SUP
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M  SAL   1  8  23  24  25  26  27  28  29  30
M  SBL   1  1   8
M  SMT   1 OTBDMS
M  SBV   1   8    0.0000    0.7534
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  8  31  32  33  34  35  36  37  38
M  SBL   2  1  16
M  SMT   2 TBDMS^O
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3 15  39  40  41  42  43  44  45  46  47  48  49  50  51  52  53
M  SAL   3  3  54  55  56
M  SBL   3  1  37
M  SMT   3 ^NHFmoc
M  SBV   3  37    0.7145    0.4125
M  END
>  <MOL_ID>
molbank-2020-M1122-s003-mod

>  <DOI>
10.3390/M1122

$$$$

File : molbank-2020-M1122-s002.mol

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M  STY  1   2 SUP
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M  SAL   2  8  35  36  37  38  39  40  41  42
M  SBL   2  1  16
M  SMT   2 TBDMS^O
M  SBV   2  16    0.0000    0.7534
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3 15  43  44  45  46  47  48  49  50  51  52  53  54  55  56  57
M  SAL   3  3  58  59  60
M  SBL   3  1  37
M  SMT   3 ^NHFmoc
M  SBV   3  37    0.7145    0.4125
M  END
>  <MOL_ID>
molbank-2020-M1122-s002

>  <DOI>
10.3390/M1122

$$$$

File : molbank-2020-M1122-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1122-s002-mod

>  <DOI>
10.3390/M1122

$$$$

File : molbank-2020-M1121-s002.mol

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>  <MOL_ID>
molbank-2020-M1121-s002

>  <DOI>
10.3390/M1121

$$$$

File : molbank-2020-M1121-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1121-s002-mod

>  <DOI>
10.3390/M1121

$$$$

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>  <MOL_ID>
molbank-2020-M1120-s001

>  <DOI>
10.3390/M1120

$$$$

File : molbank-2020-M1120-s001-mod.mol

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>  <MOL_ID>
molbank-2020-M1120-s001-mod

>  <DOI>
10.3390/M1120

$$$$

File : molbank-2020-M1119-s007.mol

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>  <MOL_ID>
molbank-2020-M1119-s007

>  <DOI>
10.3390/M1119

$$$$

File : molbank-2020-M1119-s007-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1119-s007-mod

>  <DOI>
10.3390/M1119

$$$$

File : molbank-2020-M1119-s006.mol

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>  <MOL_ID>
molbank-2020-M1119-s006

>  <DOI>
10.3390/M1119

$$$$

File : molbank-2020-M1119-s006-mod.mol

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>  <MOL_ID>
molbank-2020-M1119-s006-mod

>  <DOI>
10.3390/M1119

$$$$

File : molbank-2020-M1119-s005.mol

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>  <MOL_ID>
molbank-2020-M1119-s005

>  <DOI>
10.3390/M1119

$$$$

File : molbank-2020-M1119-s005-mod.mol

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molbank-2020-M1119-s005-mod

>  <DOI>
10.3390/M1119

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>  <DOI>
10.3390/M1119

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>  <MOL_ID>
molbank-2020-M1119-s004-mod

>  <DOI>
10.3390/M1119

$$$$

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molbank-2020-M1119-s003

>  <DOI>
10.3390/M1119

$$$$

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>  <DOI>
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>  <MOL_ID>
molbank-2020-M1117-s002-mod

>  <DOI>
10.3390/M1117

$$$$

File : molbank-2020-M1116-s001.mol

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>  <MOL_ID>
molbank-2020-M1116-s001

>  <DOI>
10.3390/M1116

$$$$

File : molbank-2020-M1116-s001-mod.mol

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>  <MOL_ID>
molbank-2020-M1116-s001-mod

>  <DOI>
10.3390/M1116

$$$$

File : molbank-2020-M1114-s001.mol

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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1114-s001

>  <DOI>
10.3390/M1114

$$$$

File : molbank-2020-M1113-s001.mol

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M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1113-s001

>  <DOI>
10.3390/M1113

$$$$

File : molbank-2020-M1112-s002.mol

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>  <MOL_ID>
molbank-2020-M1112-s002

>  <DOI>
10.3390/M1112

$$$$

File : molbank-2020-M1112-s002-mod.mol

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>  <MOL_ID>
molbank-2020-M1112-s002-mod

>  <DOI>
10.3390/M1112

$$$$

File : molbank-2020-M1111-s002.mol

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M  END
>  <MOL_ID>
molbank-2020-M1111-s002

>  <DOI>
10.3390/M1111

$$$$

File : molbank-2020-M1111-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1111-s002-mod

>  <DOI>
10.3390/M1111

$$$$

File : molbank-2020-M1110-s008.mol

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>  <MOL_ID>
molbank-2020-M1110-s008

>  <DOI>
10.3390/M1110

$$$$

File : molbank-2020-M1110-s007.mol

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>  <MOL_ID>
molbank-2020-M1110-s007

>  <DOI>
10.3390/M1110

$$$$

File : molbank-2020-M1110-s006.mol

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>  <MOL_ID>
molbank-2020-M1110-s006

>  <DOI>
10.3390/M1110

$$$$

File : molbank-2020-M1110-s005.mol

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>  <MOL_ID>
molbank-2020-M1110-s005

>  <DOI>
10.3390/M1110

$$$$

File : molbank-2020-M1110-s004.mol

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>  <MOL_ID>
molbank-2020-M1110-s004

>  <DOI>
10.3390/M1110

$$$$

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>  <MOL_ID>
molbank-2020-M1110-s003

>  <DOI>
10.3390/M1110

$$$$

File : molbank-2020-M1110-s002.mol

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>  <MOL_ID>
molbank-2020-M1110-s002

>  <DOI>
10.3390/M1110

$$$$

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>  <DOI>
10.3390/M1109

$$$$

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>  <DOI>
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$$$$

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 16 11  1  0
 12 17  1  1
 17 18  1  0
  1 10  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  19  20  21  22
M  SBL   1  1   4
M  SMT   1 ^CO2Me
M  SBV   1   4    0.7589   -1.3144
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  23  24  25  26
M  SBL   2  1   8
M  SMT   2 ^CO2Me
M  SBV   2   8    0.7589    1.3144
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  27  28  29  30
M  SBL   3  1  12
M  SMT   3 ^CO2Me
M  SBV   3  12    0.4690   -1.4434
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  31  32  33  34
M  SBL   4  1  16
M  SMT   4 CO2Me
M  SBV   4  16   -1.3190   -0.7615
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  35  36
M  SBL   5  1  18
M  SMT   5 OMe
M  SBV   5  18   -1.3144    0.7589
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  37  38
M  SBL   6  1  20
M  SMT   6 OMe
M  SBV   6  20    0.0000    1.5177
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  39  40
M  SBL   7  1  22
M  SMT   7 ^OMe
M  SBV   7  22    0.4690    1.4434
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  2  41  42
M  SBL   8  1  24
M  SMT   8 OMe
M  SBV   8  24    0.0000   -1.5177
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  2  43  44
M  SBL   9  1  26
M  SMT   9 ^OMe
M  SBV   9  26    1.4845    0.3156
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  2  45  46
M  SBL  10  1  28
M  SMT  10 OMe
M  SBV  10  28   -1.4711    0.3942
M  END
>  <MOL_ID>
molbank-2020-M1107-s002

>  <DOI>
10.3390/M1107

$$$$

File : molbank-2020-M1108-s002.mol

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M  END
>  <MOL_ID>
molbank-2020-M1108-s002

>  <DOI>
10.3390/M1108

$$$$

File : molbank-2020-M1108-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2020-M1108-s002-mod

>  <DOI>
10.3390/M1108

$$$$

File : molbank-2020-M1106-s001.mol

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>  <MOL_ID>
molbank-2020-M1106-s001

>  <DOI>
10.3390/M1106

$$$$

File : molbank-2020-M1105-s005.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 41 0 0 1
M  V30 BEGIN ATOM
M  V30 1 * -3.848439 0.157995 -0.020624 0
M  V30 2 C -4.893182 0.292924 -0.100983 0
M  V30 3 C -5.060719 -0.649228 0.045700 0
M  V30 4 C -3.549892 -0.464613 0.099035 0
M  V30 5 C -2.458017 0.575825 -0.012592 0
M  V30 6 C -3.280140 1.035723 -0.134389 0
M  V30 7 C -3.694663 -3.368491 0.571789 0
M  V30 8 C -2.931600 -3.727155 0.673547 0
M  V30 9 C -1.269000 -2.959466 0.638772 0
M  V30 10 C -1.007163 -2.130553 0.516070 0
M  V30 11 C -2.497617 -2.382969 0.475093 0
M  V30 12 * -2.279792 -2.913952 0.575103 0
M  V30 13 Fe -2.843404 -1.612000 -0.012592 0
M  V30 14 P -1.014072 1.060137 -0.012592 0
M  V30 15 C -0.246244 2.433987 -0.012592 0
M  V30 16 * 1.524552 0.185031 -0.012592 0
M  V30 17 C 1.674612 -0.860738 -0.012592 0
M  V30 18 C 2.637165 -0.757160 -0.012592 0
M  V30 19 C 2.050387 0.648266 -0.012592 0
M  V30 20 C 0.743116 1.408666 -0.012592 0
M  V30 21 C 0.516768 0.486172 -0.012592 0
M  V30 22 C 4.917034 1.325976 -0.012592 0
M  V30 23 C 5.060719 2.163004 -0.012592 0
M  V30 24 C 3.865287 3.550716 -0.012592 0
M  V30 25 C 2.987596 3.569973 -0.012592 0
M  V30 26 C 3.634907 2.203285 -0.012592 0
M  V30 27 * 4.093271 2.562865 -0.012592 0
M  V30 28 Fe 2.894546 1.476721 -0.012592 0
M  V30 29 C 0.864144 2.666046 -1.028814 0
M  V30 30 C 1.647143 3.972294 -1.016223 0
M  V30 31 C 1.319752 5.046481 0.012589 0
M  V30 32 C 0.209363 4.814422 1.028814 0
M  V30 33 C -0.573637 3.508176 1.016223 0
M  V30 34 C 1.315270 -2.036446 -0.012592 0
M  V30 35 C 2.094732 -3.089782 0.763584 0
M  V30 36 C -3.209196 2.537267 -0.379060 0
M  V30 37 C -4.216845 3.371092 0.401257 0
M  V30 38 O 0.178085 -2.546561 -0.887873 0
M  V30 39 C -0.124564 -4.037872 -0.950546 0
M  V30 40 C 1.016591 -5.046481 -0.950546 0
M  V30 41 O -1.568624 -4.521835 -0.950546 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 2 3 5 6 4) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 9 10 8 11 7) ATTACH=ANY
M  V30 13 1 14 5 CFG=3
M  V30 14 1 14 15 CFG=1
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 18 17 19 21 20) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 22 25 23 24 26) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 1 34 35 CFG=1
M  V30 36 1 6 36
M  V30 37 2 36 37
M  V30 38 1 34 38
M  V30 39 1 38 39
M  V30 40 1 39 40
M  V30 41 2 39 41
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 34)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1105-s005

>  <DOI>
10.3390/M1105

$$$$

File : molbank-2020-M1105-s004.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 38 0 0 1
M  V30 BEGIN ATOM
M  V30 1 * -3.848438 -0.501669 -0.020625 0
M  V30 2 C -4.893183 -0.366740 -0.100984 0
M  V30 3 C -5.060719 -1.308892 0.045700 0
M  V30 4 C -3.549892 -1.124276 0.099036 0
M  V30 5 C -2.458016 -0.083837 -0.012592 0
M  V30 6 C -3.280140 0.376059 -0.134390 0
M  V30 7 C -3.694665 -4.028152 0.571789 0
M  V30 8 C -2.931601 -4.386818 0.673547 0
M  V30 9 C -1.269000 -3.619130 0.638773 0
M  V30 10 C -1.007164 -2.790216 0.516071 0
M  V30 11 C -2.497617 -3.042632 0.475093 0
M  V30 12 * -2.279791 -3.573617 0.575104 0
M  V30 13 Fe -2.843403 -2.271664 -0.012592 0
M  V30 14 P -1.014073 0.400475 -0.012592 0
M  V30 15 C -0.246245 1.774322 -0.012592 0
M  V30 16 * 1.524552 -0.474633 -0.012592 0
M  V30 17 C 1.674611 -1.520402 -0.012592 0
M  V30 18 C 2.637164 -1.416821 -0.012592 0
M  V30 19 C 2.050387 -0.011397 -0.012592 0
M  V30 20 C 0.743116 0.749002 -0.012592 0
M  V30 21 C 0.516767 -0.173492 -0.012592 0
M  V30 22 C 4.917034 0.666313 -0.012592 0
M  V30 23 C 5.060719 1.503340 -0.012592 0
M  V30 24 C 3.865287 2.891053 -0.012592 0
M  V30 25 C 2.987597 2.910309 -0.012592 0
M  V30 26 C 3.634906 1.543623 -0.012592 0
M  V30 27 * 4.093270 1.903201 -0.012592 0
M  V30 28 Fe 2.894546 0.817057 -0.012592 0
M  V30 29 C 0.864144 2.006382 -1.028815 0
M  V30 30 C 1.647141 3.312630 -1.016223 0
M  V30 31 C 1.319753 4.386818 0.012589 0
M  V30 32 C 0.209363 4.154759 1.028815 0
M  V30 33 C -0.573637 2.848512 1.016223 0
M  V30 34 C 1.526797 -2.696110 -0.012592 0
M  V30 35 C 2.603719 -3.773032 -0.012592 0
M  V30 36 C -3.209195 1.877604 -0.379061 0
M  V30 37 C -4.216847 2.711428 0.401257 0
M  V30 38 O 0.553769 -4.015064 -0.012592 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 6 2 3 4 5) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 10 11 9 8 7) ATTACH=ANY
M  V30 13 1 14 5 CFG=3
M  V30 14 1 14 15 CFG=1
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 17 18 19 21 20) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 26 23 24 25 22) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 1 34 35 CFG=1
M  V30 36 1 6 36
M  V30 37 2 36 37
M  V30 38 1 34 38
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 34)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1105-s004

>  <DOI>
10.3390/M1105

$$$$

File : molbank-2020-M1105-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 39 0 0 1
M  V30 BEGIN ATOM
M  V30 1 * -2.990379 4.798248 -0.290203 0
M  V30 2 C -4.017659 5.031464 -0.370562 0
M  V30 3 C -4.273627 4.109402 -0.223879 0
M  V30 4 C -2.752109 4.150176 -0.170544 0
M  V30 5 C -1.566649 5.082588 -0.282171 0
M  V30 6 C -2.341549 5.618239 -0.403968 0
M  V30 7 C -3.171107 1.273042 0.302210 0
M  V30 8 C -2.445420 0.843757 0.403968 0
M  V30 9 C -0.717617 1.450620 0.369193 0
M  V30 10 C -0.378495 2.251026 0.246491 0
M  V30 11 C -1.886147 2.140829 0.205514 0
M  V30 12 * -1.719561 1.591609 0.305525 0
M  V30 13 Fe -2.240436 3.017947 -0.282171 0
M  V30 14 * 1.421019 -1.577525 -0.290203 0
M  V30 15 C 0.743315 -0.771046 -0.370562 0
M  V30 16 C -0.017725 -1.351163 -0.223879 0
M  V30 17 C 1.219355 -2.237906 -0.170544 0
M  V30 18 C 2.727330 -2.211097 -0.282171 0
M  V30 19 C 2.433456 -1.316094 -0.403968 0
M  V30 20 C -0.852767 -4.277457 0.302210 0
M  V30 21 C -0.533845 -5.057968 0.403968 0
M  V30 22 C 1.209623 -5.618239 0.369193 0
M  V30 23 C 1.963430 -5.185307 0.246491 0
M  V30 24 C 0.695452 -4.362264 0.205514 0
M  V30 25 * 0.496387 -4.900560 0.305525 0
M  V30 26 Fe 0.943049 -3.449270 -0.282171 0
M  V30 27 C -1.405625 -1.623910 -0.282171 0
M  V30 28 P 0.904113 0.687338 -0.370562 0
M  V30 29 C -3.147236 -0.223301 0.403968 0
M  V30 30 C -1.799806 -3.095014 -0.282171 0
M  V30 31 C -2.682256 -1.287954 -0.282171 0
M  V30 32 C 1.834122 1.893409 -0.370562 0
M  V30 33 O 2.353286 0.218914 -0.370562 0
M  V30 34 C 3.343616 1.691034 -0.282171 0
M  V30 35 C 4.273627 2.897105 -0.282171 0
M  V30 36 C 3.694143 4.305554 -0.282171 0
M  V30 37 C 2.184649 4.507931 -0.282171 0
M  V30 38 C 1.254638 3.301858 -0.282171 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 2 5 3 4 6) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 8 7 9 10 11) ATTACH=ANY
M  V30 13 1 14 26 CFG=3 ENDPTS=(5 15 16 17 19 18) ATTACH=ANY
M  V30 14 4 15 16
M  V30 15 4 16 17
M  V30 16 4 18 17
M  V30 17 4 18 19
M  V30 18 4 15 19
M  V30 19 4 20 21
M  V30 20 4 21 22
M  V30 21 4 23 22
M  V30 22 4 23 24
M  V30 23 4 20 24
M  V30 24 1 26 25 CFG=3 ENDPTS=(5 23 20 21 22 24) ATTACH=ANY
M  V30 25 1 16 27
M  V30 26 1 15 28
M  V30 27 1 9 28
M  V30 28 1 8 29
M  V30 29 1 27 30 CFG=1
M  V30 30 2 29 31
M  V30 31 1 31 27
M  V30 32 1 28 32
M  V30 33 2 28 33
M  V30 34 2 32 34
M  V30 35 1 34 35
M  V30 36 2 35 36
M  V30 37 1 36 37
M  V30 38 2 37 38
M  V30 39 1 38 32
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 27 28)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1105-s003

>  <DOI>
10.3390/M1105

$$$$

File : molbank-2020-M1105-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 37 37 0 0 0
M  V30 BEGIN ATOM
M  V30 1 * -3.848439 -0.501669 -0.020624 0
M  V30 2 C -4.893182 -0.366740 -0.100983 0
M  V30 3 C -5.060719 -1.308892 0.045700 0
M  V30 4 C -3.549892 -1.124277 0.099035 0
M  V30 5 C -2.458017 -0.083838 -0.012592 0
M  V30 6 C -3.280140 0.376059 -0.134389 0
M  V30 7 C -3.694665 -4.028153 0.571789 0
M  V30 8 C -2.931601 -4.386817 0.673547 0
M  V30 9 C -1.269000 -3.619130 0.638772 0
M  V30 10 C -1.007164 -2.790217 0.516070 0
M  V30 11 C -2.497617 -3.042633 0.475093 0
M  V30 12 * -2.279792 -3.573617 0.575103 0
M  V30 13 Fe -2.962388 -2.073357 -0.012592 0
M  V30 14 P -1.014073 0.400474 -0.012592 0
M  V30 15 C -0.246245 1.774322 -0.012592 0
M  V30 16 * 1.524552 -0.474633 -0.012592 0
M  V30 17 C 1.674612 -1.520403 -0.012592 0
M  V30 18 C 2.637165 -1.416822 -0.012592 0
M  V30 19 C 2.050387 -0.011398 -0.012592 0
M  V30 20 C 0.743116 0.749002 -0.012592 0
M  V30 21 C 0.516767 -0.173492 -0.012592 0
M  V30 22 C 4.917034 0.666312 -0.012592 0
M  V30 23 C 5.060719 1.503340 -0.012592 0
M  V30 24 C 3.865287 2.891052 -0.012592 0
M  V30 25 C 2.987596 2.910308 -0.012592 0
M  V30 26 C 3.634907 1.543622 -0.012592 0
M  V30 27 * 4.093270 1.903201 -0.012592 0
M  V30 28 Fe 2.894546 0.817057 -0.012592 0
M  V30 29 C 0.864144 2.006381 -1.028814 0
M  V30 30 C 1.647141 3.312630 -1.016223 0
M  V30 31 C 1.319752 4.386817 0.012589 0
M  V30 32 C 0.209363 4.154758 1.028814 0
M  V30 33 C -0.573637 2.848512 1.016223 0
M  V30 34 C 1.315269 -2.696110 -0.012592 0
M  V30 35 C 2.094732 -3.749445 0.763584 0
M  V30 36 C -3.209196 1.877603 -0.379060 0
M  V30 37 C -4.216847 2.711428 0.401257 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 13 CFG=3 ENDPTS=(5 3 2 4 5 6) ATTACH=ANY
M  V30 2 4 2 3
M  V30 3 4 3 4
M  V30 4 4 5 4
M  V30 5 4 5 6
M  V30 6 4 2 6
M  V30 7 4 7 8
M  V30 8 4 8 9
M  V30 9 4 10 9
M  V30 10 4 10 11
M  V30 11 4 7 11
M  V30 12 1 13 12 CFG=3 ENDPTS=(5 10 9 11 8 7) ATTACH=ANY
M  V30 13 1 5 14
M  V30 14 1 14 15
M  V30 15 1 16 28 CFG=3 ENDPTS=(5 18 21 17 19 20) ATTACH=ANY
M  V30 16 4 17 18
M  V30 17 4 18 19
M  V30 18 4 20 19
M  V30 19 4 20 21
M  V30 20 4 17 21
M  V30 21 4 22 23
M  V30 22 4 23 24
M  V30 23 4 25 24
M  V30 24 4 25 26
M  V30 25 4 22 26
M  V30 26 1 28 27 CFG=3 ENDPTS=(5 23 24 25 22 26) ATTACH=ANY
M  V30 27 1 21 14
M  V30 28 2 15 29
M  V30 29 1 29 30
M  V30 30 2 30 31
M  V30 31 1 31 32
M  V30 32 2 32 33
M  V30 33 1 33 15
M  V30 34 1 17 34
M  V30 35 2 34 35
M  V30 36 1 6 36
M  V30 37 2 36 37
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2020-M1105-s002

>  <DOI>
10.3390/M1105

$$$$

File : molbank-2020-M1104-s002.mol

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M  END
>  <MOL_ID>
molbank-2020-M1104-s002

>  <DOI>
10.3390/M1104

$$$$

File : molbank-2020-M1103-s001.mol

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M  END
>  <MOL_ID>
molbank-2020-M1103-s001

>  <DOI>
10.3390/M1103

$$$$

File : molbank-2020-M1102-s001.mol

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>  <MOL_ID>
molbank-2020-M1102-s001

>  <DOI>
10.3390/M1102

$$$$

File : molbank-2020-M1100-s001.mol

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>  <MOL_ID>
molbank-2020-M1100-s001

>  <DOI>
10.3390/M1100

$$$$

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>  <MOL_ID>
molbank-2020-M1099-s001

>  <DOI>
10.3390/M1099

$$$$

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>  <MOL_ID>
molbank-2019-M1098-s001

>  <DOI>
10.3390/M1098

$$$$

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>  <MOL_ID>
molbank-2019-M1097-s002

>  <DOI>
10.3390/M1097

$$$$

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>  <MOL_ID>
molbank-2019-M1097-s002-mod

>  <DOI>
10.3390/M1097

$$$$

File : molbank-2019-M1096-s002.mol

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227228  1  0
226227  1  0
225226  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2   8   9
M  SBL   1  1   2
M  SMT   1 OMe
M  SBV   1   2   -0.4849    0.6674
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  10  11
M  SBL   2  1   4
M  SMT   2 Me^O
M  SBV   2   4    0.4849    0.6674
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  12  13
M  SBL   3  1   6
M  SMT   3 ^OMe
M  SBV   3   6    0.1715   -0.8070
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  22  23
M  SBL   4  1  15
M  SMT   4 OMe
M  SBV   4  15   -0.4849    0.6674
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  24  25
M  SBL   5  1  17
M  SMT   5 Me^O
M  SBV   5  17    0.4849    0.6674
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  26  27
M  SBL   6  1  19
M  SMT   6 ^OMe
M  SBV   6  19    0.1715   -0.8070
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  8  28  29  30  31  32  33  34  35
M  SBL   7  1  28
M  SMT   7 OBn
M  SBV   7  28   -0.4125   -0.7145
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  2  45  46
M  SBL   8  1  38
M  SMT   8 OMe
M  SBV   8  38   -0.4849    0.6674
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  2  47  48
M  SBL   9  1  40
M  SMT   9 Me^O
M  SBV   9  40    0.4849    0.6674
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  2  49  50
M  SBL  10  1  42
M  SMT  10 ^OMe
M  SBV  10  42    0.1715   -0.8070
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  2  63  64
M  SBL  11  1  53
M  SMT  11 OMe
M  SBV  11  53   -0.4849    0.6674
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  2  65  66
M  SBL  12  1  55
M  SMT  12 Me^O
M  SBV  12  55    0.4849    0.6674
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  2  67  68
M  SBL  13  1  57
M  SMT  13 ^OMe
M  SBV  13  57    0.1715   -0.8070
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14  2  81  82
M  SBL  14  1  72
M  SMT  14 OMe
M  SBV  14  72   -0.4849    0.6674
M  STY  1  15 SUP
M  SLB  1  15  15
M  SAL  15  2  83  84
M  SBL  15  1  74
M  SMT  15 Me^O
M  SBV  15  74    0.4849    0.6674
M  STY  1  16 SUP
M  SLB  1  16  16
M  SAL  16  2  85  86
M  SBL  16  1  76
M  SMT  16 ^OMe
M  SBV  16  76    0.1715   -0.8070
M  STY  1  17 SUP
M  SLB  1  17  17
M  SAL  17  2  94  95
M  SBL  17  1  91
M  SMT  17 OMe
M  SBV  17  91   -0.4849    0.6674
M  STY  1  18 SUP
M  SLB  1  18  18
M  SAL  18  2  96  97
M  SBL  18  1  93
M  SMT  18 Me^O
M  SBV  18  93    0.4849    0.6674
M  STY  1  19 SUP
M  SLB  1  19  19
M  SAL  19  2  98  99
M  SBL  19  1  95
M  SMT  19 ^OMe
M  SBV  19  95    0.1715   -0.8070
M  STY  1  20 SUP
M  SLB  1  20  20
M  SAL  20  2 108 109
M  SBL  20  1 104
M  SMT  20 OMe
M  SBV  20 104   -0.4849    0.6674
M  STY  1  21 SUP
M  SLB  1  21  21
M  SAL  21  2 110 111
M  SBL  21  1 106
M  SMT  21 Me^O
M  SBV  21 106    0.4849    0.6674
M  STY  1  22 SUP
M  SLB  1  22  22
M  SAL  22  2 112 113
M  SBL  22  1 108
M  SMT  22 ^OMe
M  SBV  22 108    0.1715   -0.8070
M  STY  1  23 SUP
M  SLB  1  23  23
M  SAL  23  8 114 115 116 117 118 119 120 121
M  SBL  23  1 117
M  SMT  23 OBn
M  SBV  23 117   -0.4125   -0.7145
M  STY  1  24 SUP
M  SLB  1  24  24
M  SAL  24  2 131 132
M  SBL  24  1 127
M  SMT  24 OMe
M  SBV  24 127   -0.4849    0.6674
M  STY  1  25 SUP
M  SLB  1  25  25
M  SAL  25  2 133 134
M  SBL  25  1 129
M  SMT  25 Me^O
M  SBV  25 129    0.4849    0.6674
M  STY  1  26 SUP
M  SLB  1  26  26
M  SAL  26  2 135 136
M  SBL  26  1 131
M  SMT  26 ^OMe
M  SBV  26 131    0.1715   -0.8070
M  STY  1  27 SUP
M  SLB  1  27  27
M  SAL  27  2 149 150
M  SBL  27  1 142
M  SMT  27 OMe
M  SBV  27 142   -0.4849    0.6674
M  STY  1  28 SUP
M  SLB  1  28  28
M  SAL  28  2 151 152
M  SBL  28  1 144
M  SMT  28 Me^O
M  SBV  28 144    0.4849    0.6674
M  STY  1  29 SUP
M  SLB  1  29  29
M  SAL  29  2 153 154
M  SBL  29  1 146
M  SMT  29 ^OMe
M  SBV  29 146    0.1715   -0.8070
M  STY  1  30 SUP
M  SLB  1  30  30
M  SAL  30  2 167 168
M  SBL  30  1 161
M  SMT  30 OMe
M  SBV  30 161   -0.4849    0.6674
M  STY  1  31 SUP
M  SLB  1  31  31
M  SAL  31  2 169 170
M  SBL  31  1 163
M  SMT  31 Me^O
M  SBV  31 163    0.4849    0.6674
M  STY  1  32 SUP
M  SLB  1  32  32
M  SAL  32  2 171 172
M  SBL  32  1 165
M  SMT  32 ^OMe
M  SBV  32 165    0.1715   -0.8070
M  STY  1  33 SUP
M  SLB  1  33  33
M  SAL  33  2 180 181
M  SBL  33  1 180
M  SMT  33 OMe
M  SBV  33 180   -0.4849    0.6674
M  STY  1  34 SUP
M  SLB  1  34  34
M  SAL  34  2 182 183
M  SBL  34  1 182
M  SMT  34 Me^O
M  SBV  34 182    0.4849    0.6674
M  STY  1  35 SUP
M  SLB  1  35  35
M  SAL  35  2 184 185
M  SBL  35  1 184
M  SMT  35 ^OMe
M  SBV  35 184    0.1715   -0.8070
M  STY  1  36 SUP
M  SLB  1  36  36
M  SAL  36  8 194 195 196 197 198 199 200 201
M  SBL  36  1 200
M  SMT  36 OBn
M  SBV  36 200   -0.4849    0.6674
M  STY  1  37 SUP
M  SLB  1  37  37
M  SAL  37  8 202 203 204 205 206 207 208 209
M  SBL  37  1 209
M  SMT  37 Bn^O
M  SBV  37 209    0.4849    0.6674
M  STY  1  38 SUP
M  SLB  1  38  38
M  SAL  38  8 210 211 212 213 214 215 216 217
M  SBL  38  1 218
M  SMT  38 ^OBn
M  SBV  38 218    0.1715   -0.8070
M  STY  1  39 SUP
M  SLB  1  39  39
M  SAL  39  7 218 219 220 221 222 223 224
M  SBL  39  1 225
M  SMT  39 OMEM
M  SBV  39 225   -0.4125   -0.7145
M  STY  1  40 SUP
M  SLB  1  40  40
M  SAL  40 15 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239
M  SAL  40  6 240 241 242 243 244 245
M  SMT  40 Bu3SnCH2OMEM
M  END
>  <MOL_ID>
molbank-2019-M1096-s002

>  <DOI>
10.3390/M1096

$$$$

File : molbank-2019-M1095-s003.mol

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molbank-2019-M1095-s003

>  <DOI>
10.3390/M1095

$$$$

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>  <MOL_ID>
molbank-2019-M1095-s003-mod

>  <DOI>
10.3390/M1095

$$$$

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molbank-2019-M1095-s002

>  <DOI>
10.3390/M1095

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>  <MOL_ID>
molbank-2019-M1095-s002-mod

>  <DOI>
10.3390/M1095

$$$$

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>  <MOL_ID>
molbank-2019-M1094-s002

>  <DOI>
10.3390/M1094

$$$$

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>  <MOL_ID>
molbank-2019-M1093-s002

>  <DOI>
10.3390/M1093

$$$$

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>  <MOL_ID>
molbank-2019-M1092-s001

>  <DOI>
10.3390/M1092

$$$$

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>  <MOL_ID>
molbank-2019-M1091-s002

>  <DOI>
10.3390/M1091

$$$$

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>  <MOL_ID>
molbank-2019-M1090-s001

>  <DOI>
10.3390/M1090

$$$$

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>  <MOL_ID>
molbank-2019-M1089-s002

>  <DOI>
10.3390/M1089

$$$$

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>  <MOL_ID>
molbank-2019-M1088-s001

>  <DOI>
10.3390/M1088

$$$$

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molbank-2019-M1087-s002

>  <DOI>
10.3390/M1087

$$$$

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molbank-2019-M1086-s005

>  <DOI>
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$$$$

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molbank-2019-M1086-s004

>  <DOI>
10.3390/M1086

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>  <DOI>
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$$$$

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molbank-2019-M1086-s002

>  <DOI>
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$$$$

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molbank-2019-M1085-s003

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$$$$

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molbank-2019-M1085-s002

>  <DOI>
10.3390/M1085

$$$$

File : molbank-2019-M1084-s002.mol

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>  <MOL_ID>
molbank-2019-M1084-s002

>  <DOI>
10.3390/M1084

$$$$

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>  <MOL_ID>
molbank-2019-M1083-s002

>  <DOI>
10.3390/M1083

$$$$

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>  <MOL_ID>
molbank-2019-M1083-s002-mod

>  <DOI>
10.3390/M1083

$$$$

File : molbank-2019-M1082-s001.mol

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>  <MOL_ID>
molbank-2019-M1082-s001

>  <DOI>
10.3390/M1082

$$$$

File : molbank-2019-M1081-s002.mol

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>  <MOL_ID>
molbank-2019-M1081-s002

>  <DOI>
10.3390/M1081

$$$$

File : molbank-2019-M1081-s002-mod.mol

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>  <MOL_ID>
molbank-2019-M1081-s002-mod

>  <DOI>
10.3390/M1081

$$$$

File : molbank-2019-M1080-s002.mol

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>  <MOL_ID>
molbank-2019-M1080-s002

>  <DOI>
10.3390/M1080

$$$$

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>  <MOL_ID>
molbank-2019-M1079-s002

>  <DOI>
10.3390/M1079

$$$$

File : molbank-2019-M1078-s010.mol

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M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1078-s010

>  <DOI>
10.3390/M1078

$$$$

File : molbank-2019-M1078-s009.mol

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M  V30 13 C -2.205289 0.786272 0.000000 0
M  V30 14 C -2.919761 0.373771 0.000000 0
M  V30 15 C -0.776345 -0.863731 0.000000 0
M  V30 16 C -0.061874 -0.451231 0.000000 0
M  V30 17 C -0.061874 0.373771 0.000000 0
M  V30 18 C -0.776345 0.786272 0.000000 0
M  V30 19 C 0.652599 -0.038729 0.000000 0
M  V30 20 C -4.761206 -2.815704 0.000000 0
M  V30 21 C -3.936205 -2.815704 0.000000 0
M  V30 22 C -3.634233 -0.038729 0.000000 0
M  V30 23 C -2.205289 -0.038729 0.000000 0
M  V30 24 C -1.490818 -1.276231 0.000000 0
M  V30 25 O -5.653899 -2.059982 0.000000 0
M  V30 26 H -3.634233 -2.513733 0.000000 0
M  V30 27 H -2.919761 -1.276231 0.000000 0
M  V30 28 H -0.776345 -0.038729 0.000000 0
M  V30 29 C 0.652598 0.786272 0.000000 0
M  V30 30 C 0.652598 1.611273 0.000000 0
M  V30 31 C -0.056815 2.023773 0.000000 0
M  V30 32 C -0.776345 1.611273 0.000000 0
M  V30 33 O 0.652599 -0.863730 0.000000 0
M  V30 34 N 1.367070 0.373771 0.000000 0
M  V30 35 C 2.081542 -0.038729 0.000000 0
M  V30 36 C 2.796013 0.373771 0.000000 0
M  V30 37 N 3.510485 -0.038729 0.000000 0
M  V30 38 C 4.224956 0.373771 0.000000 0
M  V30 39 C 4.939427 -0.038729 0.000000 0
M  V30 40 N 5.653899 0.373771 0.000000 0
M  V30 41 C -0.530708 2.815704 0.000000 0
M  V30 42 C 0.438667 2.795079 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 9 11
M  V30 13 1 11 12
M  V30 14 2 12 13
M  V30 15 1 13 14
M  V30 16 1 14 10
M  V30 17 1 11 15
M  V30 18 1 15 16
M  V30 19 1 16 17
M  V30 20 1 17 18
M  V30 21 1 18 12
M  V30 22 1 17 19 CFG=1
M  V30 23 1 3 20
M  V30 24 1 3 21
M  V30 25 1 5 22 CFG=1
M  V30 26 1 9 23 CFG=1
M  V30 27 1 11 24 CFG=3
M  V30 28 2 2 25
M  V30 29 1 4 26 CFG=3
M  V30 30 1 10 27 CFG=3
M  V30 31 1 18 28 CFG=1
M  V30 32 1 17 29
M  V30 33 1 29 30
M  V30 34 1 30 31
M  V30 35 1 31 32
M  V30 36 1 32 18
M  V30 37 2 19 33
M  V30 38 1 19 34
M  V30 39 1 34 35
M  V30 40 1 35 36
M  V30 41 1 36 37
M  V30 42 1 37 38
M  V30 43 1 38 39
M  V30 44 1 39 40
M  V30 45 1 31 41
M  V30 46 1 31 42
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1078-s009

>  <DOI>
10.3390/M1078

$$$$

File : molbank-2019-M1078-s008.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 47 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.631289 -1.650001 0.000000 0
M  V30 2 C -3.631289 -0.825000 0.000000 0
M  V30 3 C -2.916817 -2.062502 0.000000 0
M  V30 4 C -2.202346 -1.650001 0.000000 0
M  V30 5 C -2.202346 -0.825000 0.000000 0
M  V30 6 C -2.916817 -0.412500 0.000000 0
M  V30 7 C -1.487874 -0.412500 0.000000 0
M  V30 8 C -1.487874 0.412500 0.000000 0
M  V30 9 C -2.202346 0.825001 0.000000 0
M  V30 10 C -2.916817 0.412500 0.000000 0
M  V30 11 C -0.773403 -0.825000 0.000000 0
M  V30 12 C -0.058932 -0.412500 0.000000 0
M  V30 13 C -0.058932 0.412500 0.000000 0
M  V30 14 C -0.773403 0.825001 0.000000 0
M  V30 15 C 0.655540 0.000000 0.000000 0
M  V30 16 C -3.631289 0.000000 0.000000 0
M  V30 17 C -2.202346 0.000000 0.000000 0
M  V30 18 C -1.487874 -1.237500 0.000000 0
M  V30 19 H -3.631289 -2.475002 0.000000 0
M  V30 20 H -2.916817 -1.237500 0.000000 0
M  V30 21 H -0.773403 0.000000 0.000000 0
M  V30 22 N 1.238904 0.583364 0.000000 0
M  V30 23 C 1.822268 0.000000 0.000000 0
M  V30 24 C 2.405631 0.583364 0.000000 0
M  V30 25 C 2.988994 0.000000 0.000000 0
M  V30 26 N 3.572359 0.583364 0.000000 0
M  V30 27 C 4.155722 0.000000 0.000000 0
M  V30 28 C 4.739086 0.583364 0.000000 0
M  V30 29 C 5.322449 0.000000 0.000000 0
M  V30 30 C 5.905812 0.583364 0.000000 0
M  V30 31 N 6.489175 0.000000 0.000000 0
M  V30 32 C 0.655539 0.825001 0.000000 0
M  V30 33 C 0.655539 1.650001 0.000000 0
M  V30 34 C -0.058932 2.062502 0.000000 0
M  V30 35 C -0.773403 1.650001 0.000000 0
M  V30 36 C -1.487875 2.062501 0.000000 0
M  V30 37 C -4.345761 -0.412500 0.000000 0
M  V30 38 C -5.060232 -0.825000 0.000000 0
M  V30 39 C -5.060232 -1.650001 0.000000 0
M  V30 40 C -4.345761 -2.062502 0.000000 0
M  V30 41 C -4.345761 -2.887503 0.000000 0
M  V30 42 C -5.774704 -0.412500 0.000000 0
M  V30 43 N -6.489175 -0.825000 0.000000 0
M  V30 44 C -0.058932 2.887503 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 2
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 6
M  V30 12 1 7 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 14 8
M  V30 17 1 13 15 CFG=1
M  V30 18 1 2 16 CFG=1
M  V30 19 1 5 17 CFG=1
M  V30 20 1 7 18 CFG=3
M  V30 21 1 1 19 CFG=3
M  V30 22 1 6 20 CFG=3
M  V30 23 1 14 21 CFG=1
M  V30 24 2 15 22
M  V30 25 1 22 23
M  V30 26 1 23 24
M  V30 27 1 24 25
M  V30 28 1 25 26
M  V30 29 1 26 27
M  V30 30 1 27 28
M  V30 31 1 28 29
M  V30 32 1 29 30
M  V30 33 1 30 31
M  V30 34 1 13 32
M  V30 35 1 32 33
M  V30 36 1 33 34
M  V30 37 1 34 35
M  V30 38 1 35 14
M  V30 39 1 35 36 CFG=1
M  V30 40 1 2 37
M  V30 41 1 37 38
M  V30 42 1 39 40
M  V30 43 1 40 1
M  V30 44 2 40 41
M  V30 45 1 38 42
M  V30 46 1 42 43
M  V30 47 1 34 44 CFG=3
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1078-s008

>  <DOI>
10.3390/M1078

$$$$

File : molbank-2019-M1078-s007.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 35 39 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.857888 -0.940199 0.000000 0
M  V30 2 C -2.857888 -1.765200 0.000000 0
M  V30 3 C -2.143415 -2.177700 0.000000 0
M  V30 4 C -1.428943 -1.765200 0.000000 0
M  V30 5 C -1.428943 -0.940199 0.000000 0
M  V30 6 C -2.143415 -0.527699 0.000000 0
M  V30 7 C -0.714471 -2.177700 0.000000 0
M  V30 8 C 0.000000 -1.765200 0.000000 0
M  V30 9 C 0.000000 -0.940199 0.000000 0
M  V30 10 C -0.714471 -0.527699 0.000000 0
M  V30 11 C 0.714472 -0.527699 0.000000 0
M  V30 12 C 0.714472 0.297302 0.000000 0
M  V30 13 C 0.000000 0.709804 0.000000 0
M  V30 14 C -0.714471 0.297302 0.000000 0
M  V30 15 C 1.428945 -0.940199 0.000000 0
M  V30 16 C 2.143417 -0.527699 0.000000 0
M  V30 17 C 2.143417 0.297302 0.000000 0
M  V30 18 C 1.428945 0.709804 0.000000 0
M  V30 19 C 2.857888 -0.115198 0.000000 0
M  V30 20 C -1.428943 -0.115198 0.000000 0
M  V30 21 C 0.000000 -0.115198 0.000000 0
M  V30 22 C 0.714472 -1.352699 0.000000 0
M  V30 23 H -1.428943 -2.590202 0.000000 0
M  V30 24 H -0.714471 -1.352699 0.000000 0
M  V30 25 H 1.428945 -0.115198 0.000000 0
M  V30 26 C 2.857888 0.709804 0.000000 0
M  V30 27 C 2.857888 1.534805 0.000000 0
M  V30 28 C 2.143417 1.947305 0.000000 0
M  V30 29 C 1.428945 1.534805 0.000000 0
M  V30 30 C 0.714472 1.947305 0.000000 0
M  V30 31 C 2.143417 2.772306 0.000000 0
M  V30 32 O 3.572360 0.297303 0.000000 0
M  V30 33 O -3.572360 -2.177702 0.000000 0
M  V30 34 C -2.599420 -2.772306 0.000000 0
M  V30 35 C -1.712545 -2.772306 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 3
M  V30 2 1 3 4
M  V30 3 1 4 5
M  V30 4 1 5 6
M  V30 5 1 6 1
M  V30 6 1 4 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 5
M  V30 11 1 9 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 1 14 10
M  V30 16 1 11 15
M  V30 17 1 15 16
M  V30 18 1 16 17
M  V30 19 1 17 18
M  V30 20 1 18 12
M  V30 21 1 17 19 CFG=1
M  V30 22 1 5 20 CFG=1
M  V30 23 1 9 21 CFG=1
M  V30 24 1 11 22 CFG=3
M  V30 25 1 4 23 CFG=3
M  V30 26 1 10 24 CFG=3
M  V30 27 1 18 25 CFG=1
M  V30 28 1 17 26
M  V30 29 1 26 27
M  V30 30 1 27 28
M  V30 31 1 28 29
M  V30 32 1 29 18
M  V30 33 1 29 30 CFG=1
M  V30 34 1 28 31 CFG=3
M  V30 35 1 19 32
M  V30 36 2 2 33
M  V30 37 1 2 1
M  V30 38 1 3 34
M  V30 39 1 3 35
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1078-s007

>  <DOI>
10.3390/M1078

$$$$

File : molbank-2019-M1078-s006.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 35 39 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.857888 -0.911018 0.000000 0
M  V30 2 C -2.857888 -1.736020 0.000000 0
M  V30 3 C -2.143415 -2.148520 0.000000 0
M  V30 4 C -1.428943 -1.736020 0.000000 0
M  V30 5 C -1.428943 -0.911018 0.000000 0
M  V30 6 C -2.143415 -0.498518 0.000000 0
M  V30 7 C -0.714471 -2.148520 0.000000 0
M  V30 8 C 0.000000 -1.736020 0.000000 0
M  V30 9 C 0.000000 -0.911018 0.000000 0
M  V30 10 C -0.714471 -0.498518 0.000000 0
M  V30 11 C 0.714472 -0.498518 0.000000 0
M  V30 12 C 0.714472 0.326483 0.000000 0
M  V30 13 C 0.000000 0.738984 0.000000 0
M  V30 14 C -0.714471 0.326483 0.000000 0
M  V30 15 C 1.428945 -0.911018 0.000000 0
M  V30 16 C 2.143417 -0.498518 0.000000 0
M  V30 17 C 2.143417 0.326483 0.000000 0
M  V30 18 C 1.428945 0.738984 0.000000 0
M  V30 19 C 2.857888 -0.086017 0.000000 0
M  V30 20 C -1.428943 -0.086017 0.000000 0
M  V30 21 C 0.000000 -0.086017 0.000000 0
M  V30 22 C 0.714472 -1.323519 0.000000 0
M  V30 23 H -1.428943 -2.561021 0.000000 0
M  V30 24 H -0.714471 -1.323519 0.000000 0
M  V30 25 H 1.428945 -0.086017 0.000000 0
M  V30 26 C 2.857888 0.738984 0.000000 0
M  V30 27 C 2.857888 1.563986 0.000000 0
M  V30 28 C 2.143417 1.976486 0.000000 0
M  V30 29 C 1.428945 1.563986 0.000000 0
M  V30 30 O 3.572360 0.326484 0.000000 0
M  V30 31 O -3.572360 -2.148521 0.000000 0
M  V30 32 C -2.599420 -2.743125 0.000000 0
M  V30 33 C -1.712545 -2.743125 0.000000 0
M  V30 34 C 1.814330 2.743125 0.000000 0
M  V30 35 C 2.618705 2.722500 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 3
M  V30 2 1 3 4
M  V30 3 1 4 5
M  V30 4 1 5 6
M  V30 5 1 6 1
M  V30 6 1 4 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 5
M  V30 11 1 9 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 1 14 10
M  V30 16 1 11 15
M  V30 17 1 15 16
M  V30 18 1 16 17
M  V30 19 1 17 18
M  V30 20 1 18 12
M  V30 21 1 17 19 CFG=1
M  V30 22 1 5 20 CFG=1
M  V30 23 1 9 21 CFG=1
M  V30 24 1 11 22 CFG=3
M  V30 25 1 4 23 CFG=3
M  V30 26 1 10 24 CFG=3
M  V30 27 1 18 25 CFG=1
M  V30 28 1 17 26
M  V30 29 1 26 27
M  V30 30 1 27 28
M  V30 31 1 28 29
M  V30 32 1 29 18
M  V30 33 1 19 30
M  V30 34 2 2 31
M  V30 35 1 2 1
M  V30 36 1 3 32
M  V30 37 1 3 33
M  V30 38 1 28 34
M  V30 39 1 28 35
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1078-s006

>  <DOI>
10.3390/M1078

$$$$

File : molbank-2019-M1078-s005.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 35 38 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.500652 -0.825001 0.000000 0
M  V30 2 C -2.500652 -1.650003 0.000000 0
M  V30 3 C -1.786180 -2.062503 0.000000 0
M  V30 4 C -1.071708 -1.650003 0.000000 0
M  V30 5 C -1.071708 -0.825001 0.000000 0
M  V30 6 C -1.786180 -0.412501 0.000000 0
M  V30 7 C -0.357236 -2.062503 0.000000 0
M  V30 8 C 0.357236 -1.650003 0.000000 0
M  V30 9 C 0.357236 -0.825001 0.000000 0
M  V30 10 C -0.357236 -0.412501 0.000000 0
M  V30 11 C 1.071707 -0.412501 0.000000 0
M  V30 12 C 1.071707 0.412500 0.000000 0
M  V30 13 C 0.357236 0.825001 0.000000 0
M  V30 14 C -0.357236 0.412500 0.000000 0
M  V30 15 C 1.786180 -0.825001 0.000000 0
M  V30 16 C 2.500652 -0.412501 0.000000 0
M  V30 17 C 2.500652 0.412500 0.000000 0
M  V30 18 C 1.786180 0.825001 0.000000 0
M  V30 19 C 3.215124 -0.000000 0.000000 0
M  V30 20 C -1.071708 -0.000000 0.000000 0
M  V30 21 C 0.357236 -0.000000 0.000000 0
M  V30 22 C 1.071707 -1.237502 0.000000 0
M  V30 23 H -1.071708 -2.475004 0.000000 0
M  V30 24 H -0.357236 -1.237502 0.000000 0
M  V30 25 H 1.786180 -0.000000 0.000000 0
M  V30 26 C 3.215123 0.825001 0.000000 0
M  V30 27 C 3.215123 1.650003 0.000000 0
M  V30 28 C 2.500652 2.062503 0.000000 0
M  V30 29 C 1.786180 1.650003 0.000000 0
M  V30 30 C 1.071707 2.062503 0.000000 0
M  V30 31 C -1.786180 -2.887503 0.000000 0
M  V30 32 C -3.215124 -0.412501 0.000000 0
M  V30 33 C 2.500652 2.887503 0.000000 0
M  V30 34 O 3.929595 0.412501 0.000000 0
M  V30 35 N -3.929595 -0.825001 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 3
M  V30 2 1 3 4
M  V30 3 1 4 5
M  V30 4 1 5 6
M  V30 5 1 6 1
M  V30 6 1 4 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 5
M  V30 11 1 9 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 1 14 10
M  V30 16 1 11 15
M  V30 17 1 15 16
M  V30 18 1 16 17
M  V30 19 1 17 18
M  V30 20 1 18 12
M  V30 21 1 17 19 CFG=1
M  V30 22 1 5 20 CFG=1
M  V30 23 1 9 21 CFG=1
M  V30 24 1 11 22 CFG=3
M  V30 25 1 4 23 CFG=3
M  V30 26 1 10 24 CFG=3
M  V30 27 1 18 25 CFG=1
M  V30 28 1 17 26
M  V30 29 1 26 27
M  V30 30 1 27 28
M  V30 31 1 28 29
M  V30 32 1 29 18
M  V30 33 1 29 30 CFG=1
M  V30 34 2 3 31
M  V30 35 1 1 32
M  V30 36 1 28 33 CFG=3
M  V30 37 1 19 34
M  V30 38 1 32 35
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1078-s005

>  <DOI>
10.3390/M1078

$$$$

File : molbank-2019-M1078-s004.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 36 39 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.500652 -0.825001 0.000000 0
M  V30 2 C -2.500652 -1.650003 0.000000 0
M  V30 3 C -1.786180 -2.062503 0.000000 0
M  V30 4 C -1.071708 -1.650003 0.000000 0
M  V30 5 C -1.071708 -0.825001 0.000000 0
M  V30 6 C -1.786180 -0.412501 0.000000 0
M  V30 7 C -0.357236 -2.062503 0.000000 0
M  V30 8 C 0.357236 -1.650003 0.000000 0
M  V30 9 C 0.357236 -0.825001 0.000000 0
M  V30 10 C -0.357236 -0.412501 0.000000 0
M  V30 11 C 1.071707 -0.412501 0.000000 0
M  V30 12 C 1.071707 0.412500 0.000000 0
M  V30 13 C 0.357236 0.825001 0.000000 0
M  V30 14 C -0.357236 0.412500 0.000000 0
M  V30 15 C 1.786180 -0.825001 0.000000 0
M  V30 16 C 2.500652 -0.412501 0.000000 0
M  V30 17 C 2.500652 0.412500 0.000000 0
M  V30 18 C 1.786180 0.825001 0.000000 0
M  V30 19 C 3.215124 -0.000000 0.000000 0
M  V30 20 C -1.071708 -0.000000 0.000000 0
M  V30 21 C 0.357236 -0.000000 0.000000 0
M  V30 22 C 1.071707 -1.237502 0.000000 0
M  V30 23 H -1.071708 -2.475004 0.000000 0
M  V30 24 H -0.357236 -1.237502 0.000000 0
M  V30 25 H 1.786180 -0.000000 0.000000 0
M  V30 26 C 3.215123 0.825001 0.000000 0
M  V30 27 C 3.215123 1.650003 0.000000 0
M  V30 28 C 2.500652 2.062503 0.000000 0
M  V30 29 C 1.786180 1.650003 0.000000 0
M  V30 30 C 1.071707 2.062503 0.000000 0
M  V30 31 C -1.786180 -2.887503 0.000000 0
M  V30 32 C 2.500652 2.887503 0.000000 0
M  V30 33 O 3.929595 0.412501 0.000000 0
M  V30 34 O 3.215124 -0.825001 0.000000 0
M  V30 35 C -3.215124 -0.412501 0.000000 0
M  V30 36 N -3.929595 -0.000001 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 3 35 36
M  V30 2 1 1 35
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 1
M  V30 8 1 4 7
M  V30 9 1 7 8
M  V30 10 1 8 9
M  V30 11 1 9 10
M  V30 12 1 10 5
M  V30 13 1 9 11
M  V30 14 1 11 12
M  V30 15 2 12 13
M  V30 16 1 13 14
M  V30 17 1 14 10
M  V30 18 1 11 15
M  V30 19 1 15 16
M  V30 20 1 16 17
M  V30 21 1 17 18
M  V30 22 1 18 12
M  V30 23 1 17 19 CFG=1
M  V30 24 1 5 20 CFG=1
M  V30 25 1 9 21 CFG=1
M  V30 26 1 11 22 CFG=3
M  V30 27 1 4 23 CFG=3
M  V30 28 1 10 24 CFG=3
M  V30 29 1 18 25 CFG=1
M  V30 30 1 17 26
M  V30 31 1 26 27
M  V30 32 1 27 28
M  V30 33 1 28 29
M  V30 34 1 29 18
M  V30 35 1 29 30 CFG=1
M  V30 36 2 3 31
M  V30 37 1 28 32 CFG=3
M  V30 38 1 19 33
M  V30 39 2 19 34
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 35 36) XBONDS=(1 2) LABEL="^CN" CSTATE=(4 2 0.714471 -
M  V30 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1078-s004

>  <DOI>
10.3390/M1078

$$$$

File : molbank-2019-M1078-s003.mol

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M  V30 BEGIN CTAB
M  V30 COUNTS 45 49 0 0 0
M  V30 BEGIN ATOM
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M  V30 12 C -0.584234 -0.472144 0.000000 0
M  V30 13 C -0.584234 0.352856 0.000000 0
M  V30 14 C -1.298706 0.765357 0.000000 0
M  V30 15 C 0.028860 0.904890 0.000000 0
M  V30 16 C -0.306697 1.658565 0.000000 0
M  V30 17 C -1.127179 1.572329 0.000000 0
M  V30 18 C 0.130238 -0.059644 0.000000 0
M  V30 19 C -4.156592 -0.059644 0.000000 0
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M  V30 28 C 1.880328 0.523720 0.000000 0
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M  V30 30 N 3.047056 0.523720 0.000000 0
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M  V30 32 C 4.213783 0.523720 0.000000 0
M  V30 33 C 4.797146 -0.059644 0.000000 0
M  V30 34 C 5.380510 0.523720 0.000000 0
M  V30 35 N 5.963873 -0.059644 0.000000 0
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M  V30 37 C -5.605919 -0.553844 0.000000 0
M  V30 38 C -5.963873 -1.297144 0.000000 0
M  V30 39 N -5.605919 -2.040444 0.000000 0
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M  V30 43 C -1.679212 2.185424 0.000000 0
M  V30 44 C -1.424273 2.970046 0.000000 0
M  V30 45 C -2.486185 2.013896 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 2
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 6
M  V30 12 1 7 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 14 8
M  V30 17 1 13 15
M  V30 18 1 15 16
M  V30 19 1 16 17
M  V30 20 1 17 14
M  V30 21 1 13 18 CFG=1
M  V30 22 1 2 19 CFG=1
M  V30 23 1 5 20 CFG=1
M  V30 24 1 7 21 CFG=3
M  V30 25 1 1 22 CFG=3
M  V30 26 1 6 23 CFG=3
M  V30 27 1 8 24 CFG=1
M  V30 28 1 14 25 CFG=3
M  V30 29 2 18 26
M  V30 30 1 26 27
M  V30 31 1 27 28
M  V30 32 1 28 29
M  V30 33 1 29 30
M  V30 34 1 30 31
M  V30 35 1 31 32
M  V30 36 1 32 33
M  V30 37 1 33 34
M  V30 38 1 34 35
M  V30 39 1 2 36
M  V30 40 1 36 37
M  V30 41 1 37 38
M  V30 42 1 38 39
M  V30 43 1 39 40
M  V30 44 1 40 1
M  V30 45 1 40 41
M  V30 46 1 40 42
M  V30 47 1 17 43 CFG=3
M  V30 48 2 43 44
M  V30 49 1 43 45
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1078-s003

>  <DOI>
10.3390/M1078

$$$$

File : molbank-2019-M1078-s002.mol

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M  V30 BEGIN CTAB
M  V30 COUNTS 45 49 0 0 0
M  V30 BEGIN ATOM
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M  V30 15 C -1.192514 -0.951358 0.000000 0
M  V30 16 C -0.478042 -0.538858 0.000000 0
M  V30 17 C -0.478042 0.286143 0.000000 0
M  V30 18 C -1.192514 0.698643 0.000000 0
M  V30 19 C 0.135053 0.838176 0.000000 0
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M  V30 23 C -5.177372 -2.903331 0.000000 0
M  V30 24 C -4.352371 -2.903331 0.000000 0
M  V30 25 C -4.050400 -0.126357 0.000000 0
M  V30 26 C -2.621457 -0.126357 0.000000 0
M  V30 27 C -1.906985 -1.363859 0.000000 0
M  V30 28 O -6.070064 -2.147609 0.000000 0
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M  V30 30 H -3.335929 -1.363859 0.000000 0
M  V30 31 H -1.906985 1.111143 0.000000 0
M  V30 32 H -1.192514 -0.126357 0.000000 0
M  V30 33 N 0.819792 0.457006 0.000000 0
M  V30 34 C 1.403156 -0.126357 0.000000 0
M  V30 35 C 1.986520 0.457006 0.000000 0
M  V30 36 C 2.569883 -0.126357 0.000000 0
M  V30 37 N 3.153247 0.457006 0.000000 0
M  V30 38 C 3.736610 -0.126357 0.000000 0
M  V30 39 C 4.319973 0.457006 0.000000 0
M  V30 40 C 4.903338 -0.126357 0.000000 0
M  V30 41 C 5.486701 0.457006 0.000000 0
M  V30 42 N 6.070064 -0.126357 0.000000 0
M  V30 43 C -1.573020 2.118709 0.000000 0
M  V30 44 C -1.318080 2.903331 0.000000 0
M  V30 45 C -2.379991 1.947182 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 9 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 14 10
M  V30 17 1 11 15
M  V30 18 1 15 16
M  V30 19 1 16 17
M  V30 20 1 17 18
M  V30 21 1 18 12
M  V30 22 1 17 19
M  V30 23 1 19 20
M  V30 24 1 20 21
M  V30 25 1 21 18
M  V30 26 1 17 22 CFG=1
M  V30 27 1 3 23
M  V30 28 1 3 24
M  V30 29 1 5 25 CFG=1
M  V30 30 1 9 26 CFG=1
M  V30 31 1 11 27 CFG=3
M  V30 32 2 2 28
M  V30 33 1 4 29 CFG=3
M  V30 34 1 10 30 CFG=3
M  V30 35 1 12 31 CFG=1
M  V30 36 1 18 32 CFG=3
M  V30 37 2 22 33
M  V30 38 1 33 34
M  V30 39 1 34 35
M  V30 40 1 35 36
M  V30 41 1 36 37
M  V30 42 1 37 38
M  V30 43 1 38 39
M  V30 44 1 39 40
M  V30 45 1 40 41
M  V30 46 1 41 42
M  V30 47 1 21 43 CFG=3
M  V30 48 2 43 44
M  V30 49 1 43 45
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1078-s002

>  <DOI>
10.3390/M1078

$$$$

File : molbank-2019-M1077-s002.mol

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M  END
>  <MOL_ID>
molbank-2019-M1077-s002

>  <DOI>
10.3390/M1077

$$$$

File : molbank-2019-M1076-s002.mol

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>  <MOL_ID>
molbank-2019-M1076-s002

>  <DOI>
10.3390/M1076

$$$$

File : molbank-2019-M1075-s002.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  19  20  21  22
M  SBL   1  1  21
M  SMT   1 CF3
M  SBV   1 21  -12.9053   11.6961
M  END
>  <MOL_ID>
molbank-2019-M1075-s002

>  <DOI>
10.3390/M1075

$$$$

File : molbank-2019-M1074-s001.mol

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M  CHG  4 154  -1 155  -1 210  -1 211  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  8   9  10  11  12  13  14  15  16
M  SBL   1  1   9
M  SMT   1 ^OBn
M  SBV   1   9    0.7499   -0.0418
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  8  17  18  19  20  21  22  23  24
M  SBL   2  1  18
M  SMT   2 OBn
M  SBV   2  18    0.0132   -1.0834
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  7  25  26  27  28  29  30  31
M  SBL   3  1  26
M  SMT   3 SPh
M  SBV   3  26    0.0000    0.8250
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  8  32  33  34  35  36  37  38  39
M  SBL   4  1  35
M  SMT   4 ^OBn
M  SBV   4  35    0.7969    0.2137
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  8  49  50  51  52  53  54  55  56
M  SBL   5  1  52
M  SMT   5 ^OBn
M  SBV   5  52    1.4798    0.2686
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  8  57  58  59  60  61  62  63  64
M  SBL   6  1  61
M  SMT   6 ^OBn
M  SBV   6  61    0.6951   -0.1857
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  8  65  66  67  68  69  70  71  72
M  SBL   7  1  70
M  SMT   7 OBn
M  SBV   7  70    0.0000   -1.0003
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  7  73  74  75  76  77  78  79
M  SBL   8  1  78
M  SMT   8 SPh
M  SBV   8  78    0.0000    0.8250
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  8  91  92  93  94  95  96  97  98
M  SBL   9  1  96
M  SMT   9 ^OBn
M  SBV   9  96    1.5698    0.2865
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  8  99 100 101 102 103 104 105 106
M  SBL  10  1 105
M  SMT  10 ^OBn
M  SBV  10 105    0.6951   -0.1857
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  8 107 108 109 110 111 112 113 114
M  SBL  11  1 114
M  SMT  11 OBn
M  SBV  11 114    0.0000   -1.0003
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  8 115 116 117 118 119 120 121 122
M  SBL  12  1 123
M  SMT  12 ^OBn
M  SBV  12 123    0.8250    0.0000
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  8 123 124 125 126 127 128 129 130
M  SBL  13  1 132
M  SMT  13 OBn
M  SBV  13 132   -0.7969    0.2135
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14  8 131 132 133 134 135 136 137 138
M  SBL  14  1 141
M  SMT  14 OBn
M  SBV  14 141    0.0000    0.8250
M  STY  1  15 SUP
M  SLB  1  15  15
M  SAL  15  8 164 165 166 167 168 169 170 171
M  SBL  15  1 178
M  SMT  15 ^OBn
M  SBV  15 178    0.7499   -0.0418
M  STY  1  16 SUP
M  SLB  1  16  16
M  SAL  16  8 172 173 174 175 176 177 178 179
M  SBL  16  1 187
M  SMT  16 OBn
M  SBV  16 187    0.0132   -1.0834
M  STY  1  17 SUP
M  SLB  1  17  17
M  SAL  17  7 180 181 182 183 184 185 186
M  SBL  17  1 195
M  SMT  17 SPh
M  SBV  17 195    0.0000    0.8250
M  STY  1  18 SUP
M  SLB  1  18  18
M  SAL  18  8 187 188 189 190 191 192 193 194
M  SBL  18  1 204
M  SMT  18 ^OBn
M  SBV  18 204    0.7969    0.2137
M  END
>  <MOL_ID>
molbank-2019-M1068-s001

>  <DOI>
10.3390/M1068

$$$$

File : molbank-2019-M1067-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 19 2 0 0
M  V30 BEGIN ATOM
M  V30 1 Cu 2.883346 -0.203411 0.000000 0
M  V30 2 Cl 2.171356 -0.614479 0.000000 0
M  V30 3 Cl 3.595337 -0.614479 0.000000 0
M  V30 4 Cl 2.883346 0.618725 0.000000 0
M  V30 5 Cl 1.349220 0.002123 0.000000 0 CHG=-1
M  V30 6 C -0.720931 0.034377 0.000000 0
M  V30 7 N 0.032745 -0.301180 0.000000 0
M  V30 8 C 0.584777 0.311915 0.000000 0
M  V30 9 C 0.172276 1.026386 0.000000 0
M  V30 10 N -0.634695 0.854858 0.000000 0
M  V30 11 S -1.432920 -0.355207 0.000000 0
M  V30 12 C -3.595337 0.873698 0.000000 0
M  V30 13 C -3.595337 0.048698 0.000000 0
M  V30 14 N -2.880866 -0.363802 0.000000 0 CHG=1
M  V30 15 C -2.166396 0.048698 0.000000 0
M  V30 16 C -2.166396 0.873698 0.000000 0
M  V30 17 C -2.880866 1.286198 0.000000 0
M  V30 18 O -2.880865 -1.286198 0.000000 0 CHG=-1
M  V30 19 C -0.576801 0.099828 0.000000 0
M  V30 20 C -0.221726 -0.063448 0.000000 0
M  V30 21 C -0.510877 0.478142 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 6 7
M  V30 5 1 7 8
M  V30 6 1 8 9
M  V30 7 1 9 10
M  V30 8 1 10 6
M  V30 9 2 12 13
M  V30 10 1 13 14
M  V30 11 2 14 15
M  V30 12 1 15 16
M  V30 13 2 16 17
M  V30 14 1 17 12
M  V30 15 1 14 18
M  V30 16 1 11 15
M  V30 17 1 6 11
M  V30 18 1 19 20 CFG=3
M  V30 19 1 19 21 CFG=3
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 1 2 3 4 5) LABEL=CuCl4
M  V30 2 GEN 2 ATOMS=(16 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21) -
M  V30 CONNECT=HT BRKXYZ=(9 -3.841073 -1.579455 0 -3.841073 1.356534 0 0 0 0) -
M  V30 BRKXYZ=(9 0.813714 1.356709 0 0.819383 -1.579274 0 0 0 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1067-s001

>  <DOI>
10.3390/M1067

$$$$

File : molbank-2019-M1066-s002.mol

 37 40  0  0  0  0  0  0  0  0999 V2000
   -5.2858   -0.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2858   -1.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5713   -1.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8568   -1.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8568   -0.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5713   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722   -1.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5873   -1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722   -0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722    0.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3577    0.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6433    0.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6433   -0.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9313    0.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3577    1.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0286   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8536   -1.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085   -1.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4411   -0.5891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263   -1.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6919   -0.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230   -1.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8097   -0.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3368   -2.5237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4546   -2.5237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5713    1.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4205    1.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9777    0.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480   -1.4865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6046    0.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8027    0.6087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2858    1.2335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3485    2.5237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9  5  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 11 15  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 16  1  0
 18 21  1  1
 18 22  1  6
 20 23  1  1
 17 24  1  1
 16 25  1  6
 23 13  1  0
 26 27  1  0
 27 30  1  1
 28 31  1  1
 28 29  1  0
 26 29  1  0
 30 31  1  1
 22 32  1  0
 21 27  1  0
 30 33  1  0
 31 34  1  0
 28 35  1  0
 29 36  1  0
 36 37  1  0
M  END
>  <MOL_ID>
molbank-2019-M1066-s002

>  <DOI>
10.3390/M1066

$$$$

File : molbank-2019-M1064-s001.mol

 20 20  0  0  0  0  0  0  0  0999 V2000
   -1.7874    0.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7874    0.0225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729   -0.3900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585    0.0225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585    0.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729    1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560    1.2600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729    2.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    0.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    0.0225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849   -0.3900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4994    0.0225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4994    0.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    2.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5019    1.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139    0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2139    1.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2139    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -2.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0
 16 17  1  0
 13 18  1  0
 18 19  1  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  1  1  0
  5  7  1  0
  6  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14  9  1  0
 14 15  2  0
A   20
10
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  16  17
M  SBL   1  1   1
M  SMT   1 OMe
M  SBV   1   1    0.7145   -0.4125
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  18  19
M  SBL   2  1   3
M  SMT   2 OMe
M  SBV   2   3   -0.7145   -0.4125
M  END
>  <MOL_ID>
molbank-2019-M1064-s001

>  <DOI>
10.3390/M1064

$$$$

File : molbank-2019-M1063-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 43 46 6 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.857884 0.412500 0.000000 0
M  V30 2 C -2.857884 -0.412500 0.000000 0
M  V30 3 C -2.143413 -0.825000 0.000000 0
M  V30 4 C -1.428942 -0.412500 0.000000 0
M  V30 5 C -1.428942 0.412500 0.000000 0
M  V30 6 C -2.143413 0.825000 0.000000 0
M  V30 7 C -0.714471 0.825000 0.000000 0
M  V30 8 C 0.000000 0.412500 0.000000 0
M  V30 9 C 0.714471 0.825000 0.000000 0
M  V30 10 O 0.714471 1.650000 0.000000 0
M  V30 11 C 1.428943 0.412500 0.000000 0
M  V30 12 C 1.428943 -0.412500 0.000000 0
M  V30 13 C 0.714471 -0.825000 0.000000 0
M  V30 14 C 0.714471 -1.650000 0.000000 0
M  V30 15 C 0.000000 -2.062500 0.000000 0
M  V30 16 C -0.714471 -1.650000 0.000000 0
M  V30 17 C -1.428942 -2.062500 0.000000 0
M  V30 18 C -1.428942 -2.887500 0.000000 0
M  V30 19 C -0.714471 -3.300000 0.000000 0
M  V30 20 C 0.000000 -2.887500 0.000000 0
M  V30 21 N 2.143413 -0.825000 0.000000 0
M  V30 22 C 2.857884 -0.412500 0.000000 0
M  V30 23 N 2.857884 0.412500 0.000000 0
M  V30 24 C 2.143413 0.825000 0.000000 0
M  V30 25 C 2.143413 1.650000 0.000000 0
M  V30 26 S 3.572356 -0.825000 0.000000 0
M  V30 27 C 2.857884 2.062500 0.000000 0
M  V30 28 C 2.857884 2.887500 0.000000 0
M  V30 29 C 2.143413 3.300000 0.000000 0
M  V30 30 C 1.428943 2.887500 0.000000 0
M  V30 31 C 1.428943 2.062500 0.000000 0
M  V30 32 O -0.714471 -0.825000 0.000000 0
M  V30 33 C -0.002480 -0.413933 0.000000 0
M  V30 34 O -3.572354 0.825000 0.000000 0
M  V30 35 C -4.284346 0.413933 0.000000 0
M  V30 36 O 0.714471 -3.300000 0.000000 0
M  V30 37 C 1.426462 -2.888933 0.000000 0
M  V30 38 O -2.143413 -1.650000 0.000000 0
M  V30 39 C -2.855403 -2.061069 0.000000 0
M  V30 40 O 3.572356 1.650000 0.000000 0
M  V30 41 C 4.284346 2.061069 0.000000 0
M  V30 42 O 0.714471 3.300000 0.000000 0
M  V30 43 C 0.002481 2.888933 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 32 33
M  V30 2 1 4 32
M  V30 3 1 34 35
M  V30 4 1 1 34
M  V30 5 1 36 37
M  V30 6 1 20 36
M  V30 7 1 38 39
M  V30 8 1 17 38
M  V30 9 1 40 41
M  V30 10 1 27 40
M  V30 11 1 42 43
M  V30 12 1 30 42
M  V30 13 2 1 2
M  V30 14 1 2 3
M  V30 15 2 3 4
M  V30 16 1 4 5
M  V30 17 2 5 6
M  V30 18 1 6 1
M  V30 19 1 5 7
M  V30 20 2 7 8
M  V30 21 1 8 9
M  V30 22 2 9 10
M  V30 23 1 9 11
M  V30 24 2 11 12
M  V30 25 1 12 13
M  V30 26 2 13 14
M  V30 27 1 14 15
M  V30 28 2 15 16
M  V30 29 1 16 17
M  V30 30 2 17 18
M  V30 31 1 18 19
M  V30 32 2 19 20
M  V30 33 1 20 15
M  V30 34 1 12 21
M  V30 35 1 21 22
M  V30 36 1 22 23
M  V30 37 1 23 24
M  V30 38 1 24 11
M  V30 39 1 24 25
M  V30 40 2 22 26
M  V30 41 2 25 27
M  V30 42 1 27 28
M  V30 43 2 28 29
M  V30 44 1 29 30
M  V30 45 2 30 31
M  V30 46 1 31 25
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 32 33) XBONDS=(1 2) LABEL=OMe CSTATE=(4 2 -0.714471 -
M  V30 0.412500 0)
M  V30 2 SUP 2 ATOMS=(2 34 35) XBONDS=(1 4) LABEL="^OMe" CSTATE=(4 4 0.714470 -
M  V30 -0.412500 0)
M  V30 3 SUP 3 ATOMS=(2 36 37) XBONDS=(1 6) LABEL=OMe CSTATE=(4 6 -0.714470 -
M  V30 0.412500 0)
M  V30 4 SUP 4 ATOMS=(2 38 39) XBONDS=(1 8) LABEL="^OMe" CSTATE=(4 8 0.714471 -
M  V30 -0.412500 0)
M  V30 5 SUP 5 ATOMS=(2 40 41) XBONDS=(1 10) LABEL=OMe CSTATE=(4 10 -0.714471 -
M  V30 0.412500 0)
M  V30 6 SUP 6 ATOMS=(2 42 43) XBONDS=(1 12) LABEL="^OMe" CSTATE=(4 12 -
M  V30 0.714472 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1063-s003

>  <DOI>
10.3390/M1063

$$$$

File : molbank-2019-M1063-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 34 5 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.571115 -0.206967 0.000000 0
M  V30 2 C -3.571115 -1.031967 0.000000 0
M  V30 3 C -2.856644 -1.444467 0.000000 0
M  V30 4 C -2.142172 -1.031967 0.000000 0
M  V30 5 C -2.142172 -0.206967 0.000000 0
M  V30 6 C -2.856644 0.205533 0.000000 0
M  V30 7 C -1.427701 0.205534 0.000000 0
M  V30 8 C -0.713230 -0.206966 0.000000 0
M  V30 9 C 0.001240 0.205534 0.000000 0
M  V30 10 O 0.001240 1.030534 0.000000 0
M  V30 11 C 0.715712 -0.206966 0.000000 0
M  V30 12 C 0.715712 -1.031967 0.000000 0
M  V30 13 N 1.430182 -1.444466 0.000000 0
M  V30 14 C 2.144654 -1.031966 0.000000 0
M  V30 15 N 2.144654 -0.206966 0.000000 0
M  V30 16 C 1.430182 0.205534 0.000000 0
M  V30 17 C 1.430182 1.030534 0.000000 0
M  V30 18 S 2.859125 -1.444466 0.000000 0
M  V30 19 C 2.144654 1.443034 0.000000 0
M  V30 20 C 2.144654 2.268034 0.000000 0
M  V30 21 C 1.430182 2.680534 0.000000 0
M  V30 22 C 0.715712 2.268034 0.000000 0
M  V30 23 C 0.715712 1.443034 0.000000 0
M  V30 24 O -2.856644 1.030533 0.000000 0
M  V30 25 C -3.568635 1.441601 0.000000 0
M  V30 26 C 0.001240 -1.444467 0.000000 0
M  V30 27 O 2.859125 1.030534 0.000000 0
M  V30 28 C 3.571115 1.441602 0.000000 0
M  V30 29 O 0.001240 2.680534 0.000000 0
M  V30 30 C -0.710750 2.269466 0.000000 0
M  V30 31 O -2.856644 -2.269467 0.000000 0
M  V30 32 C -2.144654 -2.680534 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 24 25
M  V30 2 1 6 24
M  V30 3 1 12 26
M  V30 4 1 27 28
M  V30 5 1 19 27
M  V30 6 1 29 30
M  V30 7 1 22 29
M  V30 8 1 31 32
M  V30 9 1 3 31
M  V30 10 2 1 2
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M  V30 13 1 4 5
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M  V30 30 1 19 20
M  V30 31 2 20 21
M  V30 32 1 21 22
M  V30 33 2 22 23
M  V30 34 1 23 17
M  V30 END BOND
M  V30 BEGIN SGROUP
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M  V30 END SGROUP
M  V30 END CTAB
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>  <MOL_ID>
molbank-2019-M1063-s002

>  <DOI>
10.3390/M1063

$$$$

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>  <MOL_ID>
molbank-2019-M1062-s001

>  <DOI>
10.3390/M1062

$$$$

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>  <MOL_ID>
molbank-2019-M1061-s001

>  <DOI>
10.3390/M1061

$$$$

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>  <MOL_ID>
molbank-2019-M1060-s001

>  <DOI>
10.3390/M1060

$$$$

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>  <MOL_ID>
molbank-2019-M1059-s001

>  <DOI>
10.3390/M1059

$$$$

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>  <MOL_ID>
molbank-2019-M1058-s002

>  <DOI>
10.3390/M1058

$$$$

File : molbank-2019-M1057-s003.mol

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>  <MOL_ID>
molbank-2019-M1057-s003

>  <DOI>
10.3390/M1057

$$$$

File : molbank-2019-M1057-s002.mol

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>  <MOL_ID>
molbank-2019-M1057-s002

>  <DOI>
10.3390/M1057

$$$$

File : molbank-2019-M1056-s003.mol

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>  <MOL_ID>
molbank-2019-M1056-s003

>  <DOI>
10.3390/M1056

$$$$

File : molbank-2019-M1056-s002.mol

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M  END
>  <MOL_ID>
molbank-2019-M1056-s002

>  <DOI>
10.3390/M1056

$$$$

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>  <MOL_ID>
molbank-2019-M1055-s001

>  <DOI>
10.3390/M1055

$$$$

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>  <MOL_ID>
molbank-2019-M1054-s002

>  <DOI>
10.3390/M1054

$$$$

File : molbank-2019-M1053-s001.mol

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M  V30 BEGIN CTAB
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1053-s001

>  <DOI>
10.3390/M1053

$$$$

File : molbank-2019-M1052-s001.mol

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>  <MOL_ID>
molbank-2019-M1052-s001

>  <DOI>
10.3390/M1052

$$$$

File : molbank-2019-M1051-s002.mol

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>  <MOL_ID>
molbank-2019-M1051-s002

>  <DOI>
10.3390/M1051

$$$$

File : molbank-2019-M1050-s001.mol

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>  <MOL_ID>
molbank-2019-M1050-s001

>  <DOI>
10.3390/M1050

$$$$

File : molbank-2019-M1048-s003.mol

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>  <MOL_ID>
molbank-2019-M1048-s003

>  <DOI>
10.3390/M1048

$$$$

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>  <MOL_ID>
molbank-2019-M1047-s004

>  <DOI>
10.3390/M1047

$$$$

File : molbank-2019-M1047-s003.mol

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>  <MOL_ID>
molbank-2019-M1047-s003

>  <DOI>
10.3390/M1047

$$$$

File : molbank-2019-M1046-s001.mol

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M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1046-s001

>  <DOI>
10.3390/M1046

$$$$

File : molbank-2019-M1045-s001.mol

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>  <MOL_ID>
molbank-2019-M1045-s001

>  <DOI>
10.3390/M1045

$$$$

File : molbank-2019-M1043-s001.mol

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>  <MOL_ID>
molbank-2019-M1043-s001

>  <DOI>
10.3390/M1043

$$$$

File : molbank-2019-M1042-s001.mol

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M  END
>  <MOL_ID>
molbank-2019-M1042-s001

>  <DOI>
10.3390/M1042

$$$$

File : molbank-2019-M1041-s001.mol

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M  END
>  <MOL_ID>
molbank-2019-M1041-s001

>  <DOI>
10.3390/M1041

$$$$

File : molbank-2019-M1040-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.731486 1.126826 0.000000 0
M  V30 2 N -1.927315 0.955894 0.000000 0
M  V30 3 C -1.841379 0.138262 0.000000 0
M  V30 4 N -2.592437 -0.196131 0.000000 0
M  V30 5 C -3.142554 0.414836 0.000000 0
M  V30 6 C -1.129389 -0.272806 0.000000 0
M  V30 7 C -1.129389 -1.094942 0.000000 0
M  V30 8 C -0.417399 -1.506010 0.000000 0
M  V30 9 N 0.294592 -1.094942 0.000000 0
M  V30 10 C 0.294592 -0.272806 0.000000 0
M  V30 11 C -0.417399 0.138262 0.000000 0
M  V30 12 C 1.006583 0.138262 0.000000 0
M  V30 13 C 1.006583 0.960398 0.000000 0
M  V30 14 C 1.718573 1.371466 0.000000 0
M  V30 15 N 2.430564 0.960398 0.000000 0
M  V30 16 C 2.430564 0.138262 0.000000 0
M  V30 17 C 1.718573 -0.272806 0.000000 0
M  V30 18 Cl 3.142554 -0.272806 0.000000 0
M  V30 19 C -1.316350 1.506010 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 1
M  V30 6 1 3 6
M  V30 7 2 6 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 2 10 11
M  V30 12 1 11 6
M  V30 13 1 10 12
M  V30 14 2 12 13
M  V30 15 1 13 14
M  V30 16 2 14 15
M  V30 17 1 15 16
M  V30 18 2 16 17
M  V30 19 1 17 12
M  V30 20 1 16 18
M  V30 21 1 2 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2019-M1040-s002

>  <DOI>
10.3390/M1040

$$$$

File : molbank-2018-M1037-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 2 0 0
M  V30 BEGIN ATOM
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M  V30 2 C -0.922382 -0.190120 0.000000 0
M  V30 3 C -0.357236 -0.516407 0.000000 0
M  V30 4 C 0.207911 -0.190120 0.000000 0
M  V30 5 N 0.207911 0.462455 0.000000 0
M  V30 6 C -0.357236 0.788743 0.000000 0
M  V30 7 C -1.487529 -0.516407 0.000000 0
M  V30 8 C 0.773058 -0.516407 0.000000 0
M  V30 9 C -2.052675 -0.190120 0.000000 0
M  V30 10 C -2.617822 -0.516407 0.000000 0
M  V30 11 C -2.617822 -1.168982 0.000000 0
M  V30 12 C -2.052675 -1.495270 0.000000 0
M  V30 13 C -1.487529 -1.168982 0.000000 0
M  V30 14 C 0.773058 -1.168982 0.000000 0
M  V30 15 C 1.338204 -1.495270 0.000000 0
M  V30 16 C 1.903351 -1.168982 0.000000 0
M  V30 17 C 1.903351 -0.516407 0.000000 0
M  V30 18 C 1.338204 -0.190120 0.000000 0
M  V30 19 N 0.692869 0.899113 0.000000 0
M  V30 20 N 0.427443 1.495270 0.000000 0
M  V30 21 N -0.221558 1.427057 0.000000 0
M  V30 22 Br -3.182968 -1.495270 0.000000 0
M  V30 23 O 2.468497 -1.495270 0.000000 0
M  V30 24 C 3.182968 -1.082770 0.000000 0
M  V30 25 O 1.338204 0.462455 0.000000 0
M  V30 26 C 0.623733 0.874955 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 23 24
M  V30 2 1 16 23
M  V30 3 1 25 26
M  V30 4 1 18 25
M  V30 5 1 1 2
M  V30 6 2 2 3
M  V30 7 1 3 4
M  V30 8 1 4 5
M  V30 9 1 5 6
M  V30 10 1 6 1
M  V30 11 1 2 7
M  V30 12 1 4 8
M  V30 13 2 7 9
M  V30 14 1 9 10
M  V30 15 2 10 11
M  V30 16 1 11 12
M  V30 17 2 12 13
M  V30 18 1 13 7
M  V30 19 2 8 14
M  V30 20 1 14 15
M  V30 21 2 15 16
M  V30 22 1 16 17
M  V30 23 2 17 18
M  V30 24 1 18 8
M  V30 25 1 5 19
M  V30 26 2 19 20
M  V30 27 1 20 21
M  V30 28 2 21 6
M  V30 29 1 11 22
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 23 24) XBONDS=(1 2) LABEL=OMe CSTATE=(4 2 -0.565146 -
M  V30 0.326288 0)
M  V30 2 SUP 2 ATOMS=(2 25 26) XBONDS=(1 4) LABEL=OMe CSTATE=(4 4 0.000000 -
M  V30 -0.652575 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1037-s001

>  <DOI>
10.3390/M1037

$$$$

File : molbank-2018-M1035-s003.mol

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M  END
>  <MOL_ID>
molbank-2018-M1035-s003

>  <DOI>
10.3390/M1035

$$$$

File : molbank-2018-M1035-s002.mol

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M  END
>  <MOL_ID>
molbank-2018-M1035-s002

>  <DOI>
10.3390/M1035

$$$$

File : molbank-2018-M1034-s005.mol

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>  <DOI>
10.3390/M1034

$$$$

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>  <MOL_ID>
molbank-2018-M1033-s012

>  <DOI>
10.3390/M1033

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>  <MOL_ID>
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>  <DOI>
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molbank-2018-M1033-s009

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>  <MOL_ID>
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>  <MOL_ID>
molbank-2018-M1033-s007

>  <DOI>
10.3390/M1033

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molbank-2018-M1033-s005

>  <DOI>
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$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M1033

$$$$

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>  <MOL_ID>
molbank-2018-M1033-s002

>  <DOI>
10.3390/M1033

$$$$

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M  V30 17 C 2.856624 -1.584992 0.000000 0
M  V30 18 C 2.142153 -1.172492 0.000000 0
M  V30 19 C -0.000000 0.887826 0.000000 0
M  V30 20 C 0.667440 1.372748 0.000000 0
M  V30 21 C 0.412500 2.157371 0.000000 0
M  V30 22 C -0.412500 2.157371 0.000000 0
M  V30 23 O -0.667440 1.372748 0.000000 0
M  V30 24 C -0.895739 2.822492 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 2 7
M  V30 8 1 4 8
M  V30 9 2 7 9
M  V30 10 1 9 10
M  V30 11 2 10 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 7
M  V30 15 2 8 14
M  V30 16 1 14 15
M  V30 17 2 15 16
M  V30 18 1 16 17
M  V30 19 2 17 18
M  V30 20 1 18 8
M  V30 21 1 6 19
M  V30 22 2 19 20
M  V30 23 1 20 21
M  V30 24 2 21 22
M  V30 25 1 22 23
M  V30 26 1 23 19
M  V30 27 1 22 24
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1032-s002

>  <DOI>
10.3390/M1032

$$$$

File : molbank-2018-M1031-s001.mol

 26 28  0  0  0  0  0  0  0  0999 V2000
   -4.8852   -0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8852   -0.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1709   -1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4567   -0.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4567   -0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1709    0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723   -1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875   -0.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174    0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6107    1.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0589    0.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2521    0.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997   -0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027    1.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0449   -0.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1064    0.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6583   -0.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4650   -0.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7199    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680    1.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    0.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5266    0.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0784    0.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8852    0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8236   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9  5  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 14 16  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
M  END
>  <MOL_ID>
molbank-2018-M1031-s001

>  <DOI>
10.3390/M1031

$$$$

File : molbank-2018-M1030-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.842299 0.922019 0.000000 0
M  V30 2 N -1.842299 0.510119 0.000000 0
M  V30 3 C -1.450560 0.382835 0.000000 0
M  V30 4 N -1.208450 0.716069 0.000000 0
M  V30 5 C -1.450560 1.049303 0.000000 0
M  V30 6 C -2.175534 0.268010 0.000000 0
M  V30 7 C -1.323275 -0.008906 0.000000 0
M  V30 8 C -1.598890 -0.315007 0.000000 0
M  V30 9 C -1.471606 -0.706747 0.000000 0
M  V30 10 N -1.068707 -0.792387 0.000000 0
M  V30 11 C -0.793092 -0.486285 0.000000 0
M  V30 12 C -0.920376 -0.094544 0.000000 0
M  V30 13 C -0.390192 -0.571924 0.000000 0
M  V30 14 C -0.262908 -0.963664 0.000000 0
M  V30 15 C 0.139991 -1.049303 0.000000 0
M  V30 16 N 0.415606 -0.743202 0.000000 0
M  V30 17 C 0.288322 -0.351461 0.000000 0
M  V30 18 C -0.114578 -0.265822 0.000000 0
M  V30 19 N 0.563937 -0.045360 0.000000 0
M  V30 20 C 0.966836 -0.130998 0.000000 0
M  V30 21 C 1.094120 -0.522739 0.000000 0
M  V30 22 C 1.497020 -0.608378 0.000000 0
M  V30 23 C 1.772635 -0.302276 0.000000 0
M  V30 24 C 1.645350 0.089464 0.000000 0
M  V30 25 C 1.242451 0.175103 0.000000 0
M  V30 26 N 2.175534 -0.387915 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 1
M  V30 6 1 2 6
M  V30 7 1 3 7
M  V30 8 2 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 10 11
M  V30 12 2 11 12
M  V30 13 1 12 7
M  V30 14 1 11 13
M  V30 15 2 13 14
M  V30 16 1 14 15
M  V30 17 2 15 16
M  V30 18 1 16 17
M  V30 19 2 17 18
M  V30 20 1 18 13
M  V30 21 1 17 19
M  V30 22 1 19 20
M  V30 23 2 20 21
M  V30 24 1 21 22
M  V30 25 2 22 23
M  V30 26 1 23 24
M  V30 27 2 24 25
M  V30 28 1 25 20
M  V30 29 1 23 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1030-s001

>  <DOI>
10.3390/M1030

$$$$

File : molbank-2018-M1029-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.357236 -1.650001 0.000000 0
M  V30 2 C 0.357236 -2.475000 0.000000 0
M  V30 3 C 1.071708 -2.887501 0.000000 0
M  V30 4 C 1.786179 -2.475000 0.000000 0
M  V30 5 C 1.786179 -1.650001 0.000000 0
M  V30 6 C 1.071708 -1.237500 0.000000 0
M  V30 7 N 1.071708 -0.412500 0.000000 0
M  V30 8 C 1.071708 -3.712503 0.000000 0
M  V30 9 C 1.786179 0.000000 0.000000 0
M  V30 10 N 1.786179 0.825001 0.000000 0
M  V30 11 C 1.071708 1.237502 0.000000 0
M  V30 12 C 0.357236 0.825001 0.000000 0
M  V30 13 C 0.357236 0.000000 0.000000 0
M  V30 14 C 1.071708 2.062502 0.000000 0
M  V30 15 C 1.786179 2.475003 0.000000 0
M  V30 16 C 1.786179 3.300003 0.000000 0
M  V30 17 C 1.071708 3.712503 0.000000 0
M  V30 18 C 0.357236 3.300003 0.000000 0
M  V30 19 C 0.357236 2.475003 0.000000 0
M  V30 20 C -0.357235 1.237502 0.000000 0
M  V30 21 O -1.071706 0.825001 0.000000 0
M  V30 22 O -0.357235 2.062502 0.000000 0
M  V30 23 C -1.786178 1.237502 0.000000 0
M  V30 24 C -2.500650 0.825001 0.000000 0
M  V30 25 C -0.357235 -0.412500 0.000000 0
M  V30 26 S 2.500650 -0.412500 0.000000 0
M  V30 27 F 2.500650 2.062502 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 6 7
M  V30 8 1 3 8
M  V30 9 1 7 9
M  V30 10 1 9 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 7
M  V30 15 1 11 14
M  V30 16 2 14 15
M  V30 17 1 15 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 14
M  V30 22 1 12 20
M  V30 23 1 20 21
M  V30 24 2 20 22
M  V30 25 1 21 23
M  V30 26 1 23 24
M  V30 27 1 13 25
M  V30 28 2 9 26
M  V30 29 1 15 27
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1029-s002

>  <DOI>
10.3390/M1029

$$$$

File : molbank-2018-M1028-s003.mol

 39 42  0  0  0  0  0  0  0  0999 V2000
    3.9363    9.4326   14.1273 Au     0
    1.8271    9.1391   14.9945 S      0
    6.0622    9.8806   13.4870 P      0
    0.2133    7.1807   14.8797 O      0
    5.5325    9.5939    8.8600 O      0
    3.9530   10.9691    8.3631 O      0
    1.1284    7.5483   12.8400 N      0
    4.3837   10.0024    8.9803 N      0
    1.0471    7.8523   14.0606 C      0
    1.9316    8.1806   11.9054 C      0
    1.4666    9.2858   11.1812 C      0
    2.2472    9.8585   10.2035 C      0
    3.5015    9.3360    9.9471 C      0
    3.9905    8.2239   10.6217 C      0
    3.2000    7.6523   11.6056 C      0
   -0.6113    6.1114   14.2867 C      0
    0.2236    4.8680   14.0839 C      0
   -1.7385    5.8942   15.2571 C      0
    6.1786   11.3863   12.4861 C      0
    5.0705   11.7941   11.7346 C      0
    5.1497   12.9009   10.9236 C      0
    6.3319   13.6482   10.8312 C      0
    7.4173   13.2426   11.5896 C      0
    7.3590   12.1345   12.4161 C      0
    6.4094   14.8588    9.9491 C      0
    7.2159   10.1599   14.8560 C      0
    6.8848   11.0550   15.8677 C      0
    7.7583   11.3119   16.9090 C      0
    8.9983   10.6714   16.9700 C      0
    9.3213    9.7776   15.9583 C      0
    8.4667    9.5314   14.9001 C      0
    9.9438   10.8898   18.1232 C      0
    6.8517    8.5643   12.5282 C      0
    7.7490    8.8549   11.4970 C      0
    8.5036    7.8428   10.9242 C      0
    8.3905    6.5279   11.3522 C      0
    7.4437    6.2332   12.3451 C      0
    6.6854    7.2296   12.9193 C      0
    9.3084    5.4679   10.8060 C      0
  1  2  1
  1  3  1
  2  9  1
  3 19  1
  3 26  1
  3 33  1
  4  9  1
  4 16  1
  5  8  2
  6  8  2
  7  9  2
  7 10  1
  8 13  1
 10 11  4
 10 15  4
 11 12  4
 12 13  4
 13 14  4
 14 15  4
 16 17  1
 16 18  1
 19 20  4
 19 24  4
 20 21  4
 21 22  4
 22 23  4
 22 25  1
 23 24  4
 26 27  4
 26 31  4
 27 28  4
 28 29  4
 29 30  4
 29 32  1
 30 31  4
 33 34  4
 33 38  4
 34 35  4
 35 36  4
 36 37  4
 36 39  1
 37 38  4
M  END
>  <MOL_ID>
molbank-2018-M1028-s003

>  <DOI>
10.3390/M1028

$$$$

File : molbank-2018-M1028-s002.mol

 71 74  0  0  0  0  0  0  0  0999 V2000
    3.9363    9.4326   14.1273 Au     0
    1.8271    9.1391   14.9945 S      0
    6.0622    9.8806   13.4870 P      0
    0.2133    7.1807   14.8797 O      0
    5.5325    9.5939    8.8600 O      0
    3.9530   10.9691    8.3631 O      0
    1.1284    7.5483   12.8400 N      0
    4.3837   10.0024    8.9803 N      0
    1.0471    7.8523   14.0606 C      0
    1.9316    8.1806   11.9054 C      0
    1.4666    9.2858   11.1812 C      0
    0.6059    9.6426   11.3665 H      0
    2.2472    9.8585   10.2035 C      0
    1.9278   10.6048    9.7099 H      0
    3.5015    9.3360    9.9471 C      0
    3.9905    8.2239   10.6217 C      0
    4.8449    7.8646   10.4135 H      0
    3.2000    7.6523   11.6056 C      0
    3.5184    6.8951   12.0830 H      0
   -0.6113    6.1114   14.2867 C      0
   -0.9781    6.4175   13.4082 H      0
    0.2236    4.8680   14.0839 C      0
    0.9342    5.0538   13.4350 H      0
   -0.3449    4.1441   13.7474 H      0
    0.6229    4.5997   14.9377 H      0
   -1.7385    5.8942   15.2571 C      0
   -1.3723    5.6779   16.1400 H      0
   -2.2994    5.1534   14.9457 H      0
   -2.2786    6.7096   15.3183 H      0
    6.1786   11.3863   12.4861 C      0
    5.0705   11.7941   11.7346 C      0
    4.2588   11.3030   11.7854 H      0
    5.1497   12.9009   10.9236 C      0
    4.3903   13.1639   10.4171 H      0
    6.3319   13.6482   10.8312 C      0
    7.4173   13.2426   11.5896 C      0
    8.2255   13.7396   11.5409 H      0
    7.3590   12.1345   12.4161 C      0
    8.1156   11.8832   12.9328 H      0
    6.4094   14.8588    9.9491 C      0
    7.3314   15.1905    9.9298 H      0
    5.8183   15.5572   10.3003 H      0
    6.1291   14.6198    9.0410 H      0
    7.2159   10.1599   14.8560 C      0
    6.8848   11.0550   15.8677 C      0
    6.0444   11.4974   15.8432 H      0
    7.7583   11.3119   16.9090 C      0
    7.5130   11.9290   17.5883 H      0
    8.9983   10.6714   16.9700 C      0
    9.3213    9.7776   15.9583 C      0
   10.1541    9.3218   15.9941 H      0
    8.4667    9.5314   14.9001 C      0
    8.7268    8.9379   14.2054 H      0
    9.9438   10.8898   18.1232 C      0
   10.1631   10.0273   18.5337 H      0
    9.5186   11.4697   18.7890 H      0
   10.7645   11.3144   17.7968 H      0
    6.8517    8.5643   12.5282 C      0
    7.7490    8.8549   11.4970 C      0
    7.8421    9.7483   11.1877 H      0
    8.5036    7.8428   10.9242 C      0
    9.1104    8.0539   10.2244 H      0
    8.3905    6.5279   11.3522 C      0
    7.4437    6.2332   12.3451 C      0
    7.3239    5.3334   12.6253 H      0
    6.6854    7.2296   12.9193 C      0
    6.0448    7.0099   13.5855 H      0
    9.3084    5.4679   10.8060 C      0
    9.2662    5.4721    9.8269 H      0
    9.0296    4.5902   11.1412 H      0
   10.2269    5.6510   11.0943 H      0
  1  2  1
  1  3  1
  2  9  1
  3 30  1
  3 44  1
  3 58  1
  4  9  1
  4 20  1
  5  8  2
  6  8  2
  7  9  2
  7 10  1
  8 15  1
 10 11  4
 10 18  4
 11 12  1
 11 13  4
 13 14  1
 13 15  4
 15 16  4
 16 17  1
 16 18  4
 18 19  1
 20 21  1
 20 22  1
 20 26  1
 22 23  1
 22 24  1
 22 25  1
 26 27  1
 26 28  1
 26 29  1
 30 31  4
 30 38  4
 31 32  1
 31 33  4
 33 34  1
 33 35  4
 35 36  4
 35 40  1
 36 37  1
 36 38  4
 38 39  1
 40 41  1
 40 42  1
 40 43  1
 44 45  4
 44 52  4
 45 46  1
 45 47  4
 47 48  1
 47 49  4
 49 50  4
 49 54  1
 50 51  1
 50 52  4
 52 53  1
 54 55  1
 54 56  1
 54 57  1
 58 59  4
 58 66  4
 59 60  1
 59 61  4
 61 62  1
 61 63  4
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 63 68  1
 64 65  1
 64 66  4
 66 67  1
 68 69  1
 68 70  1
 68 71  1
M  END
>  <MOL_ID>
molbank-2018-M1028-s002

>  <DOI>
10.3390/M1028

$$$$

File : molbank-2018-M1027-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -4.644061 0.618750 0.000000 0
M  V30 2 C -4.644061 -0.206250 0.000000 0
M  V30 3 C -3.929590 -0.618750 0.000000 0
M  V30 4 C -3.215119 -0.206250 0.000000 0
M  V30 5 C -3.215119 0.618750 0.000000 0
M  V30 6 C -3.929590 1.031250 0.000000 0
M  V30 7 O -2.500648 -0.618750 0.000000 0
M  V30 8 C -1.786177 -0.206250 0.000000 0
M  V30 9 C -1.786177 0.618750 0.000000 0
M  V30 10 C -2.500648 1.031250 0.000000 0
M  V30 11 C -0.357235 0.618750 0.000000 0
M  V30 12 C -1.071707 1.031250 0.000000 0
M  V30 13 C 1.071706 -0.206250 0.000000 0
M  V30 14 C 1.071706 0.618750 0.000000 0
M  V30 15 C 0.357236 1.031250 0.000000 0
M  V30 16 C 1.786177 -0.618750 0.000000 0
M  V30 17 C 2.500649 -0.206250 0.000000 0
M  V30 18 C 2.500649 0.618750 0.000000 0
M  V30 19 C 1.786177 1.031250 0.000000 0
M  V30 20 N 3.215120 -0.618750 0.000000 0
M  V30 21 C 3.929590 -0.206250 0.000000 0
M  V30 22 C 3.215120 -1.443750 0.000000 0
M  V30 23 C 3.929590 -1.856250 0.000000 0
M  V30 24 O 4.644061 -1.443750 0.000000 0
M  V30 25 C 4.644061 -0.618750 0.000000 0
M  V30 26 O -1.071707 1.856250 0.000000 0
M  V30 27 O -1.071707 -0.618750 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 2 9 10
M  V30 11 1 10 5
M  V30 12 1 11 12
M  V30 13 1 12 9
M  V30 14 2 13 14
M  V30 15 1 14 15
M  V30 16 2 15 11
M  V30 17 1 13 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 14
M  V30 22 1 17 20
M  V30 23 1 20 21
M  V30 24 1 20 22
M  V30 25 1 22 23
M  V30 26 1 23 24
M  V30 27 1 24 25
M  V30 28 1 25 21
M  V30 29 2 12 26
M  V30 30 2 27 8
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1027-s001

>  <DOI>
10.3390/M1027

$$$$

File : molbank-2018-M1026-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 16 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.002297 1.820863 0.000000 0
M  V30 2 C -1.002297 0.995863 0.000000 0
M  V30 3 N -0.287826 0.583363 0.000000 0 CHG=1
M  V30 4 C 0.426645 0.995863 0.000000 0
M  V30 5 C 0.426645 1.820863 0.000000 0
M  V30 6 C -0.287826 2.233363 0.000000 0
M  V30 7 N 1.211267 0.740924 0.000000 0
M  V30 8 C 1.696189 1.408363 0.000000 0
M  V30 9 C 1.211267 2.075802 0.000000 0
M  V30 10 C -0.287826 -0.241637 0.000000 0 CHG=-1
M  V30 11 C -0.871189 -0.825000 0.000000 0
M  V30 12 C -0.287826 -1.408363 0.000000 0
M  V30 13 C 0.295537 -0.825000 0.000000 0
M  V30 14 O 1.120537 -0.825000 0.000000 0
M  V30 15 O -1.696189 -0.825000 0.000000 0
M  V30 16 O -0.287826 -2.233363 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 5
M  V30 11 1 3 10
M  V30 12 1 10 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 10
M  V30 16 2 13 14
M  V30 17 2 11 15
M  V30 18 2 12 16
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1026-s001

>  <DOI>
10.3390/M1026

$$$$

File : molbank-2018-M1025-s001.mol

 52 57  0  0  0  0  0  0  0  0999 V2000
    8.5595    4.2941    5.7747 Ru     0
    6.8317    2.5982    5.8620 Cl     0
    9.8696    2.8841    4.3254 Cl     0
    7.4842    4.9571    3.7954 P      0
   10.9149    7.5543    0.8638 N      0
    6.1129    1.6017    0.0980 N      0
    3.7635    3.0604    3.7028 N      0
    8.3702    6.1702    2.7446 C      0
    7.7992    6.3965    1.9682 H      0
    8.5125    6.9998    3.2653 H      0
    9.7290    5.6687    2.2307 C      0
   10.2942    5.3975    2.9965 H      0
    9.5938    4.8771    1.6526 H      0
   10.4035    6.7285    1.4684 C      0
    7.1424    3.5498    2.6712 C      0
    8.0099    3.1527    2.4052 H      0
    6.6499    2.8612    3.1838 H      0
    6.3455    3.8502    1.3923 C      0
    5.4547    4.2119    1.6249 H      0
    6.8224    4.5242    0.8462 H      0
    6.1979    2.6020    0.6336 C      0
    5.8964    5.8629    3.9803 C      0
    6.0896    6.7450    4.3873 H      0
    5.5297    6.0292    3.0763 H      0
    4.8062    5.1762    4.8218 C      0
    5.1931    4.9232    5.6965 H      0
    4.0804    5.8275    4.9925 H      0
    4.2278    3.9798    4.2012 C      0
   10.2922    5.5878    6.2785 C      0
   10.3497    4.4016    7.0639 C      0
   11.1363    3.8704    7.0405 H      0
    9.2798    3.9969    7.8704 C      0
    9.3569    3.2090    8.3948 H      0
    8.0752    4.7601    7.9089 C      0
    7.9930    5.9331    7.1253 C      0
    7.1984    6.4541    7.1376 H      0
    9.0932    6.3409    6.3159 C      0
    9.0211    7.1307    5.7936 H      0
   11.4758    6.0102    5.4650 C      0
   11.2118    6.7266    4.8503 H      0
   11.8078    5.2451    4.9509 H      0
   12.1831    6.3352    6.0607 H      0
    6.8945    4.3466    8.7709 C      0
    6.1000    4.2498    8.1711 H      0
    7.0942    3.0244    9.4902 C      0
    7.2374    2.3124    8.8318 H      0
    6.2987    2.8195   10.0248 H      0
    7.8758    3.0870   10.0786 H      0
    6.5809    5.4613    9.7874 C      0
    5.8193    5.1920   10.3439 H      0
    6.3594    6.2872    9.3087 H      0
    7.3638    5.6144   10.3561 H      0
  1  2  1
  1  3  1
  1  4  1
  1 29  1
  1 30  1
  1 32  1
  1 34  1
  1 35  1
  1 37  1
  4  8  1
  4 15  1
  4 22  1
  5 14  1
  6 21  1
  7 28  1
  8  9  1
  8 10  1
  8 11  1
 11 12  1
 11 13  1
 11 14  1
 15 16  1
 15 17  1
 15 18  1
 18 19  1
 18 20  1
 18 21  1
 22 23  1
 22 24  1
 22 25  1
 25 26  1
 25 27  1
 25 28  1
 29 30  1
 29 37  1
 29 39  1
 30 31  1
 30 32  1
 32 33  1
 32 34  1
 34 35  1
 34 43  1
 35 36  1
 35 37  1
 37 38  1
 39 40  1
 39 41  1
 39 42  1
 43 44  1
 43 45  1
 43 49  1
 45 46  1
 45 47  1
 45 48  1
 49 50  1
 49 51  1
 49 52  1
M  END
>  <MOL_ID>
molbank-2018-M1025-s001

>  <DOI>
10.3390/M1025

$$$$

File : molbank-2018-M1024-s004.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 51 58 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N -5.749139 2.515726 0.304642 0
M  V30 2 C -5.759474 0.995467 0.213903 0
M  V30 3 N -4.454667 0.232714 0.019178 0
M  V30 4 C -3.136981 0.995467 -0.084783 0
M  V30 5 C -3.126648 2.515726 0.005954 0
M  V30 6 C -4.433979 3.275751 0.200802 0
M  V30 7 N -1.701733 0.525434 -0.276671 0
M  V30 8 C -0.803195 1.755492 -0.304642 0
M  V30 9 N -1.685009 2.985757 -0.129824 0
M  V30 10 C -0.940233 -0.793522 0.026221 0
M  V30 11 C 0.582767 -0.793522 0.026221 0
M  V30 12 O 1.344267 -2.112479 0.026221 0
M  V30 13 C 2.867267 -2.112479 0.026221 0
M  V30 14 N -7.083050 0.242024 0.213903 0
M  V30 15 C 3.628767 -3.431434 0.026221 0
M  V30 16 O 3.628767 -0.793522 0.026221 0
M  V30 17 C 5.151767 -3.431434 0.026221 0
M  V30 18 C 5.545948 -1.960330 0.026221 0
M  V30 19 C 5.545948 -4.902540 0.026221 0
M  V30 20 C 6.674767 -3.431434 0.026221 0
M  V30 21 C 7.017052 -1.566147 0.026221 0
M  V30 22 C 7.411233 -0.095043 0.026221 0
M  V30 23 C 6.334310 0.981881 0.026221 0
M  V30 24 C 4.863204 0.587699 0.026221 0
M  V30 25 C 4.469023 -0.883405 0.026221 0
M  V30 26 C 7.436267 -4.750391 0.026221 0
M  V30 27 C 8.959267 -4.750391 0.026221 0
M  V30 28 C 9.720767 -3.431434 0.026221 0
M  V30 29 C 8.959267 -2.112479 0.026221 0
M  V30 30 C 7.436267 -2.112479 0.026221 0
M  V30 31 C 4.469023 -5.979463 0.026221 0
M  V30 32 C 4.863204 -7.450569 0.026221 0
M  V30 33 C 6.334310 -7.844750 0.026221 0
M  V30 34 C 7.411233 -6.767827 0.026221 0
M  V30 35 C 7.017052 -5.296721 0.026221 0
M  V30 36 N -4.432007 4.798751 0.200802 0
M  V30 37 C -8.392621 1.019555 0.026221 0
M  V30 38 C -9.720767 0.242024 0.026221 0
M  V30 39 C -9.720767 -1.280861 0.026221 0
M  V30 40 C -8.392621 -2.058391 0.026221 0
M  V30 41 C -7.083050 -1.280861 0.026221 0
M  V30 42 C -3.113545 5.561108 0.026221 0
M  V30 43 C -3.113545 7.084107 0.026221 0
M  V30 44 C -4.432007 7.844750 0.026221 0
M  V30 45 C -5.750468 7.084107 0.026221 0
M  V30 46 C -5.750468 5.561108 0.026221 0
M  V30 47 C 0.719789 1.748636 -0.304642 0
M  V30 48 S 1.613976 0.515770 0.026221 0
M  V30 49 C 3.062821 0.985217 0.026221 0
M  V30 50 C 3.062821 2.508217 0.026221 0
M  V30 51 C 1.613976 2.980036 0.026221 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 2 1 6
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 5 9
M  V30 11 1 7 10
M  V30 12 1 10 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 2 14
M  V30 16 1 13 15
M  V30 17 2 13 16
M  V30 18 1 15 17
M  V30 19 1 17 18
M  V30 20 1 17 19
M  V30 21 1 17 20
M  V30 22 2 18 21
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 25 1 23 24
M  V30 26 2 24 25
M  V30 27 1 25 18
M  V30 28 2 20 26
M  V30 29 1 26 27
M  V30 30 2 27 28
M  V30 31 1 28 29
M  V30 32 2 29 30
M  V30 33 1 30 20
M  V30 34 2 19 31
M  V30 35 1 31 32
M  V30 36 2 32 33
M  V30 37 1 33 34
M  V30 38 2 34 35
M  V30 39 1 35 19
M  V30 40 1 6 36
M  V30 41 1 14 37
M  V30 42 1 37 38
M  V30 43 1 38 39
M  V30 44 1 39 40
M  V30 45 1 40 41
M  V30 46 1 41 14
M  V30 47 1 36 42
M  V30 48 1 42 43
M  V30 49 1 43 44
M  V30 50 1 44 45
M  V30 51 1 45 46
M  V30 52 1 46 36
M  V30 53 1 8 47
M  V30 54 1 47 48
M  V30 55 1 48 49
M  V30 56 2 49 50
M  V30 57 1 50 51
M  V30 58 2 51 47
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1024-s004

>  <DOI>
10.3390/M1024

$$$$

File : molbank-2018-M1024-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 51 58 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N -5.749139 2.515726 0.304642 0
M  V30 2 C -5.759474 0.995467 0.213903 0
M  V30 3 N -4.454667 0.232714 0.019178 0
M  V30 4 C -3.136981 0.995467 -0.084783 0
M  V30 5 C -3.126648 2.515726 0.005954 0
M  V30 6 C -4.433979 3.275751 0.200802 0
M  V30 7 N -1.701733 0.525434 -0.276671 0
M  V30 8 C -0.803195 1.755492 -0.304642 0
M  V30 9 N -1.685009 2.985757 -0.129824 0
M  V30 10 C -0.940233 -0.793522 0.026221 0
M  V30 11 C 0.582767 -0.793522 0.026221 0
M  V30 12 O 1.344267 -2.112479 0.026221 0
M  V30 13 C 2.867267 -2.112479 0.026221 0
M  V30 14 N -7.083050 0.242024 0.213903 0
M  V30 15 C 3.628767 -3.431434 0.026221 0
M  V30 16 O 3.628767 -0.793522 0.026221 0
M  V30 17 C 5.151767 -3.431434 0.026221 0
M  V30 18 C 5.545948 -1.960330 0.026221 0
M  V30 19 C 5.545948 -4.902540 0.026221 0
M  V30 20 C 6.674767 -3.431434 0.026221 0
M  V30 21 C 7.017052 -1.566147 0.026221 0
M  V30 22 C 7.411233 -0.095043 0.026221 0
M  V30 23 C 6.334310 0.981881 0.026221 0
M  V30 24 C 4.863204 0.587699 0.026221 0
M  V30 25 C 4.469023 -0.883405 0.026221 0
M  V30 26 C 7.436267 -4.750391 0.026221 0
M  V30 27 C 8.959267 -4.750391 0.026221 0
M  V30 28 C 9.720767 -3.431434 0.026221 0
M  V30 29 C 8.959267 -2.112479 0.026221 0
M  V30 30 C 7.436267 -2.112479 0.026221 0
M  V30 31 C 4.469023 -5.979463 0.026221 0
M  V30 32 C 4.863204 -7.450569 0.026221 0
M  V30 33 C 6.334310 -7.844750 0.026221 0
M  V30 34 C 7.411233 -6.767827 0.026221 0
M  V30 35 C 7.017052 -5.296721 0.026221 0
M  V30 36 N -4.432007 4.798751 0.200802 0
M  V30 37 C -8.392621 1.019555 0.026221 0
M  V30 38 C -9.720767 0.242024 0.026221 0
M  V30 39 C -9.720767 -1.280861 0.026221 0
M  V30 40 C -8.392621 -2.058391 0.026221 0
M  V30 41 C -7.083050 -1.280861 0.026221 0
M  V30 42 C -3.113545 5.561108 0.026221 0
M  V30 43 C -3.113545 7.084107 0.026221 0
M  V30 44 C -4.432007 7.844750 0.026221 0
M  V30 45 C -5.750468 7.084107 0.026221 0
M  V30 46 C -5.750468 5.561108 0.026221 0
M  V30 47 C 0.719789 1.748636 -0.304642 0
M  V30 48 C 1.613976 0.515770 0.026221 0
M  V30 49 S 3.062821 0.985217 0.026221 0
M  V30 50 C 3.062821 2.508217 0.026221 0
M  V30 51 C 1.613976 2.980036 0.026221 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 2 1 6
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 5 9
M  V30 11 1 7 10
M  V30 12 1 10 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 2 14
M  V30 16 1 13 15
M  V30 17 2 13 16
M  V30 18 1 15 17
M  V30 19 1 17 18
M  V30 20 1 17 19
M  V30 21 1 17 20
M  V30 22 2 18 21
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 25 1 23 24
M  V30 26 2 24 25
M  V30 27 1 25 18
M  V30 28 2 20 26
M  V30 29 1 26 27
M  V30 30 2 27 28
M  V30 31 1 28 29
M  V30 32 2 29 30
M  V30 33 1 30 20
M  V30 34 2 19 31
M  V30 35 1 31 32
M  V30 36 2 32 33
M  V30 37 1 33 34
M  V30 38 2 34 35
M  V30 39 1 35 19
M  V30 40 1 6 36
M  V30 41 1 14 37
M  V30 42 1 37 38
M  V30 43 1 38 39
M  V30 44 1 39 40
M  V30 45 1 40 41
M  V30 46 1 41 14
M  V30 47 1 36 42
M  V30 48 1 42 43
M  V30 49 1 43 44
M  V30 50 1 44 45
M  V30 51 1 45 46
M  V30 52 1 46 36
M  V30 53 1 8 47
M  V30 54 2 47 48
M  V30 55 1 48 49
M  V30 56 1 49 50
M  V30 57 2 50 51
M  V30 58 1 51 47
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1024-s003

>  <DOI>
10.3390/M1024

$$$$

File : molbank-2018-M1024-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 51 58 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N -5.749139 2.515726 0.304642 0
M  V30 2 C -5.759474 0.995467 0.213903 0
M  V30 3 N -4.454667 0.232714 0.019178 0
M  V30 4 C -3.136981 0.995467 -0.084783 0
M  V30 5 C -3.126648 2.515726 0.005954 0
M  V30 6 C -4.433979 3.275751 0.200802 0
M  V30 7 N -1.701733 0.525434 -0.276671 0
M  V30 8 C -0.803195 1.755492 -0.304642 0
M  V30 9 N -1.685009 2.985757 -0.129824 0
M  V30 10 C -0.940233 -0.793522 0.026221 0
M  V30 11 C 0.582767 -0.793522 0.026221 0
M  V30 12 O 1.344267 -2.112479 0.026221 0
M  V30 13 C 2.867267 -2.112479 0.026221 0
M  V30 14 N -7.083050 0.242024 0.213903 0
M  V30 15 C 3.628767 -3.431434 0.026221 0
M  V30 16 O 3.628767 -0.793522 0.026221 0
M  V30 17 C 5.151767 -3.431434 0.026221 0
M  V30 18 C 5.545948 -1.960330 0.026221 0
M  V30 19 C 5.545948 -4.902540 0.026221 0
M  V30 20 C 6.674767 -3.431434 0.026221 0
M  V30 21 C 7.017052 -1.566147 0.026221 0
M  V30 22 C 7.411233 -0.095043 0.026221 0
M  V30 23 C 6.334310 0.981881 0.026221 0
M  V30 24 C 4.863204 0.587699 0.026221 0
M  V30 25 C 4.469023 -0.883405 0.026221 0
M  V30 26 C 7.436267 -4.750391 0.026221 0
M  V30 27 C 8.959267 -4.750391 0.026221 0
M  V30 28 C 9.720767 -3.431434 0.026221 0
M  V30 29 C 8.959267 -2.112479 0.026221 0
M  V30 30 C 7.436267 -2.112479 0.026221 0
M  V30 31 C 4.469023 -5.979463 0.026221 0
M  V30 32 C 4.863204 -7.450569 0.026221 0
M  V30 33 C 6.334310 -7.844750 0.026221 0
M  V30 34 C 7.411233 -6.767827 0.026221 0
M  V30 35 C 7.017052 -5.296721 0.026221 0
M  V30 36 N -4.432007 4.798751 0.200802 0
M  V30 37 C -8.392621 1.019555 0.026221 0
M  V30 38 C -9.720767 0.242024 0.026221 0
M  V30 39 C -9.720767 -1.280861 0.026221 0
M  V30 40 C -8.392621 -2.058391 0.026221 0
M  V30 41 C -7.083050 -1.280861 0.026221 0
M  V30 42 C -3.113545 5.561108 0.026221 0
M  V30 43 C -3.113545 7.084107 0.026221 0
M  V30 44 C -4.432007 7.844750 0.026221 0
M  V30 45 C -5.750468 7.084107 0.026221 0
M  V30 46 C -5.750468 5.561108 0.026221 0
M  V30 47 C 0.719789 1.748636 -0.304642 0
M  V30 48 C 1.613976 0.515770 0.026221 0
M  V30 49 O 3.062821 0.985217 0.026221 0
M  V30 50 C 3.062821 2.508217 0.026221 0
M  V30 51 C 1.613976 2.980036 0.026221 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 2 1 6
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 5 9
M  V30 11 1 7 10
M  V30 12 1 10 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 2 14
M  V30 16 1 13 15
M  V30 17 2 13 16
M  V30 18 1 15 17
M  V30 19 1 17 18
M  V30 20 1 17 19
M  V30 21 1 17 20
M  V30 22 2 18 21
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 25 1 23 24
M  V30 26 2 24 25
M  V30 27 1 25 18
M  V30 28 2 20 26
M  V30 29 1 26 27
M  V30 30 2 27 28
M  V30 31 1 28 29
M  V30 32 2 29 30
M  V30 33 1 30 20
M  V30 34 2 19 31
M  V30 35 1 31 32
M  V30 36 2 32 33
M  V30 37 1 33 34
M  V30 38 2 34 35
M  V30 39 1 35 19
M  V30 40 1 6 36
M  V30 41 1 14 37
M  V30 42 1 37 38
M  V30 43 1 38 39
M  V30 44 1 39 40
M  V30 45 1 40 41
M  V30 46 1 41 14
M  V30 47 1 36 42
M  V30 48 1 42 43
M  V30 49 1 43 44
M  V30 50 1 44 45
M  V30 51 1 45 46
M  V30 52 1 46 36
M  V30 53 1 8 47
M  V30 54 2 47 48
M  V30 55 1 48 49
M  V30 56 1 49 50
M  V30 57 2 50 51
M  V30 58 1 51 47
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1024-s002

>  <DOI>
10.3390/M1024

$$$$

File : molbank-2018-M1023-s002.mol

 39 45  0  0  0  0  0  0  0  0999 V2000
    2.9400    0.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <DOI>
10.3390/M1023

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>  <MOL_ID>
molbank-2018-M1021-s002

>  <DOI>
10.3390/M1021

$$$$

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>  <MOL_ID>
molbank-2018-M1020-s003

>  <DOI>
10.3390/M1020

$$$$

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>  <MOL_ID>
molbank-2018-M1020-s002

>  <DOI>
10.3390/M1020

$$$$

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molbank-2018-M1019-s001

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2018-M1018-s002

>  <DOI>
10.3390/M1018

$$$$

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molbank-2018-M1017-s002

>  <DOI>
10.3390/M1017

$$$$

File : molbank-2018-M1016-s001.mol

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>  <MOL_ID>
molbank-2018-M1016-s001

>  <DOI>
10.3390/M1016

$$$$

File : molbank-2018-M1015-s002.mol

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M  END
>  <MOL_ID>
molbank-2018-M1015-s002

>  <DOI>
10.3390/M1015

$$$$

File : molbank-2018-M1014-s001.mol

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>  <MOL_ID>
molbank-2018-M1014-s001

>  <DOI>
10.3390/M1014

$$$$

File : molbank-2018-M1013-s001.mol

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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1013-s001

>  <DOI>
10.3390/M1013

$$$$

File : molbank-2018-M1012-s001.mol

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>  <MOL_ID>
molbank-2018-M1012-s001

>  <DOI>
10.3390/M1012

$$$$

File : molbank-2018-M1011-s002.mol

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M  V30 END ATOM
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1011-s002

>  <DOI>
10.3390/M1011

$$$$

File : molbank-2018-M1009-s002.mol

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>  <MOL_ID>
molbank-2018-M1009-s002

>  <DOI>
10.3390/M1009

$$$$

File : molbank-2018-M1010-s002.mol

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M  END
>  <MOL_ID>
molbank-2018-M1010-s002

>  <DOI>
10.3390/M1010

$$$$

File : molbank-2018-M1010-s001.mol

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>  <MOL_ID>
molbank-2018-M1010-s001

>  <DOI>
10.3390/M1010

$$$$

File : molbank-2018-M1008-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.439032 -1.147021 0.000000 0
M  V30 2 C -2.439032 -1.972021 0.000000 0
M  V30 3 C -1.724561 -2.384521 0.000000 0
M  V30 4 C -1.010090 -1.972021 0.000000 0
M  V30 5 C -1.010090 -1.147021 0.000000 0
M  V30 6 C -1.724561 -0.734521 0.000000 0
M  V30 7 C -3.153502 -2.384521 0.000000 0
M  V30 8 S -0.295618 -0.734521 0.000000 0
M  V30 9 N 0.418853 -1.147021 0.000000 0
M  V30 10 O -0.295618 0.090479 0.000000 0
M  V30 11 O 0.418853 -0.322021 0.000000 0
M  V30 12 C 1.133323 -0.734521 0.000000 0
M  V30 13 C 1.847794 -1.147021 0.000000 0
M  V30 14 C 1.133323 0.090479 0.000000 0
M  V30 15 C 1.847794 0.502979 0.000000 0
M  V30 16 O 1.934030 -1.967501 0.000000 0
M  V30 17 C 2.741002 -2.139029 0.000000 0
M  V30 18 N 3.153502 -1.424557 0.000000 0
M  V30 19 N 2.601469 -0.811463 0.000000 0
M  V30 20 C 2.601469 0.167421 0.000000 0
M  V30 21 N 3.153502 0.780515 0.000000 0
M  V30 22 C 2.741002 1.494987 0.000000 0
M  V30 23 C 1.934030 1.323459 0.000000 0
M  V30 24 C 2.995941 2.279608 0.000000 0
M  V30 25 C 2.443908 2.892703 0.000000 0
M  V30 26 C 1.636937 2.721176 0.000000 0
M  V30 27 C 1.381998 1.936554 0.000000 0
M  V30 28 S 3.076560 -2.892703 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 2 7
M  V30 8 1 5 8
M  V30 9 1 8 9
M  V30 10 2 8 10
M  V30 11 2 8 11
M  V30 12 1 9 12
M  V30 13 1 12 13
M  V30 14 1 12 14
M  V30 15 1 14 15
M  V30 16 1 13 16
M  V30 17 1 16 17
M  V30 18 1 17 18
M  V30 19 1 18 19
M  V30 20 2 19 13
M  V30 21 2 15 20
M  V30 22 1 20 21
M  V30 23 1 21 22
M  V30 24 2 22 23
M  V30 25 1 23 15
M  V30 26 1 22 24
M  V30 27 2 24 25
M  V30 28 1 25 26
M  V30 29 2 26 27
M  V30 30 1 27 23
M  V30 31 2 17 28
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1008-s002

>  <DOI>
10.3390/M1008

$$$$

File : molbank-2018-M1007-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 29 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.221848 0.164948 0.000000 0
M  V30 2 C -2.221848 -0.494844 0.000000 0
M  V30 3 C -1.650451 -0.824740 0.000000 0
M  V30 4 C -1.079054 -0.494844 0.000000 0
M  V30 5 C -1.079054 0.164948 0.000000 0
M  V30 6 C -1.650451 0.494844 0.000000 0
M  V30 7 C -0.507657 -0.824740 0.000000 0
M  V30 8 C 0.063740 -0.494844 0.000000 0
M  V30 9 C 0.063740 0.164948 0.000000 0
M  V30 10 O -0.507657 0.494844 0.000000 0
M  V30 11 C 1.206533 0.164948 0.000000 0
M  V30 12 C 0.635136 0.494844 0.000000 0
M  V30 13 C 0.635136 1.154636 0.000000 0
M  V30 14 O -2.793244 0.494844 0.000000 0
M  V30 15 C 1.777930 0.494844 0.000000 0
M  V30 16 O -0.507657 -1.484532 0.000000 0
M  V30 17 C 1.777930 1.154636 0.000000 0
M  V30 18 C 1.206533 1.484532 0.000000 0
M  V30 19 O -1.650451 -1.484532 0.000000 0
M  V30 20 O 2.405429 0.290957 0.000000 0
M  V30 21 C 2.793245 0.824740 0.000000 0
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M  V30 24 C -2.793245 -1.483640 0.000000 0
M  V30 25 O 0.635136 -0.824740 0.000000 0
M  V30 26 C 1.206713 -0.494740 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 23 24
M  V30 2 1 2 23
M  V30 3 1 25 26
M  V30 4 1 8 25
M  V30 5 2 1 2
M  V30 6 1 2 3
M  V30 7 2 3 4
M  V30 8 1 4 5
M  V30 9 2 5 6
M  V30 10 1 6 1
M  V30 11 1 4 7
M  V30 12 1 7 8
M  V30 13 2 8 9
M  V30 14 1 9 10
M  V30 15 1 10 5
M  V30 16 2 11 12
M  V30 17 1 12 9
M  V30 18 1 12 13
M  V30 19 1 1 14
M  V30 20 1 15 11
M  V30 21 2 7 16
M  V30 22 2 15 17
M  V30 23 1 17 18
M  V30 24 2 18 13
M  V30 25 1 19 3
M  V30 26 1 15 20
M  V30 27 1 20 21
M  V30 28 1 21 22
M  V30 29 1 22 17
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 23 24) XBONDS=(1 2) LABEL="^OCH3" CSTATE=(4 2 -
M  V30 0.571397 0.329896 0)
M  V30 2 SUP 2 ATOMS=(2 25 26) XBONDS=(1 4) LABEL=OCH3 CSTATE=(4 4 -0.571397 -
M  V30 0.329896 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1007-s001

>  <DOI>
10.3390/M1007

$$$$

File : molbank-2018-M1006-s001.mol

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M  V30 BEGIN ATOM
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M  V30 18 C -3.627620 1.650000 0.000000 0
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M  V30 28 C -0.769736 -1.650000 0.000000 0
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M  V30 30 C 0.659206 -1.650000 0.000000 0
M  V30 31 C 1.373677 -1.237500 0.000000 0
M  V30 32 C 2.088148 -1.650000 0.000000 0
M  V30 33 C 2.913148 -1.650000 0.000000 0
M  V30 34 C 3.627619 -1.237500 0.000000 0
M  V30 35 C 4.342090 -1.650000 0.000000 0
M  V30 36 C 5.056561 -1.237500 0.000000 0
M  V30 37 C 5.771032 -1.650000 0.000000 0
M  V30 38 C 6.485503 -1.237500 0.000000 0
M  V30 39 C 7.199974 -1.650000 0.000000 0
M  V30 40 C 7.914445 -1.237500 0.000000 0
M  V30 41 C 8.628916 -1.650000 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 2 7 11
M  V30 13 1 9 12
M  V30 14 1 3 13
M  V30 15 1 1 14
M  V30 16 2 12 15
M  V30 17 1 15 16
M  V30 18 2 16 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 12
M  V30 22 1 8 20
M  V30 23 1 17 21
M  V30 24 1 18 22
M  V30 25 1 20 23
M  V30 26 2 23 24
M  V30 27 1 23 25
M  V30 28 1 25 26
M  V30 29 1 26 27
M  V30 30 1 27 28
M  V30 31 1 28 29
M  V30 32 1 29 30
M  V30 33 1 30 31
M  V30 34 1 31 32
M  V30 35 2 32 33
M  V30 36 1 33 34
M  V30 37 1 34 35
M  V30 38 1 35 36
M  V30 39 1 36 37
M  V30 40 1 37 38
M  V30 41 1 38 39
M  V30 42 1 39 40
M  V30 43 1 40 41
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M1006-s001

>  <DOI>
10.3390/M1006

$$$$

File : molbank-2018-M1005-s001.mol

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M  END
>  <MOL_ID>
molbank-2018-M1005-s001

>  <DOI>
10.3390/M1005

$$$$

File : molbank-2018-M1004-s002.mol

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>  <MOL_ID>
molbank-2018-M1004-s002

>  <DOI>
10.3390/M1004

$$$$

File : molbank-2018-M1003-s002.mol

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M  SAL   1  3  17  18  19
M  SBL   1  1  18
M  SMT   1 ^NO2
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  20  21  22
M  SBL   2  1  21
M  SMT   2 NO2
M  SBV   2  21   -0.8176   -0.0859
M  END
>  <MOL_ID>
molbank-2018-M1003-s002

>  <DOI>
10.3390/M1003

$$$$

File : molbank-2018-M1000-s002.mol

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M  END
>  <MOL_ID>
molbank-2018-M1000-s002

>  <DOI>
10.3390/M1000

$$$$

File : molbank-2018-M999-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 68 66 1 0 0
M  V30 BEGIN ATOM
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M  V30 10 H -3.636062 2.072662 0.366815 0
M  V30 11 Na 1.939367 -3.315396 0.366815 0
M  V30 12 O 1.224897 -3.727896 0.366815 0
M  V30 13 O 0.510426 -2.490396 0.366815 0
M  V30 14 C 0.510426 -3.315396 0.366815 0
M  V30 15 C -0.204045 -3.727896 0.366815 0
M  V30 16 Ir 2.572985 -0.159651 0.366815 0
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M  V30 51 C 4.790231 2.960170 0.366815 0
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M  V30 54 C 3.253178 3.557454 0.366815 0
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M  V30 58 Cl 2.731672 3.613673 0.366815 0
M  V30 59 C 1.481539 -0.276004 -2.112787 0
M  V30 60 C 1.625334 0.245137 -1.539104 0
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M  V30 67 C 2.141484 0.693167 2.304596 0
M  V30 68 C 1.665592 -1.048943 0.069655 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 2 6 7
M  V30 7 1 7 2
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M  V30 33 4 35 36
M  V30 34 4 36 37
M  V30 35 4 37 38
M  V30 36 4 34 38
M  V30 37 1 34 39
M  V30 38 1 37 40 CFG=1
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M  V30 42 1 46 47
M  V30 43 2 47 48
M  V30 44 1 48 49
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M  V30 53 1 44 57
M  V30 54 1 44 58
M  V30 55 1 53 44
M  V30 56 1 44 45
M  V30 57 4 59 60
M  V30 58 4 60 61
M  V30 59 4 61 62
M  V30 60 4 62 63
M  V30 61 4 59 63
M  V30 62 1 59 64
M  V30 63 1 62 65 CFG=1
M  V30 64 1 60 66
M  V30 65 1 61 67 CFG=1
M  V30 66 1 63 68
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 11 12 13 14 15) LABEL=NaOAc
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M999-s002

>  <DOI>
10.3390/M999

$$$$

File : molbank-2018-M998-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.143347 -2.867291 0.000000 0
M  V30 2 N 0.433877 -3.276904 0.000000 0
M  V30 3 C -0.275595 -2.867292 0.000000 0
M  V30 4 C -0.275595 -2.048066 0.000000 0
M  V30 5 C 0.433878 -1.638451 0.000000 0
M  V30 6 N 1.143347 -2.048066 0.000000 0
M  V30 7 N 1.922477 -1.794912 0.000000 0
M  V30 8 N 2.404007 -2.457678 0.000000 0
M  V30 9 N 1.922477 -3.120445 0.000000 0
M  V30 10 C -0.985066 -1.638452 0.000000 0
M  V30 11 O -0.985066 -0.819226 0.000000 0
M  V30 12 O -1.694535 -2.048066 0.000000 0
M  V30 13 C 0.433878 -0.819226 0.000000 0
M  V30 14 C -0.275595 -0.409613 0.000000 0
M  V30 15 C -0.275595 0.409613 0.000000 0
M  V30 16 C 0.433877 0.819226 0.000000 0
M  V30 17 C 1.143347 0.409613 0.000000 0
M  V30 18 C 1.143347 -0.409613 0.000000 0
M  V30 19 C 1.143347 2.867292 0.000000 0
M  V30 20 C 1.143347 2.048064 0.000000 0
M  V30 21 N 0.433877 1.638451 0.000000 0
M  V30 22 C -0.275596 2.048065 0.000000 0
M  V30 23 C -0.275596 2.867292 0.000000 0
M  V30 24 O 0.433876 3.276904 0.000000 0
M  V30 25 C -0.985066 -3.276904 0.000000 0
M  V30 26 C -2.404007 -1.638452 0.000000 0
M  V30 27 C -2.404007 -0.819227 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 1 6
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 9 1 6 7
M  V30 10 2 1 9
M  V30 11 2 10 11
M  V30 12 1 10 12
M  V30 13 1 4 10
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 17 2 16 17
M  V30 18 1 17 18
M  V30 19 2 13 18
M  V30 20 1 19 20
M  V30 21 1 20 21
M  V30 22 1 21 22
M  V30 23 1 22 23
M  V30 24 1 23 24
M  V30 25 1 19 24
M  V30 26 1 16 21
M  V30 27 1 5 13
M  V30 28 1 3 25
M  V30 29 1 26 27
M  V30 30 1 12 26
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M998-s002

>  <DOI>
10.3390/M998

$$$$

File : molbank-2018-M997-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.714470 -1.031250 0.000000 0
M  V30 2 C -0.714470 -0.206250 0.000000 0
M  V30 3 C -1.428941 0.206250 0.000000 0
M  V30 4 C -2.143413 -0.206250 0.000000 0
M  V30 5 C -2.143413 -1.031250 0.000000 0
M  V30 6 C -1.428941 -1.443749 0.000000 0
M  V30 7 O 0.000000 -1.443750 0.000000 0
M  V30 8 C 0.714471 -1.031250 0.000000 0
M  V30 9 N 0.714471 -0.206250 0.000000 0
M  V30 10 N 0.000000 0.206250 0.000000 0
M  V30 11 C 0.000000 1.031250 0.000000 0
M  V30 12 C 1.428942 -1.443750 0.000000 0
M  V30 13 F -1.428941 1.031250 0.000000 0
M  V30 14 F -2.857884 0.206250 0.000000 0
M  V30 15 F -2.857884 -1.443750 0.000000 0
M  V30 16 F -1.428941 -2.268750 0.000000 0
M  V30 17 C 0.714471 1.443750 0.000000 0
M  V30 18 C 0.714471 2.268750 0.000000 0
M  V30 19 C 0.000000 2.681250 0.000000 0
M  V30 20 C -0.714470 2.268750 0.000000 0
M  V30 21 C -0.714470 1.443750 0.000000 0
M  V30 22 N 1.428942 1.031250 0.000000 0 CHG=1
M  V30 23 O 2.143413 1.443751 0.000000 0
M  V30 24 O 1.428942 0.206250 0.000000 0 CHG=-1
M  V30 25 C 1.428942 -2.268750 0.000000 0
M  V30 26 C 2.143413 -2.681250 0.000000 0
M  V30 27 C 2.857884 -2.268750 0.000000 0
M  V30 28 C 2.857884 -1.443750 0.000000 0
M  V30 29 C 2.143413 -1.031250 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 9 10
M  V30 11 1 10 2
M  V30 12 1 10 11
M  V30 13 1 8 12
M  V30 14 1 3 13
M  V30 15 1 4 14
M  V30 16 1 5 15
M  V30 17 1 6 16
M  V30 18 2 11 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 2 20 21
M  V30 23 1 21 11
M  V30 24 1 17 22
M  V30 25 2 22 23
M  V30 26 1 22 24
M  V30 27 2 12 25
M  V30 28 1 25 26
M  V30 29 2 26 27
M  V30 30 1 27 28
M  V30 31 2 28 29
M  V30 32 1 29 12
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M997-s001

>  <DOI>
10.3390/M997

$$$$

File : molbank-2018-M996-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 17 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.428639 0.825031 0.000000 0
M  V30 2 C 1.428639 -0.000030 0.000000 0
M  V30 3 C 0.714186 -0.412561 0.000000 0
M  V30 4 C -0.000268 -0.000030 0.000000 0
M  V30 5 C -0.000268 0.825031 0.000000 0
M  V30 6 C 0.714186 1.237561 0.000000 0
M  V30 7 C 2.143092 -0.412561 0.000000 0
M  V30 8 C 2.857646 -0.000030 0.000000 0
M  V30 9 O -0.714821 1.237561 0.000000 0
M  V30 10 C -1.429274 0.825031 0.000000 0
M  V30 11 C -2.143728 1.237561 0.000000 0
M  V30 12 C -2.858282 0.825031 0.000000 0
M  V30 13 C -3.572734 1.237561 0.000000 0
M  V30 14 C -4.286588 0.825031 0.000000 0
M  V30 15 C 3.572099 -0.412561 0.000000 0
M  V30 16 O 4.286588 -0.000093 0.000000 0
M  V30 17 O 3.572064 -1.237561 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 15 16
M  V30 2 1 15 17
M  V30 3 1 8 15
M  V30 4 2 1 2
M  V30 5 1 2 3
M  V30 6 2 3 4
M  V30 7 1 4 5
M  V30 8 2 5 6
M  V30 9 1 6 1
M  V30 10 1 2 7
M  V30 11 2 7 8
M  V30 12 1 5 9
M  V30 13 1 9 10
M  V30 14 1 10 11
M  V30 15 1 11 12
M  V30 16 1 12 13
M  V30 17 2 13 14
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 15 16 17) XBONDS=(1 3) LABEL=CO2H CSTATE=(4 3 -
M  V30 -0.714453 0.412531 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M996-s002

>  <DOI>
10.3390/M996

$$$$

File : molbank-2018-M995-s002.mol

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  3 33  1  0
M  END
>  <MOL_ID>
molbank-2018-M995-s002

>  <DOI>
10.3390/M995

$$$$

File : molbank-2018-M994-s002.mol

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   -6.5954    0.1158   -1.2202 N      0
   -5.8530   -0.4491   -2.3440 C      0
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   -5.0672   -0.9114   -2.0132 H      0
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   -5.4263    0.6464   -3.3178 C      0
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   -6.1496   -0.1554    0.0894 C      0
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  6  8  1
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 29 30  1
 31 32  1
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M  END
>  <MOL_ID>
molbank-2018-M994-s002

>  <DOI>
10.3390/M994

$$$$

File : molbank-2018-M993-s002.mol

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M  END
>  <MOL_ID>
molbank-2018-M993-s002

>  <DOI>
10.3390/M993

$$$$

File : molbank-2018-M992-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 30 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.383715 1.111139 0.000000 0
M  V30 2 N -1.206555 1.581669 0.000000 0
M  V30 3 C -0.361372 0.045687 0.000000 0
M  V30 4 C -1.138975 -0.412320 0.000000 0
M  V30 5 C -1.131130 -1.314748 0.000000 0
M  V30 6 C -0.345682 -1.759168 0.000000 0
M  V30 7 C 0.431920 -1.301160 0.000000 0
M  V30 8 C 0.424075 -0.398733 0.000000 0
M  V30 9 C -0.673122 -2.092351 0.000000 0
M  V30 10 C 0.196526 -1.851207 0.000000 0
M  V30 11 C 1.113695 -2.099187 0.000000 0
M  V30 12 C 0.197601 -0.669187 0.000000 0
M  V30 13 H 1.201678 0.059275 0.000000 0
M  V30 14 H 0.416231 0.503695 0.000000 0
M  V30 15 H -1.924423 0.032099 0.000000 0
M  V30 16 H -1.146820 0.490108 0.000000 0
M  V30 17 H 1.315324 -0.284648 0.000000 0
M  V30 18 H 1.018629 -1.053726 0.000000 0
M  V30 19 H 2.000778 -2.660210 0.000000 0
M  V30 20 H 1.800930 -1.305858 0.000000 0
M  V30 21 H 0.199581 -2.801305 0.000000 0
M  V30 22 H -1.011219 -2.929088 0.000000 0
M  V30 23 H -0.072212 -2.765660 0.000000 0
M  V30 24 H -2.000778 -1.555891 0.000000 0
M  V30 25 H -0.337837 -2.661596 0.000000 0
M  V30 26 H -0.353527 -0.856740 0.000000 0
M  V30 27 N 0.435195 1.588475 0.000000 0
M  V30 28 O 0.429637 2.929088 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 27 28
M  V30 2 2 1 27
M  V30 3 1 1 2
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 7 8
M  V30 9 1 8 3
M  V30 10 1 5 9
M  V30 11 1 9 10
M  V30 12 1 7 11
M  V30 13 1 10 11
M  V30 14 1 3 12
M  V30 15 1 12 10
M  V30 16 1 3 1
M  V30 17 1 8 13
M  V30 18 1 8 14
M  V30 19 1 4 15
M  V30 20 1 4 16
M  V30 21 1 12 17
M  V30 22 1 12 18
M  V30 23 1 11 19
M  V30 24 1 11 20
M  V30 25 1 10 21
M  V30 26 1 9 22
M  V30 27 1 9 23
M  V30 28 1 5 24
M  V30 29 1 6 25
M  V30 30 1 6 26
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 27 28) XBONDS=(1 2) LABEL=NOH CSTATE=(4 2 -0.818910 -
M  V30 -0.477336 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M992-s001

>  <DOI>
10.3390/M992

$$$$

File : molbank-2018-M991-s002.mol

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M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 35 2 31 32
M  V30 36 1 32 33
M  V30 37 2 33 34
M  V30 38 1 34 29
M  V30 39 1 32 35
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M991-s002

>  <DOI>
10.3390/M991

$$$$

File : molbank-2018-M990-s003.mol

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>  <MOL_ID>
molbank-2018-M990-s003

>  <DOI>
10.3390/M990

$$$$

File : molbank-2018-M990-s002.mol

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>  <MOL_ID>
molbank-2018-M990-s002

>  <DOI>
10.3390/M990

$$$$

File : molbank-2018-M989-s002.mol

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>  <MOL_ID>
molbank-2018-M989-s002

>  <DOI>
10.3390/M989

$$$$

File : molbank-2018-M988-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 END ATOM
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M988-s001

>  <DOI>
10.3390/M988

$$$$

File : molbank-2018-M987-s002.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1 10  51  52  53  54  55  56  57  58  59  60
M  SBL   1  1  10
M  SMT   1 (CH2)9Me
M  SBV   1  10    0.7220   -0.6539
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2 10  61  62  63  64  65  66  67  68  69  70
M  SBL   2  1  20
M  SMT   2 (CH2)9Me
M  SBV   2  20   -0.6790    0.7399
M  END
>  <MOL_ID>
molbank-2018-M987-s002

>  <DOI>
10.3390/M987

$$$$

File : molbank-2018-M986-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 46 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.709900 -0.970193 0.000000 0
M  V30 2 N 1.406364 -0.530811 0.000000 0
M  V30 3 C -0.018848 -0.586730 0.000000 0
M  V30 4 C -0.715312 -1.026112 0.000000 0
M  V30 5 N -1.444060 -0.642648 0.000000 0
M  V30 6 O 0.364615 0.142019 0.000000 0
M  V30 7 H -0.458230 0.109734 0.000000 0
M  V30 8 C 2.826695 -0.400379 0.000000 0
M  V30 9 C 2.751390 0.419650 0.000000 0
M  V30 10 C 3.423904 0.894880 0.000000 0
M  V30 11 C 4.171722 0.550082 0.000000 0
M  V30 12 C 4.247027 -0.269947 0.000000 0
M  V30 13 C 3.574514 -0.745177 0.000000 0
M  V30 14 C 2.154182 -0.875609 0.000000 0
M  V30 15 H 2.229486 -1.695638 0.000000 0
M  V30 16 C 5.050192 -0.451731 0.000000 0
M  V30 17 C 5.471270 0.255950 0.000000 0
M  V30 18 N 4.928345 0.875104 0.000000 0
M  V30 19 C 5.452522 -1.170235 0.000000 0
M  V30 20 C 6.275930 -1.181059 0.000000 0
M  V30 21 C 6.697008 -0.473379 0.000000 0
M  V30 22 C 6.294678 0.245126 0.000000 0
M  V30 23 C 5.110129 1.678268 0.000000 0
M  V30 24 C 5.896582 1.922421 0.000000 0
M  V30 25 C -2.869272 -0.698567 0.000000 0
M  V30 26 C -2.901556 0.124280 0.000000 0
M  V30 27 C -3.630304 0.507743 0.000000 0
M  V30 28 C -4.326768 0.068361 0.000000 0
M  V30 29 C -4.294483 -0.754485 0.000000 0
M  V30 30 C -3.565735 -1.137949 0.000000 0
M  V30 31 C -2.140523 -1.082030 0.000000 0
M  V30 32 C -5.067080 -1.039464 0.000000 0
M  V30 33 C -5.576855 -0.392744 0.000000 0
M  V30 34 N -5.119318 0.291930 0.000000 0
M  V30 35 C -5.372268 -1.804303 0.000000 0
M  V30 36 C -6.187232 -1.922421 0.000000 0
M  V30 37 C -6.697008 -1.275701 0.000000 0
M  V30 38 C -6.391820 -0.510862 0.000000 0
M  V30 39 C -5.363471 1.078383 0.000000 0
M  V30 40 C -6.166635 1.260166 0.000000 0
M  V30 41 H -2.108239 -1.904877 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6
M  V30 6 1 3 7
M  V30 7 2 8 9
M  V30 8 1 9 10
M  V30 9 2 10 11
M  V30 10 1 11 12
M  V30 11 2 12 13
M  V30 12 1 13 8
M  V30 13 1 8 14
M  V30 14 1 14 15
M  V30 15 1 12 16
M  V30 16 2 16 17
M  V30 17 1 17 18
M  V30 18 1 18 11
M  V30 19 1 16 19
M  V30 20 2 19 20
M  V30 21 1 20 21
M  V30 22 2 21 22
M  V30 23 1 22 17
M  V30 24 1 18 23
M  V30 25 1 23 24
M  V30 26 2 2 14
M  V30 27 2 25 26
M  V30 28 1 26 27
M  V30 29 2 27 28
M  V30 30 1 28 29
M  V30 31 2 29 30
M  V30 32 1 30 25
M  V30 33 1 25 31
M  V30 34 1 29 32
M  V30 35 2 32 33
M  V30 36 1 33 34
M  V30 37 1 34 28
M  V30 38 1 32 35
M  V30 39 2 35 36
M  V30 40 1 36 37
M  V30 41 2 37 38
M  V30 42 1 38 33
M  V30 43 1 34 39
M  V30 44 1 39 40
M  V30 45 2 31 5
M  V30 46 1 31 41
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M986-s002

>  <DOI>
10.3390/M986

$$$$

File : molbank-2018-M985-s006.mol

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    3.0005   -1.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0
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 12 13  1  0
 13 14  1  0
 14  9  1  0
 14 15  2  0
M  CHG  2  22   1  24  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1 12  16  17  18  19  20  21  22  23  24  25  26  27
M  SBL   1  1  13
M  SMT   1 Ns
M  SBV   1  13   -0.2558   -0.7874
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  7  28  29  30  31  32  33  34
M  SBL   2  1  21
M  SMT   2 SPh
M  SBV   2  21   -0.8279    0.0000
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  5  35  36  37  38  39
M  SBL   3  1  26
M  SMT   3 COOEt
M  SBV   3  26   -0.8098   -0.1721
M  END
>  <MOL_ID>
molbank-2018-M985-s006

>  <DOI>
10.3390/M985

$$$$

File : molbank-2018-M985-s005.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 39 43 3 0 1
M  V30 BEGIN ATOM
M  V30 1 C -3.000534 -1.903270 0.000000 0
M  V30 2 C -3.000534 -2.731143 0.000000 0
M  V30 3 C -2.283574 -3.145080 0.000000 0
M  V30 4 C -1.566615 -2.731143 0.000000 0
M  V30 5 C -1.566615 -1.903270 0.000000 0
M  V30 6 C -2.283574 -1.489333 0.000000 0
M  V30 7 N -0.779261 -2.986970 0.000000 0
M  V30 8 C -0.292649 -2.317206 0.000000 0
M  V30 9 C -0.779261 -1.647443 0.000000 0
M  V30 10 C 0.030521 -1.475318 0.000000 0
M  V30 11 C 0.286348 -0.687963 0.000000 0
M  V30 12 N -0.267607 -0.072734 0.000000 0
M  V30 13 C -1.077391 -0.244858 0.000000 0
M  V30 14 C -1.333216 -1.032212 0.000000 0
M  V30 15 C -2.143000 -1.204338 0.000000 0
M  V30 16 C 0.242274 1.496519 0.000000 0
M  V30 17 C 1.046443 1.667451 0.000000 0
M  V30 18 C 1.300498 2.449349 0.000000 0
M  V30 19 C 0.750381 3.060314 0.000000 0
M  V30 20 C -0.053789 2.889383 0.000000 0
M  V30 21 C -0.307843 2.107485 0.000000 0
M  V30 22 N 1.004434 3.842212 0.000000 0 CHG=1
M  V30 23 O 1.808605 4.013144 0.000000 0
M  V30 24 O 0.454318 4.453178 0.000000 0 CHG=-1
M  V30 25 S -0.011781 0.714622 0.000000 0
M  V30 26 O -0.793678 0.968676 0.000000 0
M  V30 27 O 0.770118 0.460568 0.000000 0
M  V30 28 S 0.535224 -2.317206 0.000000 0
M  V30 29 C 0.946292 -3.029197 0.000000 0
M  V30 30 C 0.535224 -3.741187 0.000000 0
M  V30 31 C 0.946292 -4.453178 0.000000 0
M  V30 32 C 1.768428 -4.453178 0.000000 0
M  V30 33 C 2.179495 -3.741187 0.000000 0
M  V30 34 C 1.768428 -3.029197 0.000000 0
M  V30 35 C 1.096130 -0.515838 0.000000 0
M  V30 36 O 1.350184 0.266059 0.000000 0
M  V30 37 O 1.646247 -1.126804 0.000000 0
M  V30 38 C 3.000534 -1.566836 0.000000 0
M  V30 39 C 2.450417 -0.955871 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 25 26
M  V30 2 2 25 27
M  V30 3 2 22 23
M  V30 4 1 22 24
M  V30 5 2 20 21
M  V30 6 1 19 20
M  V30 7 1 19 22
M  V30 8 2 18 19
M  V30 9 1 17 18
M  V30 10 2 16 17
M  V30 11 1 16 21
M  V30 12 1 16 25
M  V30 13 1 12 25
M  V30 14 2 33 34
M  V30 15 1 32 33
M  V30 16 2 31 32
M  V30 17 1 30 31
M  V30 18 2 29 30
M  V30 19 1 29 34
M  V30 20 1 28 29
M  V30 21 1 8 28
M  V30 22 1 38 39
M  V30 23 1 37 39
M  V30 24 2 35 36
M  V30 25 1 35 37
M  V30 26 1 11 35 CFG=3
M  V30 27 2 1 2
M  V30 28 1 2 3
M  V30 29 2 3 4
M  V30 30 1 4 5
M  V30 31 2 5 6
M  V30 32 1 6 1
M  V30 33 1 4 7
M  V30 34 2 7 8
M  V30 35 1 8 9
M  V30 36 1 9 5
M  V30 37 1 9 10
M  V30 38 1 10 11
M  V30 39 1 11 12
M  V30 40 1 12 13
M  V30 41 1 13 14
M  V30 42 1 14 9
M  V30 43 2 14 15
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(12 16 17 18 19 20 21 22 23 24 25 26 27) XBONDS=(1 13) -
M  V30 LABEL=Ns CSTATE=(4 13 -0.255826 -0.787356 0)
M  V30 2 SUP 2 ATOMS=(7 28 29 30 31 32 33 34) XBONDS=(1 21) LABEL=SPh -
M  V30 CSTATE=(4 21 -0.827873 0.000000 0)
M  V30 3 SUP 3 ATOMS=(5 35 36 37 38 39) XBONDS=(1 26) LABEL=COOEt CSTATE=(4 -
M  V30 26 -0.809782 -0.172125 0)
M  V30 END SGROUP
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 11)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M985-s005

>  <DOI>
10.3390/M985

$$$$

File : molbank-2018-M985-s004.mol

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    1.4107    3.8370    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0
 25 27  2  0
 22 23  2  0
 22 24  1  0
 20 21  2  0
 19 20  1  0
 19 22  1  0
 18 19  2  0
 17 18  1  0
 16 17  2  0
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 16 25  1  0
 12 25  1  0
 33 34  2  0
 32 33  1  0
 31 32  2  0
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 29 30  2  0
 29 34  1  0
 28 29  1  0
  8 28  1  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 14 15  2  0
M  CHG  2  22   1  24  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1 12  16  17  18  19  20  21  22  23  24  25  26  27
M  SBL   1  1  13
M  SMT   1 Ns
M  SBV   1  13   -0.2549   -0.7846
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  7  28  29  30  31  32  33  34
M  SBL   2  1  21
M  SMT   2 SPh
M  SBV   2  21   -0.8250    0.0000
M  END
>  <MOL_ID>
molbank-2018-M985-s004

>  <DOI>
10.3390/M985

$$$$

File : molbank-2018-M985-s003.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 34 38 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.583878 -1.899444 0.000000 0
M  V30 2 C -2.583878 -2.724444 0.000000 0
M  V30 3 C -1.869407 -3.136944 0.000000 0
M  V30 4 C -1.154937 -2.724444 0.000000 0
M  V30 5 C -1.154937 -1.899444 0.000000 0
M  V30 6 C -1.869407 -1.486944 0.000000 0
M  V30 7 N -0.370315 -2.979382 0.000000 0
M  V30 8 C 0.114608 -2.311944 0.000000 0
M  V30 9 C -0.370315 -1.644505 0.000000 0
M  V30 10 C 0.436656 -1.472978 0.000000 0
M  V30 11 C 0.691595 -0.688356 0.000000 0
M  V30 12 N 0.139562 -0.075262 0.000000 0
M  V30 13 C -0.667410 -0.246789 0.000000 0
M  V30 14 C -0.922348 -1.031410 0.000000 0
M  V30 15 C -1.729321 -1.202938 0.000000 0
M  V30 16 C 0.648555 1.491258 0.000000 0
M  V30 17 C 1.452724 1.662190 0.000000 0
M  V30 18 C 1.706779 2.444087 0.000000 0
M  V30 19 C 1.156662 3.055053 0.000000 0
M  V30 20 C 0.352492 2.884121 0.000000 0
M  V30 21 C 0.098438 2.102224 0.000000 0
M  V30 22 N 1.410715 3.836950 0.000000 0 CHG=1
M  V30 23 O 2.214886 4.007882 0.000000 0
M  V30 24 O 0.860599 4.447916 0.000000 0 CHG=-1
M  V30 25 S 0.394501 0.709361 0.000000 0
M  V30 26 O -0.387397 0.963414 0.000000 0
M  V30 27 O 1.176399 0.455306 0.000000 0
M  V30 28 S 0.939607 -2.311944 0.000000 0
M  V30 29 C 1.350675 -3.023935 0.000000 0
M  V30 30 C 0.939607 -3.735925 0.000000 0
M  V30 31 C 1.350675 -4.447915 0.000000 0
M  V30 32 C 2.172810 -4.447916 0.000000 0
M  V30 33 C 2.583878 -3.735926 0.000000 0
M  V30 34 C 2.172811 -3.023935 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 25 26
M  V30 2 2 25 27
M  V30 3 2 22 23
M  V30 4 1 22 24
M  V30 5 2 20 21
M  V30 6 1 19 20
M  V30 7 1 19 22
M  V30 8 2 18 19
M  V30 9 1 17 18
M  V30 10 2 16 17
M  V30 11 1 16 21
M  V30 12 1 16 25
M  V30 13 1 12 25
M  V30 14 2 33 34
M  V30 15 1 32 33
M  V30 16 2 31 32
M  V30 17 1 30 31
M  V30 18 2 29 30
M  V30 19 1 29 34
M  V30 20 1 28 29
M  V30 21 1 8 28
M  V30 22 2 1 2
M  V30 23 1 2 3
M  V30 24 2 3 4
M  V30 25 1 4 5
M  V30 26 2 5 6
M  V30 27 1 6 1
M  V30 28 1 4 7
M  V30 29 2 7 8
M  V30 30 1 8 9
M  V30 31 1 9 5
M  V30 32 1 9 10
M  V30 33 1 10 11
M  V30 34 1 11 12
M  V30 35 1 12 13
M  V30 36 1 13 14
M  V30 37 1 14 9
M  V30 38 2 14 15
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(12 16 17 18 19 20 21 22 23 24 25 26 27) XBONDS=(1 13) -
M  V30 LABEL=Ns CSTATE=(4 13 -0.254939 -0.784622 0)
M  V30 2 SUP 2 ATOMS=(7 28 29 30 31 32 33 34) XBONDS=(1 21) LABEL=SPh -
M  V30 CSTATE=(4 21 -0.824999 0.000000 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M985-s003

>  <DOI>
10.3390/M985

$$$$

File : molbank-2018-M985-s002.mol

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   -0.0603   -3.5489    9.5998 C      0
   -0.1664   -4.0716   10.3618 H      0
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    1.6069   -0.9685    2.8713 C      0
   -0.8054   -3.7925    8.4929 C      0
   -1.4269   -4.4844    8.4923 H      0
    1.3935   -1.2856    1.8539 H      0
    1.8371   -1.7095    3.5442 H      0
  1  3  1
  1  4  1
  1  6  1
  1 27  1
  2 15  1
  2 26  1
  5 19  1
  5 26  1
  6 12  1
  6 20  1
  7  8  1
  8  9  1
  8 34  1
 10 11  1
 10 16  1
 10 23  1
 10 26  1
 11 20  1
 11 51  1
 12 13  1
 12 14  1
 12 16  1
 15 37  1
 15 49  1
 16 17  1
 16 18  1
 19 23  1
 19 30  1
 20 21  1
 20 22  1
 23 35  1
 24 25  1
 24 28  1
 24 34  1
 27 28  1
 27 32  1
 28 29  1
 30 31  1
 30 41  1
 32 33  1
 32 39  1
 34 39  1
 35 36  1
 35 43  1
 37 38  1
 37 47  1
 39 40  1
 41 42  1
 41 43  1
 43 44  1
 45 46  1
 45 47  1
 45 52  1
 47 48  1
 49 50  1
 49 52  1
 51 54  1
 51 55  1
 52 53  1
M  END
>  <MOL_ID>
molbank-2018-M985-s002

>  <DOI>
10.3390/M985

$$$$

File : molbank-2018-M984-s001.mol

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   16.3285  -17.5945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4802  -18.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  2   7   1   8  -1
M  END
>  <MOL_ID>
molbank-2018-M984-s001

>  <DOI>
10.3390/M984

$$$$

File : molbank-2018-M983-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 30 31 2 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.143413 0.357576 0.000000 0
M  V30 2 C -1.428942 0.770076 0.000000 0
M  V30 3 N -0.714471 0.357576 0.000000 0
M  V30 4 C 0.000000 0.770076 0.000000 0
M  V30 5 O 0.000000 1.595076 0.000000 0
M  V30 6 N 0.714472 0.357576 0.000000 0
M  V30 7 C 1.428942 0.770076 0.000000 0
M  V30 8 C 2.143413 0.357576 0.000000 0
M  V30 9 C 2.143413 -0.467424 0.000000 0
M  V30 10 C 1.428942 -0.879924 0.000000 0
M  V30 11 C 1.428942 -1.704924 0.000000 0
M  V30 12 C 2.143413 -2.117424 0.000000 0
M  V30 13 C 2.857884 -1.704924 0.000000 0
M  V30 14 C 2.857884 -0.879924 0.000000 0
M  V30 15 O 2.143413 -2.942424 0.000000 0
M  V30 16 C -2.143413 -0.467424 0.000000 0
M  V30 17 C -2.857884 -0.879924 0.000000 0
M  V30 18 C -2.857884 -1.704924 0.000000 0
M  V30 19 C -2.143413 -2.117424 0.000000 0
M  V30 20 C -1.428942 -1.704924 0.000000 0
M  V30 21 C -1.428942 -0.879924 0.000000 0
M  V30 22 O -2.143413 -2.942424 0.000000 0
M  V30 23 C -1.642467 1.566965 0.000000 0
M  V30 24 O -2.436590 1.779749 0.000000 0
M  V30 25 O -1.061129 2.148302 0.000000 0
M  V30 26 C -1.273914 2.942424 0.000000 0
M  V30 27 C 1.642468 1.566965 0.000000 0
M  V30 28 O 1.061130 2.148302 0.000000 0
M  V30 29 O 2.436590 1.779749 0.000000 0
M  V30 30 C 2.649375 2.573871 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 25 26
M  V30 2 2 23 24
M  V30 3 1 23 25
M  V30 4 1 2 23 CFG=1
M  V30 5 1 29 30
M  V30 6 2 27 28
M  V30 7 1 27 29
M  V30 8 1 7 27 CFG=3
M  V30 9 1 1 2
M  V30 10 1 2 3
M  V30 11 1 3 4
M  V30 12 2 4 5
M  V30 13 1 4 6
M  V30 14 1 6 7
M  V30 15 1 7 8
M  V30 16 1 8 9
M  V30 17 2 9 10
M  V30 18 1 10 11
M  V30 19 2 11 12
M  V30 20 1 12 13
M  V30 21 2 13 14
M  V30 22 1 14 9
M  V30 23 1 12 15
M  V30 24 1 1 16
M  V30 25 2 16 17
M  V30 26 1 17 18
M  V30 27 2 18 19
M  V30 28 1 19 20
M  V30 29 2 20 21
M  V30 30 1 21 16
M  V30 31 1 19 22
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(4 23 24 25 26) XBONDS=(1 4) LABEL="^CO2Me" CSTATE=(4 4 -
M  V30 0.213526 -0.796889 0)
M  V30 2 SUP 2 ATOMS=(4 27 28 29 30) XBONDS=(1 8) LABEL=CO2Me CSTATE=(4 8 -
M  V30 -0.213526 -0.796889 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M983-s002

>  <DOI>
10.3390/M983

$$$$

File : molbank-2018-M982-s002.mol

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M  CHG  2   7   1  12  -1
M  END
>  <MOL_ID>
molbank-2018-M982-s002

>  <DOI>
10.3390/M982

$$$$

File : molbank-2018-M982-s001.mol

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M  CHG  2  10   1  12  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  10  11  12
M  SBL   1  1   1
M  SMT   1 NO2
M  SBV   1   1   -0.7120    0.4111
M  END
>  <MOL_ID>
molbank-2018-M982-s001

>  <DOI>
10.3390/M982

$$$$

File : molbank-2018-M981-s001.mol

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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2018-M981-s001

>  <DOI>
10.3390/M981

$$$$

File : molbank-2018-M980-s007.mol

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M  END
>  <MOL_ID>
molbank-2018-M980-s007

>  <DOI>
10.3390/M980

$$$$

File : molbank-2018-M980-s006.mol

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>  <MOL_ID>
molbank-2018-M980-s006

>  <DOI>
10.3390/M980

$$$$

File : molbank-2018-M980-s005.mol

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>  <MOL_ID>
molbank-2018-M980-s005

>  <DOI>
10.3390/M980

$$$$

File : molbank-2018-M980-s004.mol

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>  <MOL_ID>
molbank-2018-M980-s004

>  <DOI>
10.3390/M980

$$$$

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>  <MOL_ID>
molbank-2018-M980-s003

>  <DOI>
10.3390/M980

$$$$

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>  <MOL_ID>
molbank-2018-M980-s002

>  <DOI>
10.3390/M980

$$$$

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>  <MOL_ID>
molbank-2018-M979-s002

>  <DOI>
10.3390/M979

$$$$

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>  <MOL_ID>
molbank-2018-M978-s002

>  <DOI>
10.3390/M978

$$$$

File : molbank-2018-M976-s002.mol

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>  <MOL_ID>
molbank-2018-M976-s002

>  <DOI>
10.3390/M976

$$$$

File : molbank-2018-M977-s002.mol

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>  <MOL_ID>
molbank-2018-M977-s002

>  <DOI>
10.3390/M977

$$$$

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>  <MOL_ID>
molbank-2018-M975-s002

>  <DOI>
10.3390/M975

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>  <MOL_ID>
molbank-2018-M974-s002

>  <DOI>
10.3390/M974

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>  <MOL_ID>
molbank-2018-M974-s001

>  <DOI>
10.3390/M974

$$$$

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M  END
>  <MOL_ID>
molbank-2018-M973-s002

>  <DOI>
10.3390/M973

$$$$

File : molbank-2017-M971-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 N -1.426308 -0.411739 0.000000 0
M  V30 3 C -0.000000 -0.411739 0.000000 0
M  V30 4 C 0.713154 -0.823479 0.000000 0
M  V30 5 N 1.426307 -0.411739 0.000000 0
M  V30 6 C 2.852615 -0.411739 0.000000 0
M  V30 7 C 2.852615 0.411739 0.000000 0
M  V30 8 C 3.565769 0.823479 0.000000 0
M  V30 9 C 4.278923 0.411739 0.000000 0
M  V30 10 C 4.278923 -0.411739 0.000000 0
M  V30 11 C 3.565769 -0.823479 0.000000 0
M  V30 12 C 2.139461 -0.823479 0.000000 0
M  V30 13 Br 4.992076 -0.823479 0.000000 0
M  V30 14 C -2.139462 -0.823479 0.000000 0
M  V30 15 C -2.852615 -0.411739 0.000000 0
M  V30 16 C -3.565769 -0.823479 0.000000 0
M  V30 17 C -4.278923 -0.411739 0.000000 0
M  V30 18 C -4.278923 0.411739 0.000000 0
M  V30 19 C -3.565769 0.823479 0.000000 0
M  V30 20 C -2.852615 0.411739 0.000000 0
M  V30 21 O 0.411739 0.301414 0.000000 0
M  V30 22 H -0.411740 0.301414 0.000000 0
M  V30 23 Br -4.992076 -0.823479 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 2 6 7
M  V30 6 1 7 8
M  V30 7 2 8 9
M  V30 8 1 9 10
M  V30 9 2 10 11
M  V30 10 1 11 6
M  V30 11 1 6 12
M  V30 12 1 10 13
M  V30 13 2 12 5
M  V30 14 2 2 14
M  V30 15 1 14 15
M  V30 16 2 15 16
M  V30 17 1 16 17
M  V30 18 2 17 18
M  V30 19 1 18 19
M  V30 20 2 19 20
M  V30 21 1 20 15
M  V30 22 1 3 21
M  V30 23 1 3 22
M  V30 24 1 17 23
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M971-s001

>  <DOI>
10.3390/M971

$$$$

File : molbank-2017-M970-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 28 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C -1.096140 -1.031251 0.000000 0
M  V30 3 N -0.381669 -1.443751 0.000000 0
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M  V30 5 N 0.332801 -0.206251 0.000000 0
M  V30 6 C -0.381669 0.206249 0.000000 0
M  V30 7 N -1.880762 0.048688 0.000000 0
M  V30 8 C -2.365685 -0.618751 0.000000 0
M  V30 9 C -1.880762 -1.286189 0.000000 0
M  V30 10 O -3.190685 -0.618751 0.000000 0
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M  V30 13 C 0.332801 1.443749 0.000000 0
M  V30 14 C 1.047272 1.031249 0.000000 0
M  V30 15 C 1.761744 1.443749 0.000000 0
M  V30 16 C 1.047272 -2.268750 0.000000 0
M  V30 17 C 1.761744 -2.681250 0.000000 0
M  V30 18 C 2.476214 -2.268750 0.000000 0
M  V30 19 C 2.476214 -1.443751 0.000000 0
M  V30 20 C 1.761744 -1.031251 0.000000 0
M  V30 21 C 2.476214 1.031249 0.000000 0
M  V30 22 C 3.190685 1.443749 0.000000 0
M  V30 23 C 3.190685 2.268749 0.000000 0
M  V30 24 C 2.476214 2.681250 0.000000 0
M  V30 25 C 1.761744 2.268749 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 1 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 2 9 2
M  V30 11 2 8 10
M  V30 12 1 4 11
M  V30 13 1 6 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 14 15
M  V30 17 2 11 16
M  V30 18 1 16 17
M  V30 19 2 17 18
M  V30 20 1 18 19
M  V30 21 2 19 20
M  V30 22 1 20 11
M  V30 23 2 15 21
M  V30 24 1 21 22
M  V30 25 2 22 23
M  V30 26 1 23 24
M  V30 27 2 24 25
M  V30 28 1 25 15
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M970-s002

>  <DOI>
10.3390/M970

$$$$

File : molbank-2017-M970-s001.mol

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    2.4762    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7617    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <MOL_ID>
molbank-2017-M970-s001

>  <DOI>
10.3390/M970

$$$$

File : molbank-2017-M969-s002.mol

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    2.7562    0.2038    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0294   -0.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584    0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7048   -0.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  0
 11 16  1  1
 13 17  1  1
 10 18  1  1
 14 19  1  6
 19 20  1  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  9  21  22  23  24  25  26  27  28  29
M  SBL   1  1   1
M  SMT   1 OBz
M  SBV   1   1   -0.4125   -0.7145
M  END
>  <MOL_ID>
molbank-2017-M969-s002

>  <DOI>
10.3390/M969

$$$$

File : molbank-2017-M968-s002.mol

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M  END
>  <MOL_ID>
molbank-2017-M968-s002

>  <DOI>
10.3390/M968

$$$$

File : molbank-2017-M967-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 33 0 0 0
M  V30 BEGIN ATOM
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M  V30 2 C -0.714471 -0.412500 0.000000 0
M  V30 3 C -0.714471 -1.237500 0.000000 0
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M  V30 6 C 0.714471 -0.412500 0.000000 0
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M  V30 9 C 0.000000 -2.475000 0.000000 0
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M  V30 12 F -0.714471 -2.887500 0.000000 0
M  V30 13 C -2.143413 -0.412500 0.000000 0
M  V30 14 C -2.143413 -1.237500 0.000000 0
M  V30 15 C -2.857884 -1.650000 0.000000 0
M  V30 16 C -3.572355 -1.237500 0.000000 0
M  V30 17 C -3.572355 -0.412500 0.000000 0
M  V30 18 C -2.857884 0.000000 0.000000 0
M  V30 19 C 0.714471 1.237500 0.000000 0
M  V30 20 C 0.714471 2.062500 0.000000 0
M  V30 21 C 1.428941 2.475000 0.000000 0
M  V30 22 C 2.143413 2.062500 0.000000 0
M  V30 23 C 2.143413 1.237500 0.000000 0
M  V30 24 C 1.428941 0.825000 0.000000 0
M  V30 25 N 2.857884 2.475000 0.000000 0 CHG=1
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M  V30 27 O 3.572355 2.062500 0.000000 0 CHG=-1
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M  V30 30 O -0.714471 2.062500 0.000000 0 CHG=-1
M  V30 31 F 2.857884 0.825000 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 2 4 5
M  V30 5 1 5 6
M  V30 6 2 1 6
M  V30 7 1 1 7
M  V30 8 1 2 8
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 9 12
M  V30 12 1 4 9
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 18
M  V30 18 2 13 18
M  V30 19 1 8 13
M  V30 20 1 19 20
M  V30 21 2 20 21
M  V30 22 1 21 22
M  V30 23 2 22 23
M  V30 24 1 23 24
M  V30 25 2 19 24
M  V30 26 2 25 26
M  V30 27 1 25 27
M  V30 28 1 22 25
M  V30 29 2 28 29
M  V30 30 1 28 30
M  V30 31 1 20 28
M  V30 32 1 23 31
M  V30 33 1 7 19
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M967-s001

>  <DOI>
10.3390/M967

$$$$

File : molbank-2017-M965-s001.mol

571525  0  0  0  0  0  0  0  0999 V2000
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>  <MOL_ID>
molbank-2017-M965-s001

>  <DOI>
10.3390/M965

$$$$

File : molbank-2017-M966-s001.mol

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M  END
>  <MOL_ID>
molbank-2017-M966-s001

>  <DOI>
10.3390/M966

$$$$

File : molbank-2017-M964-s001.mol

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>  <MOL_ID>
molbank-2017-M964-s001

>  <DOI>
10.3390/M964

$$$$

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>  <MOL_ID>
molbank-2017-M964-s001-mod

>  <DOI>
10.3390/M964

$$$$

File : molbank-2017-M960-s002.mol

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>  <MOL_ID>
molbank-2017-M960-s002

>  <DOI>
10.3390/M960

$$$$

File : molbank-2017-M960-s002-mod.mol

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>  <MOL_ID>
molbank-2017-M960-s002-mod

>  <DOI>
10.3390/M960

$$$$

File : molbank-2017-M963-s002.mol

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M  END
>  <MOL_ID>
molbank-2017-M963-s002

>  <DOI>
10.3390/M963

$$$$

File : molbank-2017-M963-s002-mod.mol

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>  <MOL_ID>
molbank-2017-M963-s002-mod

>  <DOI>
10.3390/M963

$$$$

File : molbank-2017-M961-s001.mol

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>  <MOL_ID>
molbank-2017-M961-s001

>  <DOI>
10.3390/M961

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molbank-2017-M961-s001-mod

>  <DOI>
10.3390/M961

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>  <DOI>
10.3390/M959

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molbank-2017-M959-s001-mod

>  <DOI>
10.3390/M959

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>  <MOL_ID>
molbank-2017-M958-s002

>  <DOI>
10.3390/M958

$$$$

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>  <MOL_ID>
molbank-2017-M958-s002-mod

>  <DOI>
10.3390/M958

$$$$

File : molbank-2017-M957-s001.mol

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>  <MOL_ID>
molbank-2017-M957-s001

>  <DOI>
10.3390/M957

$$$$

File : molbank-2017-M957-s001-mod.mol

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>  <MOL_ID>
molbank-2017-M957-s001-mod

>  <DOI>
10.3390/M957

$$$$

File : molbank-2017-M955-s002.mol

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>  <MOL_ID>
molbank-2017-M955-s002

>  <DOI>
10.3390/M955

$$$$

File : molbank-2017-M954-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 22 0 0 0
M  V30 BEGIN ATOM
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M  V30 18 O 0.404267 0.373180 0.000000 0
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M  V30 20 O -0.578294 1.872272 0.000000 0
M  V30 21 C -0.990794 2.586743 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 1
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M  V30 18 1 17 18
M  V30 19 1 18 14
M  V30 20 1 17 19
M  V30 21 1 19 20
M  V30 22 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M954-s001

>  <DOI>
10.3390/M954

$$$$

File : molbank-2017-M954-s001-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 20 O -0.578294 1.872272 0.000000 0
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M954-s001-mod

>  <DOI>
10.3390/M954

$$$$

File : molbank-2017-M953-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
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M  V30 18 O -0.380895 0.859962 0.000000 0
M  V30 19 C 0.439809 2.286424 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 4 1 4 1
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M  V30 6 2 4 6
M  V30 7 2 3 7
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M953-s001

>  <DOI>
10.3390/M953

$$$$

File : molbank-2017-M953-s001-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 19 20 0 0 0
M  V30 BEGIN ATOM
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M  V30 18 O -0.380895 0.859962 0.000000 0
M  V30 19 C 0.439809 2.286424 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 1
M  V30 5 1 1 5
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M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M953-s001-mod

>  <DOI>
10.3390/M953

$$$$

File : molbank-2017-M950-s002.mol

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>  <MOL_ID>
molbank-2017-M950-s002

>  <DOI>
10.3390/M950

$$$$

File : molbank-2017-M950-s002-mod.mol

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>  <MOL_ID>
molbank-2017-M950-s002-mod

>  <DOI>
10.3390/M950

$$$$

File : molbank-2017-M950-s001.mol

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>  <MOL_ID>
molbank-2017-M950-s001

>  <DOI>
10.3390/M950

$$$$

File : molbank-2017-M950-s001-mod.mol

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>  <MOL_ID>
molbank-2017-M950-s001-mod

>  <DOI>
10.3390/M950

$$$$

File : molbank-2017-M949-s002.mol

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>  <MOL_ID>
molbank-2017-M949-s002

>  <DOI>
10.3390/M949

$$$$

File : molbank-2017-M949-s002-mod.mol

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molbank-2017-M949-s002-mod

>  <DOI>
10.3390/M949

$$$$

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>  <MOL_ID>
molbank-2017-M948-s002

>  <DOI>
10.3390/M948

$$$$

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>  <MOL_ID>
molbank-2017-M948-s002-mod

>  <DOI>
10.3390/M948

$$$$

File : molbank-2017-M947-s001.mol

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>  <MOL_ID>
molbank-2017-M947-s001

>  <DOI>
10.3390/M947

$$$$

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>  <MOL_ID>
molbank-2017-M947-s001-mod

>  <DOI>
10.3390/M947

$$$$

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M  V30 33 1 30 31
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M946-s001

>  <DOI>
10.3390/M946

$$$$

File : molbank-2017-M946-s001-mod.mol

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M  V30 32 1 29 30
M  V30 33 1 30 31
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M946-s001-mod

>  <DOI>
10.3390/M946

$$$$

File : molbank-2017-M945-s001.mol

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M  END
>  <MOL_ID>
molbank-2017-M945-s001

>  <DOI>
10.3390/M945

$$$$

File : molbank-2017-M945-s001-mod.mol

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>  <MOL_ID>
molbank-2017-M945-s001-mod

>  <DOI>
10.3390/M945

$$$$

File : molbank-2017-M944-s002.mol

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>  <MOL_ID>
molbank-2017-M944-s002

>  <DOI>
10.3390/M944

$$$$

File : molbank-2017-M944-s002-mod.mol

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>  <MOL_ID>
molbank-2017-M944-s002-mod

>  <DOI>
10.3390/M944

$$$$

File : molbank-2017-M943-s001.mol

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M  END
>  <MOL_ID>
molbank-2017-M943-s001

>  <DOI>
10.3390/M943

$$$$

File : molbank-2017-M943-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2017-M943-s001-mod

>  <DOI>
10.3390/M943

$$$$

File : molbank-2017-M942-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 35 39 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.306310 0.973880 0.000000 0
M  V30 2 C -1.306310 0.148880 0.000000 0
M  V30 3 N -0.591839 -0.263620 0.000000 0
M  V30 4 C 0.122631 0.148880 0.000000 0
M  V30 5 N 0.122631 0.973880 0.000000 0
M  V30 6 C -0.591839 1.386380 0.000000 0
M  V30 7 N 0.907253 -0.106059 0.000000 0
M  V30 8 N 1.392175 0.561380 0.000000 0
M  V30 9 C 0.907253 1.228819 0.000000 0
M  V30 10 C 1.161306 2.010717 0.000000 0
M  V30 11 C 1.161306 -0.887957 0.000000 0
M  V30 12 S 1.945927 2.265657 0.000000 0
M  V30 13 C 1.945927 3.090657 0.000000 0
M  V30 14 C 1.161306 3.345595 0.000000 0
M  V30 15 C 0.676384 2.678155 0.000000 0
M  V30 16 C 0.609272 -1.501051 0.000000 0
M  V30 17 C 0.864211 -2.285673 0.000000 0
M  V30 18 C 1.671183 -2.457201 0.000000 0
M  V30 19 C 2.223216 -1.844106 0.000000 0
M  V30 20 C 1.968278 -1.059485 0.000000 0
M  V30 21 C -2.018301 1.384948 0.000000 0
M  V30 22 O -2.730291 0.973881 0.000000 0
M  V30 23 O -2.018301 2.207084 0.000000 0
M  V30 24 C -2.730291 3.440287 0.000000 0
M  V30 25 C -2.730291 2.618152 0.000000 0
M  V30 26 C -0.591839 2.208516 0.000000 0
M  V30 27 C 0.120152 2.619584 0.000000 0
M  V30 28 C 0.120152 3.441720 0.000000 0
M  V30 29 C -0.591839 3.852788 0.000000 0
M  V30 30 C -1.303829 3.441720 0.000000 0
M  V30 31 C -1.303829 2.619584 0.000000 0
M  V30 32 C -2.018301 -0.262188 0.000000 0
M  V30 33 N 1.926121 -3.241822 0.000000 0 CHG=1
M  V30 34 O 1.376004 -3.852788 0.000000 0
M  V30 35 O 2.730291 -3.412755 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 21
M  V30 2 2 21 22
M  V30 3 1 21 23
M  V30 4 1 23 25
M  V30 5 1 24 25
M  V30 6 2 30 31
M  V30 7 1 29 30
M  V30 8 2 28 29
M  V30 9 1 27 28
M  V30 10 2 26 27
M  V30 11 1 26 31
M  V30 12 1 6 26
M  V30 13 1 2 32
M  V30 14 2 33 34
M  V30 15 1 33 35
M  V30 16 1 18 33
M  V30 17 2 1 2
M  V30 18 1 2 3
M  V30 19 2 3 4
M  V30 20 1 4 5
M  V30 21 1 5 6
M  V30 22 1 6 1
M  V30 23 1 4 7
M  V30 24 1 7 8
M  V30 25 2 8 9
M  V30 26 1 9 5
M  V30 27 1 9 10
M  V30 28 1 7 11
M  V30 29 1 10 12
M  V30 30 1 12 13
M  V30 31 2 13 14
M  V30 32 1 14 15
M  V30 33 2 15 10
M  V30 34 2 11 16
M  V30 35 1 16 17
M  V30 36 2 17 18
M  V30 37 1 18 19
M  V30 38 2 19 20
M  V30 39 1 20 11
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 21 22 23 24 25) XBONDS=(1 1) LABEL="^COOEt" CSTATE=(4 -
M  V30 1 0.711991 -0.411068 0)
M  V30 2 SUP 2 ATOMS=(6 26 27 28 29 30 31) XBONDS=(1 12) LABEL=Ph CSTATE=(4 -
M  V30 12 0.000000 -0.822136 0)
M  V30 3 SUP 3 ATOMS=(1 32) XBONDS=(1 13) LABEL="^Me" CSTATE=(4 13 0.711991 -
M  V30 0.411067 0)
M  V30 4 SUP 4 ATOMS=(3 33 34 35) XBONDS=(1 16) LABEL=NO2 CSTATE=(4 16 -
M  V30 -0.254938 0.784621 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M942-s001

>  <DOI>
10.3390/M942

$$$$

File : molbank-2017-M942-s001-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 35 39 4 0 0
M  V30 BEGIN ATOM
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M  V30 6 C -0.591839 1.386380 0.000000 0
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M  V30 8 N 1.392175 0.561380 0.000000 0
M  V30 9 C 0.907253 1.228819 0.000000 0
M  V30 10 C 1.161306 2.010717 0.000000 0
M  V30 11 C 1.161306 -0.887957 0.000000 0
M  V30 12 S 1.945927 2.265657 0.000000 0
M  V30 13 C 1.945927 3.090657 0.000000 0
M  V30 14 C 1.161306 3.345595 0.000000 0
M  V30 15 C 0.676384 2.678155 0.000000 0
M  V30 16 C 0.609272 -1.501051 0.000000 0
M  V30 17 C 0.864211 -2.285673 0.000000 0
M  V30 18 C 1.671183 -2.457201 0.000000 0
M  V30 19 C 2.223216 -1.844106 0.000000 0
M  V30 20 C 1.968278 -1.059485 0.000000 0
M  V30 21 C -2.018301 1.384948 0.000000 0
M  V30 22 O -2.730291 0.973881 0.000000 0
M  V30 23 O -2.018301 2.207084 0.000000 0
M  V30 24 C -2.730291 3.440287 0.000000 0
M  V30 25 C -2.730291 2.618152 0.000000 0
M  V30 26 C -0.591839 2.208516 0.000000 0
M  V30 27 C 0.120152 2.619584 0.000000 0
M  V30 28 C 0.120152 3.441720 0.000000 0
M  V30 29 C -0.591839 3.852788 0.000000 0
M  V30 30 C -1.303829 3.441720 0.000000 0
M  V30 31 C -1.303829 2.619584 0.000000 0
M  V30 32 C -2.018301 -0.262188 0.000000 0
M  V30 33 N 1.926121 -3.241822 0.000000 0 CHG=1
M  V30 34 O 1.376004 -3.852788 0.000000 0
M  V30 35 O 2.730291 -3.412755 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 21
M  V30 2 2 21 22
M  V30 3 1 21 23
M  V30 4 1 23 25
M  V30 5 1 24 25
M  V30 6 2 30 31
M  V30 7 1 29 30
M  V30 8 2 28 29
M  V30 9 1 27 28
M  V30 10 2 26 27
M  V30 11 1 26 31
M  V30 12 1 6 26
M  V30 13 1 2 32
M  V30 14 2 33 34
M  V30 15 1 33 35
M  V30 16 1 18 33
M  V30 17 2 1 2
M  V30 18 1 2 3
M  V30 19 2 3 4
M  V30 20 1 4 5
M  V30 21 1 5 6
M  V30 22 1 6 1
M  V30 23 1 4 7
M  V30 24 1 7 8
M  V30 25 2 8 9
M  V30 26 1 9 5
M  V30 27 1 9 10
M  V30 28 1 7 11
M  V30 29 1 10 12
M  V30 30 1 12 13
M  V30 31 2 13 14
M  V30 32 1 14 15
M  V30 33 2 15 10
M  V30 34 2 11 16
M  V30 35 1 16 17
M  V30 36 2 17 18
M  V30 37 1 18 19
M  V30 38 2 19 20
M  V30 39 1 20 11
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 21 22 23 24 25) XBONDS=(1 1) LABEL="^COOEt" CSTATE=(4 -
M  V30 1 0.711991 -0.411068 0)
M  V30 2 SUP 2 ATOMS=(6 26 27 28 29 30 31) XBONDS=(1 12) LABEL=Ph CSTATE=(4 -
M  V30 12 0.000000 -0.822136 0)
M  V30 3 SUP 3 ATOMS=(1 32) XBONDS=(1 13) LABEL="^Me" CSTATE=(4 13 0.711991 -
M  V30 0.411067 0)
M  V30 4 SUP 4 ATOMS=(3 33 34 35) XBONDS=(1 16) LABEL=NO2 CSTATE=(4 16 -
M  V30 -0.254938 0.784621 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M942-s001-mod

>  <DOI>
10.3390/M942

$$$$

File : molbank-2017-M940-s001.mol

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>  <MOL_ID>
molbank-2017-M940-s001

>  <DOI>
10.3390/M940

$$$$

File : molbank-2017-M940-s001-mod.mol

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>  <MOL_ID>
molbank-2017-M940-s001-mod

>  <DOI>
10.3390/M940

$$$$

File : molbank-2017-M939-s001.mol

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M  V30 BEGIN ATOM
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M  V30 END ATOM
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M  V30 END BOND
M  V30 BEGIN SGROUP
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M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M939-s001

>  <DOI>
10.3390/M939

$$$$

File : molbank-2017-M939-s001-mod.mol

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M  V30 END BOND
M  V30 BEGIN SGROUP
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M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M939-s001-mod

>  <DOI>
10.3390/M939

$$$$

File : molbank-2017-M941-s001.mol

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>  <MOL_ID>
molbank-2017-M941-s001

>  <DOI>
10.3390/M941

$$$$

File : molbank-2017-M941-s001-mod.mol

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>  <MOL_ID>
molbank-2017-M941-s001-mod

>  <DOI>
10.3390/M941

$$$$

File : molbank-2017-M938-s001.mol

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>  <MOL_ID>
molbank-2017-M938-s001

>  <DOI>
10.3390/M938

$$$$

File : molbank-2017-M938-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2017-M938-s001-mod

>  <DOI>
10.3390/M938

$$$$

File : molbank-2017-M937-s001.mol

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M  END
>  <MOL_ID>
molbank-2017-M937-s001

>  <DOI>
10.3390/M937

$$$$

File : molbank-2017-M937-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2017-M937-s001-mod

>  <DOI>
10.3390/M937

$$$$

File : molbank-2017-M936-s001.mol

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>  <MOL_ID>
molbank-2017-M936-s001

>  <DOI>
10.3390/M936

$$$$

File : molbank-2017-M936-s001-mod.mol

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>  <MOL_ID>
molbank-2017-M936-s001-mod

>  <DOI>
10.3390/M936

$$$$

File : molbank-2017-M935-s002.mol

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>  <MOL_ID>
molbank-2017-M935-s002

>  <DOI>
10.3390/M935

$$$$

File : molbank-2017-M935-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2017-M935-s002-mod

>  <DOI>
10.3390/M935

$$$$

File : molbank-2017-M934-s001.mol

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>  <MOL_ID>
molbank-2017-M934-s001

>  <DOI>
10.3390/M934

$$$$

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>  <MOL_ID>
molbank-2017-M934-s001-mod

>  <DOI>
10.3390/M934

$$$$

File : molbank-2017-M933-s001.mol

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>  <MOL_ID>
molbank-2017-M933-s001

>  <DOI>
10.3390/M933

$$$$

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>  <MOL_ID>
molbank-2017-M933-s001-mod

>  <DOI>
10.3390/M933

$$$$

File : molbank-2017-M932-s001.mol

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>  <MOL_ID>
molbank-2017-M932-s001

>  <DOI>
10.3390/M932

$$$$

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>  <MOL_ID>
molbank-2017-M932-s001-mod

>  <DOI>
10.3390/M932

$$$$

File : molbank-2017-M931-s001.mol

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>  <MOL_ID>
molbank-2017-M931-s001

>  <DOI>
10.3390/M931

$$$$

File : molbank-2017-M931-s001-mod.mol

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>  <MOL_ID>
molbank-2017-M931-s001-mod

>  <DOI>
10.3390/M931

$$$$

File : molbank-2017-M929-s002.mol

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>  <MOL_ID>
molbank-2017-M929-s002

>  <DOI>
10.3390/M929

$$$$

File : molbank-2017-M929-s002-mod.mol

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>  <MOL_ID>
molbank-2017-M929-s002-mod

>  <DOI>
10.3390/M929

$$$$

File : molbank-2017-M928-s002.mol

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M  V30 27 O 2.144653 -0.423387 0.000000 0
M  V30 28 C 3.568633 -0.423388 0.000000 0
M  V30 29 C 2.856643 -0.012320 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 28 29
M  V30 2 1 27 29
M  V30 3 2 25 26
M  V30 4 1 25 27
M  V30 5 1 15 25
M  V30 6 2 1 2
M  V30 7 1 2 3
M  V30 8 2 3 4
M  V30 9 1 4 5
M  V30 10 2 5 6
M  V30 11 1 6 1
M  V30 12 1 4 7
M  V30 13 1 7 8
M  V30 14 1 8 9
M  V30 15 1 9 10
M  V30 16 1 10 5
M  V30 17 1 6 11
M  V30 18 2 10 12
M  V30 19 1 8 13
M  V30 20 1 13 14
M  V30 21 1 14 15 CFG=3
M  V30 22 2 15 16
M  V30 23 1 9 16 CFG=3
M  V30 24 1 9 17
M  V30 25 1 17 18
M  V30 26 1 18 14
M  V30 27 1 17 19 CFG=3
M  V30 28 1 19 20
M  V30 29 1 20 21
M  V30 30 1 21 22
M  V30 31 1 22 23
M  V30 32 1 23 19
M  V30 33 2 23 24
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 25 26 27 28 29) XBONDS=(1 5) LABEL=CO2Et CSTATE=(4 5 -
M  V30 -0.714471 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M928-s002

>  <DOI>
10.3390/M928

$$$$

File : molbank-2017-M928-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 33 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.568633 -0.424820 0.000000 0
M  V30 2 C -3.568633 -1.249820 0.000000 0
M  V30 3 C -2.854163 -1.662320 0.000000 0
M  V30 4 C -2.139692 -1.249820 0.000000 0
M  V30 5 C -2.139692 -0.424820 0.000000 0
M  V30 6 C -2.854163 -0.012320 0.000000 0
M  V30 7 O -1.425221 -1.662320 0.000000 0
M  V30 8 C -0.710751 -1.249820 0.000000 0
M  V30 9 C -0.710751 -0.424820 0.000000 0
M  V30 10 C -1.425221 -0.012320 0.000000 0
M  V30 11 O -2.854163 0.812680 0.000000 0
M  V30 12 O -1.425221 0.812680 0.000000 0
M  V30 13 C 0.003721 -1.662320 0.000000 0
M  V30 14 C 0.718192 -1.249820 0.000000 0
M  V30 15 C 0.718192 -0.424820 0.000000 0
M  V30 16 C 0.050837 -0.031956 0.000000 0
M  V30 17 C -0.421820 -0.977268 0.000000 0
M  V30 18 C 0.050837 -1.235081 0.000000 0
M  V30 19 N -0.441038 0.392775 0.000000 0
M  V30 20 C 0.383962 0.392775 0.000000 0
M  V30 21 C 0.638900 1.177398 0.000000 0
M  V30 22 C -0.028538 1.662320 0.000000 0
M  V30 23 C -0.695977 1.177398 0.000000 0
M  V30 24 O -1.410449 1.589898 0.000000 0
M  V30 25 C 1.432663 -0.012320 0.000000 0
M  V30 26 O 1.432663 0.809816 0.000000 0
M  V30 27 O 2.144653 -0.423387 0.000000 0
M  V30 28 C 3.568633 -0.423388 0.000000 0
M  V30 29 C 2.856643 -0.012320 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 28 29
M  V30 2 1 27 29
M  V30 3 2 25 26
M  V30 4 1 25 27
M  V30 5 1 15 25
M  V30 6 2 1 2
M  V30 7 1 2 3
M  V30 8 2 3 4
M  V30 9 1 4 5
M  V30 10 2 5 6
M  V30 11 1 6 1
M  V30 12 1 4 7
M  V30 13 1 7 8
M  V30 14 1 8 9
M  V30 15 1 9 10
M  V30 16 1 10 5
M  V30 17 1 6 11
M  V30 18 2 10 12
M  V30 19 1 8 13
M  V30 20 1 13 14
M  V30 21 1 14 15 CFG=3
M  V30 22 2 15 16
M  V30 23 1 9 16 CFG=3
M  V30 24 1 9 17
M  V30 25 1 17 18
M  V30 26 1 18 14
M  V30 27 1 17 19 CFG=3
M  V30 28 1 19 20
M  V30 29 1 20 21
M  V30 30 1 21 22
M  V30 31 1 22 23
M  V30 32 1 23 19
M  V30 33 2 23 24
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(5 25 26 27 28 29) XBONDS=(1 5) LABEL=CO2Et CSTATE=(4 5 -
M  V30 -0.714471 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M928-s002-mod

>  <DOI>
10.3390/M928

$$$$

File : molbank-2017-M927-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.857884 0.001432 0.000000 0
M  V30 2 C -2.857884 -0.823568 0.000000 0
M  V30 3 C -2.143413 -1.236068 0.000000 0
M  V30 4 C -1.428942 -0.823568 0.000000 0
M  V30 5 C -1.428942 0.001432 0.000000 0
M  V30 6 C -2.143413 0.413932 0.000000 0
M  V30 7 N -0.714471 -1.236068 0.000000 0
M  V30 8 C -0.000000 -0.823568 0.000000 0
M  V30 9 O -0.000000 0.001432 0.000000 0
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M  V30 11 C -0.714471 1.238932 0.000000 0
M  V30 12 H -1.428942 1.651432 0.000000 0
M  V30 13 C 0.714471 -1.236068 0.000000 0
M  V30 14 C 0.714471 -2.061068 0.000000 0
M  V30 15 C 1.428942 -2.473568 0.000000 0
M  V30 16 C 2.143413 -2.061068 0.000000 0
M  V30 17 C 2.143413 -1.236068 0.000000 0
M  V30 18 C 1.428942 -0.823568 0.000000 0
M  V30 19 F 2.857884 -2.473568 0.000000 0
M  V30 20 C -0.000000 1.651432 0.000000 0
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M  V30 22 O 0.711991 1.240365 0.000000 0
M  V30 23 C 1.423981 1.651432 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 22 23
M  V30 2 2 20 21
M  V30 3 1 20 22
M  V30 4 1 11 20
M  V30 5 2 1 2
M  V30 6 1 2 3
M  V30 7 2 3 4
M  V30 8 1 4 5
M  V30 9 2 5 6
M  V30 10 1 6 1
M  V30 11 1 4 7
M  V30 12 2 7 8
M  V30 13 1 8 9
M  V30 14 1 9 10
M  V30 15 1 10 5
M  V30 16 2 10 11
M  V30 17 1 11 12
M  V30 18 1 8 13
M  V30 19 2 13 14
M  V30 20 1 14 15
M  V30 21 2 15 16
M  V30 22 1 16 17
M  V30 23 2 17 18
M  V30 24 1 18 13
M  V30 25 1 16 19
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(4 20 21 22 23) XBONDS=(1 4) LABEL=CO2Me CSTATE=(4 4 -
M  V30 -0.714470 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M927-s002

>  <DOI>
10.3390/M927

$$$$

File : molbank-2017-M927-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 1 0 0
M  V30 BEGIN ATOM
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M  V30 2 C -2.857884 -0.823568 0.000000 0
M  V30 3 C -2.143413 -1.236068 0.000000 0
M  V30 4 C -1.428942 -0.823568 0.000000 0
M  V30 5 C -1.428942 0.001432 0.000000 0
M  V30 6 C -2.143413 0.413932 0.000000 0
M  V30 7 N -0.714471 -1.236068 0.000000 0
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M  V30 9 O -0.000000 0.001432 0.000000 0
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M  V30 11 C -0.714471 1.238932 0.000000 0
M  V30 12 H -1.428942 1.651432 0.000000 0
M  V30 13 C 0.714471 -1.236068 0.000000 0
M  V30 14 C 0.714471 -2.061068 0.000000 0
M  V30 15 C 1.428942 -2.473568 0.000000 0
M  V30 16 C 2.143413 -2.061068 0.000000 0
M  V30 17 C 2.143413 -1.236068 0.000000 0
M  V30 18 C 1.428942 -0.823568 0.000000 0
M  V30 19 F 2.857884 -2.473568 0.000000 0
M  V30 20 C -0.000000 1.651432 0.000000 0
M  V30 21 O -0.000000 2.473568 0.000000 0
M  V30 22 O 0.711991 1.240365 0.000000 0
M  V30 23 C 1.423981 1.651432 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 22 23
M  V30 2 2 20 21
M  V30 3 1 20 22
M  V30 4 1 11 20
M  V30 5 2 1 2
M  V30 6 1 2 3
M  V30 7 2 3 4
M  V30 8 1 4 5
M  V30 9 2 5 6
M  V30 10 1 6 1
M  V30 11 1 4 7
M  V30 12 2 7 8
M  V30 13 1 8 9
M  V30 14 1 9 10
M  V30 15 1 10 5
M  V30 16 2 10 11
M  V30 17 1 11 12
M  V30 18 1 8 13
M  V30 19 2 13 14
M  V30 20 1 14 15
M  V30 21 2 15 16
M  V30 22 1 16 17
M  V30 23 2 17 18
M  V30 24 1 18 13
M  V30 25 1 16 19
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(4 20 21 22 23) XBONDS=(1 4) LABEL=CO2Me CSTATE=(4 4 -
M  V30 -0.714470 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2017-M927-s002-mod

>  <DOI>
10.3390/M927

$$$$

File : molbank-2017-M925-s002.mol

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M  END
>  <MOL_ID>
molbank-2017-M925-s002

>  <DOI>
10.3390/M925

$$$$

File : molbank-2017-M925-s002-mod.mol

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>  <MOL_ID>
molbank-2017-M925-s002-mod

>  <DOI>
10.3390/M925

$$$$

File : molbank-2017-M924-s002.mol

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>  <MOL_ID>
molbank-2017-M924-s002

>  <DOI>
10.3390/M924

$$$$

File : molbank-2017-M924-s002-mod.mol

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molbank-2017-M924-s002-mod

>  <DOI>
10.3390/M924

$$$$

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>  <MOL_ID>
molbank-2017-M923-s002

>  <DOI>
10.3390/M923

$$$$

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>  <MOL_ID>
molbank-2017-M923-s002-mod

>  <DOI>
10.3390/M923

$$$$

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>  <MOL_ID>
molbank-2017-M922-s002

>  <DOI>
10.3390/M922

$$$$

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>  <MOL_ID>
molbank-2017-M922-s002-mod

>  <DOI>
10.3390/M922

$$$$

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>  <MOL_ID>
molbank-2016-M921-s001

>  <DOI>
10.3390/M921

$$$$

File : molbank-2016-M921-s001-mod.mol

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>  <MOL_ID>
molbank-2016-M921-s001-mod

>  <DOI>
10.3390/M921

$$$$

File : molbank-2016-M920-s002.mol

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>  <MOL_ID>
molbank-2016-M920-s002

>  <DOI>
10.3390/M920

$$$$

File : molbank-2016-M918-s002.mol

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M  END
>  <MOL_ID>
molbank-2016-M918-s002

>  <DOI>
10.3390/M918

$$$$

File : molbank-2016-M918-s002-mod.mol

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>  <MOL_ID>
molbank-2016-M918-s002-mod

>  <DOI>
10.3390/M918

$$$$

File : molbank-2016-M919-s002.mol

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molbank-2016-M919-s002

>  <DOI>
10.3390/M919

$$$$

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molbank-2016-M919-s002-mod

>  <DOI>
10.3390/M919

$$$$

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>  <MOL_ID>
molbank-2016-M917-s002

>  <DOI>
10.3390/M917

$$$$

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>  <MOL_ID>
molbank-2016-M917-s002-mod

>  <DOI>
10.3390/M917

$$$$

File : molbank-2016-M916-s002.mol

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>  <MOL_ID>
molbank-2016-M916-s002

>  <DOI>
10.3390/M916

$$$$

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>  <MOL_ID>
molbank-2016-M916-s002-mod

>  <DOI>
10.3390/M916

$$$$

File : molbank-2016-M915-s002.mol

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>  <MOL_ID>
molbank-2016-M915-s002

>  <DOI>
10.3390/M915

$$$$

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    0.3548    0.5475   -2.0605 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535    0.3240   -1.3778 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175    1.4583   -0.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3188    2.1975   -0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    3.4083   -0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6295    1.9021    0.0043 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7682    1.1054    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276    1.6970    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1517    0.9151    0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0322   -0.4786    0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7653   -1.0694    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.2813    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1319   -2.6607    0.1768 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3278   -0.8109    0.4571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0823    2.4889   -1.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1842    2.9406   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4485    2.8394   -1.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6177    2.2888   -2.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5225    1.8380   -3.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2550    1.9413   -3.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9395   -3.3891    0.0761 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2408   -4.6572   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6362   -4.7847    0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1651   -3.5469    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552   -5.7901   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6318   -3.2089    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  2  0  0  0  0
  1  8  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9  2  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 18 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <MOL_ID>
molbank-2016-M915-s002-mod

>  <DOI>
10.3390/M915

$$$$

File : molbank-2016-M913-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 12 12 3 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.441941 0.827370 0.000000 0
M  V30 2 C -0.228077 0.030793 0.000000 0
M  V30 3 C 0.595570 0.030793 0.000000 0
M  V30 4 C 0.891326 0.827370 0.000000 0
M  V30 5 O 0.250411 1.346463 0.000000 0
M  V30 6 O 1.008410 -0.683891 0.000000 0
M  V30 7 O 1.606011 1.240209 0.000000 0
M  V30 8 C -1.155948 1.240209 0.000000 0
M  V30 9 O -1.606011 -0.339407 0.000000 0
M  V30 10 C -0.811465 -0.552595 0.000000 0
M  V30 11 C -0.598955 -1.346463 0.000000 0
M  V30 12 C 1.606011 0.415208 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 8
M  V30 2 1 10 11
M  V30 3 2 9 10
M  V30 4 1 2 10
M  V30 5 1 4 12 CFG=3
M  V30 6 2 1 2
M  V30 7 1 2 3
M  V30 8 1 3 4
M  V30 9 1 4 5
M  V30 10 1 5 1
M  V30 11 2 3 6
M  V30 12 1 4 7 CFG=1
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 1) LABEL="^Me" CSTATE=(4 1 0.714007 -
M  V30 -0.412839 0)
M  V30 2 SUP 2 ATOMS=(3 9 10 11) XBONDS=(1 4) LABEL="^Ac" CSTATE=(4 4 -
M  V30 0.583388 0.583388 0)
M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 5) LABEL=Me CSTATE=(4 5 -0.714685 -
M  V30 0.412162 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M913-s001

>  <DOI>
10.3390/M913

$$$$

File : molbank-2016-M913-s001-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 12 12 3 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.441941 0.827370 0.000000 0
M  V30 2 C -0.228077 0.030793 0.000000 0
M  V30 3 C 0.595570 0.030793 0.000000 0
M  V30 4 C 0.891326 0.827370 0.000000 0
M  V30 5 O 0.250411 1.346463 0.000000 0
M  V30 6 O 1.008410 -0.683891 0.000000 0
M  V30 7 O 1.606011 1.240209 0.000000 0
M  V30 8 C -1.155948 1.240209 0.000000 0
M  V30 9 O -1.606011 -0.339407 0.000000 0
M  V30 10 C -0.811465 -0.552595 0.000000 0
M  V30 11 C -0.598955 -1.346463 0.000000 0
M  V30 12 C 1.606011 0.415208 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 8
M  V30 2 1 10 11
M  V30 3 2 9 10
M  V30 4 1 2 10
M  V30 5 1 4 12 CFG=3
M  V30 6 2 1 2
M  V30 7 1 2 3
M  V30 8 1 3 4
M  V30 9 1 4 5
M  V30 10 1 5 1
M  V30 11 2 3 6
M  V30 12 1 4 7 CFG=1
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 1) LABEL="^Me" CSTATE=(4 1 0.714007 -
M  V30 -0.412839 0)
M  V30 2 SUP 2 ATOMS=(3 9 10 11) XBONDS=(1 4) LABEL="^Ac" CSTATE=(4 4 -
M  V30 0.583388 0.583388 0)
M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 5) LABEL=Me CSTATE=(4 5 -0.714685 -
M  V30 0.412162 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M913-s001-mod

>  <DOI>
10.3390/M913

$$$$

File : molbank-2016-M912-s002.mol

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.1438    0.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1438   -0.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294   -0.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4294    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020    1.9527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -0.5214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -1.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    1.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4270    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    1.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414    2.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116   -1.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8559   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5704   -1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5704   -2.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8559   -2.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -2.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    2.3652    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1840    2.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410    2.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  4  9  1  0
  9 10  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  2  0
 10 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 14 26  1  0
  8 27  1  0
 11 27  1  0
 27 28  2  0
 27 29  2  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  1  26
M  SBL   1  1  27
M  SMT   1 Me
M  SBV   1 27  -11.1704   13.1626
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  27  28  29
M  SBL   2  2  28  29
M  SMT   2 SO2
M  SBV   2 28  -11.1704   13.9876
M  SBV   2 29  -12.5994   13.9876
M  END
>  <MOL_ID>
molbank-2016-M912-s002

>  <DOI>
10.3390/M912

$$$$

File : molbank-2016-M912-s002-mod.mol

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.0745    1.4369   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0482    0.0527   -0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1557   -0.6240   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497    0.0815   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3270    1.4842   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    2.1547   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5881    2.2450    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7213    1.6254   -0.0571 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661   -0.5998   -0.0428 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764   -1.7740    0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4546    1.3178   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9436    0.9784   -1.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9799    0.0706   -1.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5276   -0.4976   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0392   -0.1575    0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    0.7493    0.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973   -2.2778    1.1235 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8714   -2.3886    0.6921 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158   -3.6500    1.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3244   -4.1855    1.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2023   -3.8440    2.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4944   -4.3352    2.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9085   -5.1682    1.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304   -5.5104    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370   -5.0227    0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6567   -1.4880   -0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1385    2.4804   -0.0059 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1721    3.2727   -1.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2291    3.0290    1.3018 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  4  9  1  0
  9 10  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  2  0
 10 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 14 26  1  0
  8 27  1  0
 11 27  1  0
 27 28  2  0
 27 29  2  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  1  26
M  SBL   1  1  27
M  SMT   1 Me
M  SBV   1 27  -11.1704   13.1626
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  27  28  29
M  SBL   2  2  28  29
M  SMT   2 SO2
M  SBV   2 28  -11.1704   13.9876
M  SBV   2 29  -12.5994   13.9876
M  END
>  <MOL_ID>
molbank-2016-M912-s002-mod

>  <DOI>
10.3390/M912

$$$$

File : molbank-2016-M911-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.215119 0.000000 0.000000 0
M  V30 2 C -3.215119 -0.825000 0.000000 0
M  V30 3 C -2.500648 -1.237500 0.000000 0
M  V30 4 C -1.786177 -0.825000 0.000000 0
M  V30 5 C -1.786177 0.000000 0.000000 0
M  V30 6 C -2.500648 0.412500 0.000000 0
M  V30 7 C -1.071706 0.412500 0.000000 0
M  V30 8 C -0.357235 0.000000 0.000000 0
M  V30 9 N -1.071706 -1.237500 0.000000 0
M  V30 10 O -1.071706 1.237500 0.000000 0
M  V30 11 C 0.357235 0.412500 0.000000 0
M  V30 12 C 1.071706 0.000000 0.000000 0
M  V30 13 C 1.071706 -0.825000 0.000000 0
M  V30 14 C 1.786177 -1.237500 0.000000 0
M  V30 15 C 2.500648 -0.825000 0.000000 0
M  V30 16 C 2.500648 0.000000 0.000000 0
M  V30 17 C 1.786177 0.412500 0.000000 0
M  V30 18 Cl 3.215119 -1.237500 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 9 1 4 9
M  V30 10 2 7 10
M  V30 11 2 8 11
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 15 16
M  V30 17 2 16 17
M  V30 18 1 17 12
M  V30 19 1 15 18
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M911-s002

>  <DOI>
10.3390/M911

$$$$

File : molbank-2016-M911-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 19 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.215119 0.000000 0.000000 0
M  V30 2 C -3.215119 -0.825000 0.000000 0
M  V30 3 C -2.500648 -1.237500 0.000000 0
M  V30 4 C -1.786177 -0.825000 0.000000 0
M  V30 5 C -1.786177 0.000000 0.000000 0
M  V30 6 C -2.500648 0.412500 0.000000 0
M  V30 7 C -1.071706 0.412500 0.000000 0
M  V30 8 C -0.357235 0.000000 0.000000 0
M  V30 9 N -1.071706 -1.237500 0.000000 0
M  V30 10 O -1.071706 1.237500 0.000000 0
M  V30 11 C 0.357235 0.412500 0.000000 0
M  V30 12 C 1.071706 0.000000 0.000000 0
M  V30 13 C 1.071706 -0.825000 0.000000 0
M  V30 14 C 1.786177 -1.237500 0.000000 0
M  V30 15 C 2.500648 -0.825000 0.000000 0
M  V30 16 C 2.500648 0.000000 0.000000 0
M  V30 17 C 1.786177 0.412500 0.000000 0
M  V30 18 Cl 3.215119 -1.237500 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M911-s002-mod

>  <DOI>
10.3390/M911

$$$$

File : molbank-2016-M910-s002-mod.mol

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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 20 1 19 9
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M  V30 25 2 9 15
M  V30 26 2 12 24
M  V30 27 1 13 25
M  V30 28 1 11 26
M  V30 29 1 6 27
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M910-s002-mod

>  <DOI>
10.3390/M910

$$$$

File : molbank-2016-M909-s001.mol

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M  END
>  <MOL_ID>
molbank-2016-M909-s001

>  <DOI>
10.3390/M909

$$$$

File : molbank-2016-M909-s001-mod.mol

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.HCl
M  END
>  <MOL_ID>
molbank-2016-M909-s001-mod

>  <DOI>
10.3390/M909

$$$$

File : molbank-2016-M908-s001.mol

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>  <MOL_ID>
molbank-2016-M908-s001

>  <DOI>
10.3390/M908

$$$$

File : molbank-2016-M908-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2016-M908-s001-mod

>  <DOI>
10.3390/M908

$$$$

File : molbank-2016-M907-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 27 29 3 0 0
M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 2 1 18 22
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M  V30 4 1 19 24
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M  V30 6 1 20 26
M  V30 7 2 1 2
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M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 22 23) XBONDS=(1 2) LABEL=OCH3 CSTATE=(4 2 0.000000 -
M  V30 -0.825000 0)
M  V30 2 SUP 2 ATOMS=(2 24 25) XBONDS=(1 4) LABEL="^OCH3" CSTATE=(4 4 -
M  V30 0.714470 -0.412500 0)
M  V30 3 SUP 3 ATOMS=(2 26 27) XBONDS=(1 6) LABEL="^OCH3" CSTATE=(4 6 -
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M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M907-s001

>  <DOI>
10.3390/M907

$$$$

File : molbank-2016-M907-s001-mod.mol

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M  V30 25 C -4.618387 0.208399 0.000000 0
M  V30 26 O -3.906396 -1.030533 0.000000 0
M  V30 27 C -3.906396 -1.852669 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 22 23
M  V30 2 1 18 22
M  V30 3 1 24 25
M  V30 4 1 19 24
M  V30 5 1 26 27
M  V30 6 1 20 26
M  V30 7 2 1 2
M  V30 8 1 2 3
M  V30 9 2 3 4
M  V30 10 1 4 5
M  V30 11 2 5 6
M  V30 12 1 6 1
M  V30 13 1 4 7
M  V30 14 1 7 8
M  V30 15 1 8 9
M  V30 16 1 9 5
M  V30 17 2 8 10
M  V30 18 1 2 11
M  V30 19 2 11 12
M  V30 20 1 12 13
M  V30 21 2 13 14
M  V30 22 1 9 15
M  V30 23 1 13 16
M  V30 24 2 16 17
M  V30 25 1 17 18
M  V30 26 2 18 19
M  V30 27 1 19 20
M  V30 28 2 20 21
M  V30 29 1 21 16
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(2 22 23) XBONDS=(1 2) LABEL=OCH3 CSTATE=(4 2 0.000000 -
M  V30 -0.825000 0)
M  V30 2 SUP 2 ATOMS=(2 24 25) XBONDS=(1 4) LABEL="^OCH3" CSTATE=(4 4 -
M  V30 0.714470 -0.412500 0)
M  V30 3 SUP 3 ATOMS=(2 26 27) XBONDS=(1 6) LABEL="^OCH3" CSTATE=(4 6 -
M  V30 0.714470 0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M907-s001-mod

>  <DOI>
10.3390/M907

$$$$

File : molbank-2016-M905-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.357084 -1.030529 0.000000 0
M  V30 2 C -1.071502 -1.443271 0.000000 0
M  V30 3 O 0.357334 -1.443271 0.000000 0
M  V30 4 C -1.785921 -1.030529 0.000000 0
M  V30 5 C -2.500339 -1.443271 0.000000 0
M  V30 6 O -1.785921 -0.206013 0.000000 0
M  V30 7 C -2.500392 0.206487 0.000000 0
M  V30 8 C -2.500392 1.031487 0.000000 0
M  V30 9 C 1.071923 -1.030976 0.000000 0
M  V30 10 C 1.786276 -1.443680 0.000000 0
M  V30 11 O -3.214863 -0.206013 0.000000 0
M  V30 12 O 1.072159 -0.205976 0.000000 0
M  V30 13 C -1.785921 1.443987 0.000000 0
M  V30 14 C -1.785921 2.268987 0.000000 0
M  V30 15 C -2.500392 2.681487 0.000000 0
M  V30 16 C -3.214863 2.268987 0.000000 0
M  V30 17 C -3.214863 1.443987 0.000000 0
M  V30 18 C 1.785921 -2.268680 0.000000 0
M  V30 19 C 2.500215 -2.681487 0.000000 0
M  V30 20 C 3.214863 -2.268680 0.000000 0
M  V30 21 C 3.214863 -1.443680 0.000000 0
M  V30 22 C 2.500215 -1.030873 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 3 1
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 3 9
M  V30 9 1 9 10
M  V30 10 2 7 11
M  V30 11 2 9 12
M  V30 12 2 8 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 8
M  V30 18 2 10 18
M  V30 19 1 18 19
M  V30 20 2 19 20
M  V30 21 1 20 21
M  V30 22 2 21 22
M  V30 23 1 22 10
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M905-s002

>  <DOI>
10.3390/M905

$$$$

File : molbank-2016-M905-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.357084 -1.030529 0.000000 0
M  V30 2 C -1.071502 -1.443271 0.000000 0
M  V30 3 O 0.357334 -1.443271 0.000000 0
M  V30 4 C -1.785921 -1.030529 0.000000 0
M  V30 5 C -2.500339 -1.443271 0.000000 0
M  V30 6 O -1.785921 -0.206013 0.000000 0
M  V30 7 C -2.500392 0.206487 0.000000 0
M  V30 8 C -2.500392 1.031487 0.000000 0
M  V30 9 C 1.071923 -1.030976 0.000000 0
M  V30 10 C 1.786276 -1.443680 0.000000 0
M  V30 11 O -3.214863 -0.206013 0.000000 0
M  V30 12 O 1.072159 -0.205976 0.000000 0
M  V30 13 C -1.785921 1.443987 0.000000 0
M  V30 14 C -1.785921 2.268987 0.000000 0
M  V30 15 C -2.500392 2.681487 0.000000 0
M  V30 16 C -3.214863 2.268987 0.000000 0
M  V30 17 C -3.214863 1.443987 0.000000 0
M  V30 18 C 1.785921 -2.268680 0.000000 0
M  V30 19 C 2.500215 -2.681487 0.000000 0
M  V30 20 C 3.214863 -2.268680 0.000000 0
M  V30 21 C 3.214863 -1.443680 0.000000 0
M  V30 22 C 2.500215 -1.030873 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 3 1
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 3 9
M  V30 9 1 9 10
M  V30 10 2 7 11
M  V30 11 2 9 12
M  V30 12 2 8 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 8
M  V30 18 2 10 18
M  V30 19 1 18 19
M  V30 20 2 19 20
M  V30 21 1 20 21
M  V30 22 2 21 22
M  V30 23 1 22 10
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M905-s002-mod

>  <DOI>
10.3390/M905

$$$$

File : molbank-2016-M905-s001.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.357084 -1.030529 0.000000 0
M  V30 2 C -1.071502 -1.443271 0.000000 0
M  V30 3 O 0.357334 -1.443271 0.000000 0
M  V30 4 C -1.785921 -1.030529 0.000000 0
M  V30 5 C -2.500339 -1.443271 0.000000 0
M  V30 6 O -1.785921 -0.206013 0.000000 0
M  V30 7 C -2.500392 0.206487 0.000000 0
M  V30 8 C -2.500392 1.031487 0.000000 0
M  V30 9 C 1.071923 -1.030976 0.000000 0
M  V30 10 C 1.786276 -1.443680 0.000000 0
M  V30 11 O -3.214863 -0.206013 0.000000 0
M  V30 12 O 1.072159 -0.205976 0.000000 0
M  V30 13 C -1.785921 1.443987 0.000000 0
M  V30 14 C -1.785921 2.268987 0.000000 0
M  V30 15 C -2.500392 2.681487 0.000000 0
M  V30 16 C -3.214863 2.268987 0.000000 0
M  V30 17 C -3.214863 1.443987 0.000000 0
M  V30 18 C 1.785921 -2.268680 0.000000 0
M  V30 19 C 2.500215 -2.681487 0.000000 0
M  V30 20 C 3.214863 -2.268680 0.000000 0
M  V30 21 C 3.214863 -1.443680 0.000000 0
M  V30 22 C 2.500215 -1.030873 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 3 1
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 3 9
M  V30 9 1 9 10
M  V30 10 2 7 11
M  V30 11 2 9 12
M  V30 12 2 8 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 8
M  V30 18 2 10 18
M  V30 19 1 18 19
M  V30 20 2 19 20
M  V30 21 1 20 21
M  V30 22 2 21 22
M  V30 23 1 22 10
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M905-s001

>  <DOI>
10.3390/M905

$$$$

File : molbank-2016-M905-s001-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.357084 -1.030529 0.000000 0
M  V30 2 C -1.071502 -1.443271 0.000000 0
M  V30 3 O 0.357334 -1.443271 0.000000 0
M  V30 4 C -1.785921 -1.030529 0.000000 0
M  V30 5 C -2.500339 -1.443271 0.000000 0
M  V30 6 O -1.785921 -0.206013 0.000000 0
M  V30 7 C -2.500392 0.206487 0.000000 0
M  V30 8 C -2.500392 1.031487 0.000000 0
M  V30 9 C 1.071923 -1.030976 0.000000 0
M  V30 10 C 1.786276 -1.443680 0.000000 0
M  V30 11 O -3.214863 -0.206013 0.000000 0
M  V30 12 O 1.072159 -0.205976 0.000000 0
M  V30 13 C -1.785921 1.443987 0.000000 0
M  V30 14 C -1.785921 2.268987 0.000000 0
M  V30 15 C -2.500392 2.681487 0.000000 0
M  V30 16 C -3.214863 2.268987 0.000000 0
M  V30 17 C -3.214863 1.443987 0.000000 0
M  V30 18 C 1.785921 -2.268680 0.000000 0
M  V30 19 C 2.500215 -2.681487 0.000000 0
M  V30 20 C 3.214863 -2.268680 0.000000 0
M  V30 21 C 3.214863 -1.443680 0.000000 0
M  V30 22 C 2.500215 -1.030873 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 3 1
M  V30 3 1 2 4
M  V30 4 1 4 5
M  V30 5 1 4 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 3 9
M  V30 9 1 9 10
M  V30 10 2 7 11
M  V30 11 2 9 12
M  V30 12 2 8 13
M  V30 13 1 13 14
M  V30 14 2 14 15
M  V30 15 1 15 16
M  V30 16 2 16 17
M  V30 17 1 17 8
M  V30 18 2 10 18
M  V30 19 1 18 19
M  V30 20 2 19 20
M  V30 21 1 20 21
M  V30 22 2 21 22
M  V30 23 1 22 10
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M905-s001-mod

>  <DOI>
10.3390/M905

$$$$

File : molbank-2016-M904-s002.mol

 28 29  0  0  0  0  0  0  0  0999 V2000
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   -0.8269    1.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4574    0.6382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.2610   -0.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5401   -0.8398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1964   -0.8398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3101   -0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3075   -0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3101   -2.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2636   -0.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 12 19  1  0  0  0  0
  4 19  1  0  0  0  0
  7 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
A  026
(CH2)6
M  END
>  <MOL_ID>
molbank-2016-M904-s002

>  <DOI>
10.3390/M904

$$$$

File : molbank-2016-M903-s001.mol

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.2151    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.6188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -1.8563    0.0000 Br  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  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 10 16  1  0
 14 17  1  0
 16  9  2  0
M  END
>  <MOL_ID>
molbank-2016-M903-s001

>  <DOI>
10.3390/M903

$$$$

File : molbank-2016-M902-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 42 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.428942 2.887500 0.000000 0
M  V30 2 C -1.428942 2.062500 0.000000 0
M  V30 3 C -0.714471 1.650000 0.000000 0
M  V30 4 C 0.000000 2.062500 0.000000 0
M  V30 5 C 0.000000 2.887500 0.000000 0
M  V30 6 C -0.714471 3.300000 0.000000 0
M  V30 7 C 0.714471 1.650000 0.000000 0
M  V30 8 N 1.428942 2.062500 0.000000 0
M  V30 9 C 1.428942 2.887500 0.000000 0
M  V30 10 C 0.714471 3.300000 0.000000 0
M  V30 11 C 2.143413 1.650000 0.000000 0
M  V30 12 O 2.857884 2.062500 0.000000 0
M  V30 13 C 2.143413 0.825000 0.000000 0
M  V30 14 C 1.428942 0.412500 0.000000 0
M  V30 15 C 1.428942 -0.412500 0.000000 0
M  V30 16 C 2.143413 -0.825000 0.000000 0
M  V30 17 C 2.857884 -0.412500 0.000000 0
M  V30 18 C 2.857884 0.412500 0.000000 0
M  V30 19 C 2.143413 -1.650000 0.000000 0
M  V30 20 O 2.857884 -2.062500 0.000000 0
M  V30 21 N 1.428942 -2.062500 0.000000 0
M  V30 22 C 0.714471 -1.650000 0.000000 0
M  V30 23 C 0.000000 -2.062500 0.000000 0
M  V30 24 C 0.000000 -2.887500 0.000000 0
M  V30 25 C 0.714471 -3.300000 0.000000 0
M  V30 26 C 1.428942 -2.887500 0.000000 0
M  V30 27 C -0.714471 -1.650000 0.000000 0
M  V30 28 C -1.428942 -2.062500 0.000000 0
M  V30 29 C -1.428942 -2.887500 0.000000 0
M  V30 30 C -0.714471 -3.300000 0.000000 0
M  V30 31 O -2.143413 3.300000 0.000000 0
M  V30 32 C -2.857884 2.887500 0.000000 0
M  V30 33 C -2.857884 2.062500 0.000000 0
M  V30 34 O -2.143413 1.650000 0.000000 0
M  V30 35 O -2.143413 -1.650000 0.000000 0
M  V30 36 C -2.857884 -2.062500 0.000000 0
M  V30 37 C -2.857884 -2.887500 0.000000 0
M  V30 38 O -2.143413 -3.300000 0.000000 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 1 4 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 10
M  V30 11 1 10 5
M  V30 12 1 8 11
M  V30 13 2 11 12
M  V30 14 1 11 13
M  V30 15 2 13 14
M  V30 16 1 14 15
M  V30 17 2 15 16
M  V30 18 1 16 17
M  V30 19 2 17 18
M  V30 20 1 18 13
M  V30 21 1 16 19
M  V30 22 2 19 20
M  V30 23 1 19 21
M  V30 24 1 21 22
M  V30 25 1 22 23
M  V30 26 2 23 24
M  V30 27 1 24 25
M  V30 28 1 25 26
M  V30 29 1 26 21
M  V30 30 1 23 27
M  V30 31 2 27 28
M  V30 32 1 28 29
M  V30 33 2 29 30
M  V30 34 1 30 24
M  V30 35 1 1 31
M  V30 36 1 31 32
M  V30 37 1 33 34
M  V30 38 1 34 2
M  V30 39 1 28 35
M  V30 40 1 35 36
M  V30 41 1 37 38
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M902-s002

>  <DOI>
10.3390/M902

$$$$

File : molbank-2016-M902-s002-mod.mol

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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M902-s002-mod

>  <DOI>
10.3390/M902

$$$$

File : molbank-2016-M901-s002.mol

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>  <MOL_ID>
molbank-2016-M901-s002

>  <DOI>
10.3390/M901

$$$$

File : molbank-2016-M901-s002-mod.mol

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>  <MOL_ID>
molbank-2016-M901-s002-mod

>  <DOI>
10.3390/M901

$$$$

File : molbank-2016-M900-s001.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  57  58  59  60
M  SBL   1  1   4
M  SMT   1 Ac^O
M  SBV   1   4   -0.4823    0.6714
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  61  62  63  64
M  SBL   2  1   5
M  SMT   2 ^OAc
M  SBV   2   5    0.8025    0.0118
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  65  66  67  68
M  SBL   3  1   9
M  SMT   3 OAc
M  SBV   3   9   -0.3382   -0.7540
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  69  70  71  72
M  SBL   4  1  13
M  SMT   4 ^OAc
M  SBV   4  13    0.2178    0.7930
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  4  73  74  75  76
M  SBL   5  1  17
M  SMT   5 ^OAc
M  SBV   5  17    0.5132   -0.6171
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  4  77  78  79  80
M  SBL   6  1  21
M  SMT   6 OAc
M  SBV   6  21   -0.7968   -0.2115
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  4  81  82  83  84
M  SBL   7  1  25
M  SMT   7 ^OAc
M  SBV   7  25    0.7557    0.3309
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  4  85  86  87  88
M  SBL   8  1  29
M  SMT   8 OAc
M  SBV   8  29   -0.1572   -0.7829
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  4  89  90  91  92
M  SBL   9  1  33
M  SMT   9 OAc
M  SBV   9  33   -0.6676    0.4887
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  4  93  94  95  96
M  SBL  10  1  40
M  SMT  10 OAc
M  SBV  10  40    0.5834   -0.5834
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  4  97  98  99 100
M  SBL  11  1  41
M  SMT  11 OAc
M  SBV  11  41   -0.7162   -0.3596
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  4 101 102 103 104
M  SBL  12  1  45
M  SMT  12 OAc
M  SBV  12  45   -0.0219    0.8267
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  4 105 106 107 108
M  SBL  13  1  52
M  SMT  13 OAc
M  SBV  13  52    0.1509   -0.8100
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14  4 109 110 111 112
M  SBL  14  1  53
M  SMT  14 OAc
M  SBV  14  53   -0.7312    0.3260
M  STY  1  15 SUP
M  SLB  1  15  15
M  SAL  15  4 113 114 115 116
M  SBL  15  1  57
M  SMT  15 ^OAc
M  SBV  15  57    0.6252    0.5396
M  STY  1  16 SUP
M  SLB  1  16  16
M  SAL  16  4 117 118 119 120
M  SBL  16  1  61
M  SMT  16 OAc
M  SBV  16  61   -0.5448   -0.6187
M  STY  1  17 SUP
M  SLB  1  17  17
M  SAL  17  4 121 122 123 124
M  SBL  17  1  65
M  SMT  17 OAc
M  SBV  17  65   -0.1873    0.7736
M  STY  1  18 SUP
M  SLB  1  18  18
M  SAL  18  4 125 126 127 128
M  SBL  18  1  69
M  SMT  18 ^OAc
M  SBV  18  69    0.8089   -0.1619
M  STY  1  19 SUP
M  SLB  1  19  19
M  SAL  19  4 129 130 131 132
M  SBL  19  1  73
M  SMT  19 ^OAc
M  SBV  19  73    0.4813    0.6341
M  STY  1  20 SUP
M  SLB  1  20  20
M  SAL  20  4 133 134 135 136
M  SBL  20  1  77
M  SMT  20 ^OAc
M  SBV  20  77    0.3871   -0.7353
M  END
>  <MOL_ID>
molbank-2016-M900-s001

>  <DOI>
10.3390/M900

$$$$

File : molbank-2016-M900-s001-mod.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  57  58  59  60
M  SBL   1  1   4
M  SMT   1 Ac^O
M  SBV   1   4   -0.4823    0.6714
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  61  62  63  64
M  SBL   2  1   5
M  SMT   2 ^OAc
M  SBV   2   5    0.8025    0.0118
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  65  66  67  68
M  SBL   3  1   9
M  SMT   3 OAc
M  SBV   3   9   -0.3382   -0.7540
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  69  70  71  72
M  SBL   4  1  13
M  SMT   4 ^OAc
M  SBV   4  13    0.2178    0.7930
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  4  73  74  75  76
M  SBL   5  1  17
M  SMT   5 ^OAc
M  SBV   5  17    0.5132   -0.6171
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  4  77  78  79  80
M  SBL   6  1  21
M  SMT   6 OAc
M  SBV   6  21   -0.7968   -0.2115
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  4  81  82  83  84
M  SBL   7  1  25
M  SMT   7 ^OAc
M  SBV   7  25    0.7557    0.3309
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  4  85  86  87  88
M  SBL   8  1  29
M  SMT   8 OAc
M  SBV   8  29   -0.1572   -0.7829
M  STY  1   9 SUP
M  SLB  1   9   9
M  SAL   9  4  89  90  91  92
M  SBL   9  1  33
M  SMT   9 OAc
M  SBV   9  33   -0.6676    0.4887
M  STY  1  10 SUP
M  SLB  1  10  10
M  SAL  10  4  93  94  95  96
M  SBL  10  1  40
M  SMT  10 OAc
M  SBV  10  40    0.5834   -0.5834
M  STY  1  11 SUP
M  SLB  1  11  11
M  SAL  11  4  97  98  99 100
M  SBL  11  1  41
M  SMT  11 OAc
M  SBV  11  41   -0.7162   -0.3596
M  STY  1  12 SUP
M  SLB  1  12  12
M  SAL  12  4 101 102 103 104
M  SBL  12  1  45
M  SMT  12 OAc
M  SBV  12  45   -0.0219    0.8267
M  STY  1  13 SUP
M  SLB  1  13  13
M  SAL  13  4 105 106 107 108
M  SBL  13  1  52
M  SMT  13 OAc
M  SBV  13  52    0.1509   -0.8100
M  STY  1  14 SUP
M  SLB  1  14  14
M  SAL  14  4 109 110 111 112
M  SBL  14  1  53
M  SMT  14 OAc
M  SBV  14  53   -0.7312    0.3260
M  STY  1  15 SUP
M  SLB  1  15  15
M  SAL  15  4 113 114 115 116
M  SBL  15  1  57
M  SMT  15 ^OAc
M  SBV  15  57    0.6252    0.5396
M  STY  1  16 SUP
M  SLB  1  16  16
M  SAL  16  4 117 118 119 120
M  SBL  16  1  61
M  SMT  16 OAc
M  SBV  16  61   -0.5448   -0.6187
M  STY  1  17 SUP
M  SLB  1  17  17
M  SAL  17  4 121 122 123 124
M  SBL  17  1  65
M  SMT  17 OAc
M  SBV  17  65   -0.1873    0.7736
M  STY  1  18 SUP
M  SLB  1  18  18
M  SAL  18  4 125 126 127 128
M  SBL  18  1  69
M  SMT  18 ^OAc
M  SBV  18  69    0.8089   -0.1619
M  STY  1  19 SUP
M  SLB  1  19  19
M  SAL  19  4 129 130 131 132
M  SBL  19  1  73
M  SMT  19 ^OAc
M  SBV  19  73    0.4813    0.6341
M  STY  1  20 SUP
M  SLB  1  20  20
M  SAL  20  4 133 134 135 136
M  SBL  20  1  77
M  SMT  20 ^OAc
M  SBV  20  77    0.3871   -0.7353
M  END
>  <MOL_ID>
molbank-2016-M900-s001-mod

>  <DOI>
10.3390/M900

$$$$

File : molbank-2016-M899-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 14 15 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.074975 0.000000 0.000000 0
M  V30 2 C -1.074975 -0.825000 0.000000 0
M  V30 3 C -0.359975 -1.237500 0.000000 0
M  V30 4 C 0.353925 -0.825000 0.000000 0
M  V30 5 C 0.353925 0.000000 0.000000 0
M  V30 6 C -0.359975 0.412500 0.000000 0
M  V30 7 N 1.068375 -1.237500 0.000000 0
M  V30 8 C 1.782825 -0.825000 0.000000 0
M  V30 9 S 1.782825 0.000000 0.000000 0
M  V30 10 C 1.068375 0.412500 0.000000 0
M  V30 11 N 2.503325 -1.227050 0.000000 0
M  V30 12 N -1.789424 0.412500 0.000000 0 CHG=1
M  V30 13 O -1.789424 1.237500 0.000000 0
M  V30 14 O -2.503325 0.000000 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 12
M  V30 2 2 12 13
M  V30 3 1 12 14
M  V30 4 2 1 2
M  V30 5 1 2 3
M  V30 6 2 3 4
M  V30 7 1 4 5
M  V30 8 2 5 6
M  V30 9 1 6 1
M  V30 10 1 4 7
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 10 5
M  V30 15 1 8 11
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 12 13 14) XBONDS=(1 1) LABEL="O2^N" CSTATE=(4 1 -
M  V30 0.714449 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M899-s002

>  <DOI>
10.3390/M899

$$$$

File : molbank-2016-M899-s002-mod.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 14 15 1 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.074975 0.000000 0.000000 0
M  V30 2 C -1.074975 -0.825000 0.000000 0
M  V30 3 C -0.359975 -1.237500 0.000000 0
M  V30 4 C 0.353925 -0.825000 0.000000 0
M  V30 5 C 0.353925 0.000000 0.000000 0
M  V30 6 C -0.359975 0.412500 0.000000 0
M  V30 7 N 1.068375 -1.237500 0.000000 0
M  V30 8 C 1.782825 -0.825000 0.000000 0
M  V30 9 S 1.782825 0.000000 0.000000 0
M  V30 10 C 1.068375 0.412500 0.000000 0
M  V30 11 N 2.503325 -1.227050 0.000000 0
M  V30 12 N -1.789424 0.412500 0.000000 0 CHG=1
M  V30 13 O -1.789424 1.237500 0.000000 0
M  V30 14 O -2.503325 0.000000 0.000000 0 CHG=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 12
M  V30 2 2 12 13
M  V30 3 1 12 14
M  V30 4 2 1 2
M  V30 5 1 2 3
M  V30 6 2 3 4
M  V30 7 1 4 5
M  V30 8 2 5 6
M  V30 9 1 6 1
M  V30 10 1 4 7
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 10 5
M  V30 15 1 8 11
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(3 12 13 14) XBONDS=(1 1) LABEL="O2^N" CSTATE=(4 1 -
M  V30 0.714449 -0.412500 0)
M  V30 END SGROUP
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M899-s002-mod

>  <DOI>
10.3390/M899

$$$$

File : molbank-2016-M898-s002.mol

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    0.2762   -0.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763    2.1691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9907   -1.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7052   -0.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7052   -0.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907    1.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907   -2.1691    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    0.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1291   -0.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  1  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  2  0
  7  8  1  0
  8  9  1  1
  1  8  1  0
  7 10  1  0
  3 10  1  0
 10 11  1  1
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 11 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
 14 19  1  0
 16 20  1  0
 20 21  1  0
M  END
>  <MOL_ID>
molbank-2016-M898-s002

>  <DOI>
10.3390/M898

$$$$

File : molbank-2016-M898-s002-mod.mol

 21 23  0  0  0  0  0  0  0  0999 V2000
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    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <MOL_ID>
molbank-2016-M898-s002-mod

>  <DOI>
10.3390/M898

$$$$

File : molbank-2016-M897-s002.mol

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
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M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 4 1 4 5
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M  V30 18 2 13 17
M  V30 19 1 17 18
M  V30 20 2 18 19
M  V30 21 1 19 20
M  V30 22 1 20 13
M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M897-s002

>  <DOI>
10.3390/M897

$$$$

File : molbank-2016-M897-s002-mod.mol

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M  V30 BEGIN ATOM
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M  V30 END ATOM
M  V30 BEGIN BOND
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M  V30 4 1 4 5
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M  V30 END BOND
M  V30 END CTAB
M  END
>  <MOL_ID>
molbank-2016-M897-s002-mod

>  <DOI>
10.3390/M897

$$$$

File : molbank-2016-M896-s002.mol

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>  <MOL_ID>
molbank-2016-M896-s002

>  <DOI>
10.3390/M896

$$$$

File : molbank-2016-M896-s002-mod.mol

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>  <MOL_ID>
molbank-2016-M896-s002-mod

>  <DOI>
10.3390/M896

$$$$

File : molbank-2016-M894-s002.mol

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M  END
>  <MOL_ID>
molbank-2016-M894-s002

>  <DOI>
10.3390/M894

$$$$

File : molbank-2016-M894-s002-mod.mol

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>  <MOL_ID>
molbank-2016-M894-s002-mod

>  <DOI>
10.3390/M894

$$$$

File : molbank-2016-M893-s002.mol

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M  END
>  <MOL_ID>
molbank-2016-M893-s002

>  <DOI>
10.3390/M893

$$$$

File : molbank-2016-M893-s002-mod.mol

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M  END
>  <MOL_ID>
molbank-2016-M893-s002-mod

>  <DOI>
10.3390/M893

$$$$

File : molbank-2016-M892-s002.mol

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M  END
>  <MOL_ID>
molbank-2016-M892-s002

>  <DOI>
10.3390/M892

$$$$

File : molbank-2016-M892-s002-mod.mol

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>  <MOL_ID>
molbank-2016-M892-s002-mod

>  <DOI>
10.3390/M892

$$$$

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>  <MOL_ID>
molbank-2016-M891-s002

>  <DOI>
10.3390/M891

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>  <MOL_ID>
molbank-2016-M891-s002-mod

>  <DOI>
10.3390/M891

$$$$

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>  <MOL_ID>
molbank-2016-M890-s001

>  <DOI>
10.3390/M890

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>  <MOL_ID>
molbank-2016-M890-s001-mod

>  <DOI>
10.3390/M890

$$$$

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>  <MOL_ID>
molbank-2016-M889-s002

>  <DOI>
10.3390/M889

$$$$

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>  <MOL_ID>
molbank-2016-M889-s002-mod

>  <DOI>
10.3390/M889

$$$$

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>  <MOL_ID>
molbank-2016-M888-s001

>  <DOI>
10.3390/M888

$$$$

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>  <MOL_ID>
molbank-2016-M888-s001-mod

>  <DOI>
10.3390/M888

$$$$

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>  <MOL_ID>
molbank-2016-M886-s001

>  <DOI>
10.3390/M886

$$$$

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>  <DOI>
10.3390/M886

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>  <MOL_ID>
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>  <DOI>
10.3390/M885

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>  <MOL_ID>
molbank-2016-M885-s002-mod

>  <DOI>
10.3390/M885

$$$$

File : molbank-2016-M884-s002.mol

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>  <MOL_ID>
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>  <DOI>
10.3390/M884

$$$$

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>  <MOL_ID>
molbank-2016-M884-s002-mod

>  <DOI>
10.3390/M884

$$$$

File : molbank-2016-M883-s002.mol

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>  <MOL_ID>
molbank-2016-M883-s002

>  <DOI>
10.3390/M883

$$$$

File : molbank-2016-M883-s002-mod.mol

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>  <MOL_ID>
molbank-2016-M883-s002-mod

>  <DOI>
10.3390/M883

$$$$

File : molbank-2016-M882-s002.mol

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>  <MOL_ID>
molbank-2016-M882-s002

>  <DOI>
10.3390/M882

$$$$

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>  <MOL_ID>
molbank-2016-M882-s002-mod

>  <DOI>
10.3390/M882

$$$$

File : molbank-2015-M881-s002.mol

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M  END
>  <MOL_ID>
molbank-2015-M881-s002

>  <DOI>
10.3390/M881

$$$$

File : molbank-2015-M881-s002-mod.mol

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molbank-2015-M881-s002-mod

>  <DOI>
10.3390/M881

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>  <MOL_ID>
molbank-2015-M880-s001

>  <DOI>
10.3390/M880

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>  <MOL_ID>
molbank-2015-M880-s001-mod

>  <DOI>
10.3390/M880

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>  <MOL_ID>
molbank-2015-M879-s001

>  <DOI>
10.3390/M879

$$$$

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molbank-2015-M879-s001-mod

>  <DOI>
10.3390/M879

$$$$

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>  <MOL_ID>
molbank-2015-M878-s001

>  <DOI>
10.3390/M878

$$$$

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>  <MOL_ID>
molbank-2015-M878-s001-mod

>  <DOI>
10.3390/M878

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M877

$$$$

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>  <MOL_ID>
molbank-2015-M877-s002-mod

>  <DOI>
10.3390/M877

$$$$

File : molbank-2015-M876-s001.mol

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>  <MOL_ID>
molbank-2015-M876-s001

>  <DOI>
10.3390/M876

$$$$

File : molbank-2015-M876-s001-mod.mol

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>  <MOL_ID>
molbank-2015-M876-s001-mod

>  <DOI>
10.3390/M876

$$$$

File : molbank-2015-M875-s002.mol

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>  <MOL_ID>
molbank-2015-M875-s002

>  <DOI>
10.3390/M875

$$$$

File : molbank-2015-M875-s002-mod.mol

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>  <MOL_ID>
molbank-2015-M875-s002-mod

>  <DOI>
10.3390/M875

$$$$

File : molbank-2015-M874-s002.mol

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>  <MOL_ID>
molbank-2015-M874-s002

>  <DOI>
10.3390/M874

$$$$

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>  <DOI>
10.3390/M874

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>  <MOL_ID>
molbank-2015-M873-s002

>  <DOI>
10.3390/M873

$$$$

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>  <MOL_ID>
molbank-2015-M873-s002-mod

>  <DOI>
10.3390/M873

$$$$

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>  <MOL_ID>
molbank-2015-M872-s001

>  <DOI>
10.3390/M872

$$$$

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>  <MOL_ID>
molbank-2015-M872-s001-mod

>  <DOI>
10.3390/M872

$$$$

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>  <MOL_ID>
molbank-2015-M871

>  <DOI>
10.3390/M871

$$$$

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>  <MOL_ID>
molbank-2015-M871-s001

>  <DOI>
10.3390/M871

$$$$

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>  <MOL_ID>
molbank-2015-M871-s001-mod

>  <DOI>
10.3390/M871

$$$$

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>  <MOL_ID>
molbank-2015-M871-mod

>  <DOI>
10.3390/M871

$$$$

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>  <MOL_ID>
molbank-2015-M870-s001

>  <DOI>
10.3390/M870

$$$$

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>  <MOL_ID>
molbank-2015-M870-s001-mod

>  <DOI>
10.3390/M870

$$$$

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>  <MOL_ID>
molbank-2015-M869-s002

>  <DOI>
10.3390/M869

$$$$

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>  <MOL_ID>
molbank-2015-M869-s002-mod

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2015-M868-s001

>  <DOI>
10.3390/M868

$$$$

File : molbank-2015-M868-s001-mod.mol

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>  <MOL_ID>
molbank-2015-M868-s001-mod

>  <DOI>
10.3390/M868

$$$$

File : molbank-2015-M867-s001.mol

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>  <MOL_ID>
molbank-2015-M867-s001

>  <DOI>
10.3390/M867

$$$$

File : molbank-2015-M867-s001-mod.mol

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>  <MOL_ID>
molbank-2015-M867-s001-mod

>  <DOI>
10.3390/M867

$$$$

File : molbank-2015-M866-s002.mol

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>  <MOL_ID>
molbank-2015-M866-s002

>  <DOI>
10.3390/M866

$$$$

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>  <MOL_ID>
molbank-2015-M866-s002-mod

>  <DOI>
10.3390/M866

$$$$

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M  END
>  <MOL_ID>
molbank-2015-M865-s003

>  <DOI>
10.3390/M865

$$$$

File : molbank-2015-M865-s003-mod.mol

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>  <MOL_ID>
molbank-2015-M865-s003-mod

>  <DOI>
10.3390/M865

$$$$

File : molbank-2015-M864-s004.mol

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>  <MOL_ID>
molbank-2015-M864-s004

>  <DOI>
10.3390/M864

$$$$

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>  <MOL_ID>
molbank-2015-M864-s004-mod

>  <DOI>
10.3390/M864

$$$$

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>  <MOL_ID>
molbank-2015-M863-s001

>  <DOI>
10.3390/M863

$$$$

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>  <MOL_ID>
molbank-2015-M863-s001-mod

>  <DOI>
10.3390/M863

$$$$

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>  <MOL_ID>
molbank-2015-M862-s001

>  <DOI>
10.3390/M862

$$$$

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>  <MOL_ID>
molbank-2015-M862-s001-mod

>  <DOI>
10.3390/M862

$$$$

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>  <MOL_ID>
molbank-2015-M861-s001

>  <DOI>
10.3390/M861

$$$$

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>  <MOL_ID>
molbank-2015-M861-s001-mod

>  <DOI>
10.3390/M861

$$$$

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>  <MOL_ID>
molbank-2015-M860-s001

>  <DOI>
10.3390/M860

$$$$

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>  <MOL_ID>
molbank-2015-M860-s001-mod

>  <DOI>
10.3390/M860

$$$$

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>  <MOL_ID>
molbank-2015-M859-s002

>  <DOI>
10.3390/M859

$$$$

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>  <MOL_ID>
molbank-2015-M859-s002-mod

>  <DOI>
10.3390/M859

$$$$

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>  <MOL_ID>
molbank-2015-M858-s002

>  <DOI>
10.3390/M858

$$$$

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>  <DOI>
10.3390/M858

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molbank-2015-M857-s002

>  <DOI>
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molbank-2015-M857-s002-mod

>  <DOI>
10.3390/M857

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>  <DOI>
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>  <MOL_ID>
molbank-2015-M855-s001

>  <DOI>
10.3390/M855

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>  <MOL_ID>
molbank-2015-M855-s001-mod

>  <DOI>
10.3390/M855

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>  <MOL_ID>
molbank-2015-M854-s001

>  <DOI>
10.3390/M854

$$$$

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>  <MOL_ID>
molbank-2015-M854-s001-mod

>  <DOI>
10.3390/M854

$$$$

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>  <MOL_ID>
molbank-2015-M853-s002

>  <DOI>
10.3390/M853

$$$$

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>  <MOL_ID>
molbank-2015-M853-s002-mod

>  <DOI>
10.3390/M853

$$$$

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>  <DOI>
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>  <MOL_ID>
molbank-2015-M852-s002-mod

>  <DOI>
10.3390/M852

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molbank-2015-M851-s002

>  <DOI>
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>  <DOI>
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molbank-2015-M850-s002

>  <DOI>
10.3390/M850

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>  <MOL_ID>
molbank-2015-M850-s002-mod

>  <DOI>
10.3390/M850

$$$$

File : molbank-2015-M849-s002.mol

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>  <MOL_ID>
molbank-2015-M849-s002

>  <DOI>
10.3390/M849

$$$$

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>  <MOL_ID>
molbank-2015-M849-s002-mod

>  <DOI>
10.3390/M849

$$$$

File : molbank-2015-M848-s002.mol

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>  <MOL_ID>
molbank-2015-M848-s002

>  <DOI>
10.3390/M848

$$$$

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>  <MOL_ID>
molbank-2015-M848-s002-mod

>  <DOI>
10.3390/M848

$$$$

File : molbank-2015-M847-s002.mol

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>  <MOL_ID>
molbank-2015-M847-s002

>  <DOI>
10.3390/M847

$$$$

File : molbank-2015-M847-s002-mod.mol

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>  <MOL_ID>
molbank-2015-M847-s002-mod

>  <DOI>
10.3390/M847

$$$$

File : molbank-2015-M846-s001.mol

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>  <DOI>
10.3390/M846

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>  <MOL_ID>
molbank-2015-M846-s001-mod

>  <DOI>
10.3390/M846

$$$$

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>  <MOL_ID>
molbank-2015-M845-s002

>  <DOI>
10.3390/M845

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>  <MOL_ID>
molbank-2015-M845-s002-mod

>  <DOI>
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>  <MOL_ID>
molbank-2015-M844-s002

>  <DOI>
10.3390/M844

$$$$

File : molbank-2015-M844-s002-mod.mol

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>  <MOL_ID>
molbank-2015-M844-s002-mod

>  <DOI>
10.3390/M844

$$$$

File : molbank-2015-M843-s001.mol

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>  <MOL_ID>
molbank-2015-M843-s001

>  <DOI>
10.3390/M843

$$$$

File : molbank-2015-M843-s001-mod.mol

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>  <MOL_ID>
molbank-2015-M843-s001-mod

>  <DOI>
10.3390/M843

$$$$

File : molbank-2015-M842-s001.mol

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>  <MOL_ID>
molbank-2015-M842-s001

>  <DOI>
10.3390/M842

$$$$

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>  <MOL_ID>
molbank-2015-M842-s001-mod

>  <DOI>
10.3390/M842

$$$$

File : molbank-2015-M841-s001.mol

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>  <MOL_ID>
molbank-2015-M841-s001

>  <DOI>
10.3390/M841

$$$$

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>  <MOL_ID>
molbank-2015-M841-s001-mod

>  <DOI>
10.3390/M841

$$$$

File : molbank-2015-M840-s001.mol

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>  <MOL_ID>
molbank-2015-M840-s001

>  <DOI>
10.3390/M840

$$$$

File : molbank-2015-M840-s001-mod.mol

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>  <MOL_ID>
molbank-2015-M840-s001-mod

>  <DOI>
10.3390/M840

$$$$

File : molbank-2015-M838-s001.mol

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>  <MOL_ID>
molbank-2015-M838-s001

>  <DOI>
10.3390/M838

$$$$

File : molbank-2015-M838-s001-mod.mol

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>  <MOL_ID>
molbank-2015-M838-s001-mod

>  <DOI>
10.3390/M838

$$$$

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>  <MOL_ID>
molbank-2014-M837-s002

>  <DOI>
10.3390/M837

$$$$

File : molbank-2014-M837-s002-mod.mol

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>  <MOL_ID>
molbank-2014-M837-s002-mod

>  <DOI>
10.3390/M837

$$$$

File : molbank-2014-M836-s002.mol

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>  <MOL_ID>
molbank-2014-M836-s002

>  <DOI>
10.3390/M836

$$$$

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>  <MOL_ID>
molbank-2014-M836-s002-mod

>  <DOI>
10.3390/M836

$$$$

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>  <MOL_ID>
molbank-2014-M835-s001

>  <DOI>
10.3390/M835

$$$$

File : molbank-2014-M835-s001-mod.mol

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>  <MOL_ID>
molbank-2014-M835-s001-mod

>  <DOI>
10.3390/M835

$$$$

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>  <MOL_ID>
molbank-2014-M834-s001

>  <DOI>
10.3390/M834

$$$$

File : molbank-2014-M834-s001-mod.mol

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>  <MOL_ID>
molbank-2014-M834-s001-mod

>  <DOI>
10.3390/M834

$$$$

File : molbank-2014-M833-s001.mol

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>  <MOL_ID>
molbank-2014-M833-s001

>  <DOI>
10.3390/M833

$$$$

File : molbank-2014-M833-s001-mod.mol

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>  <MOL_ID>
molbank-2014-M833-s001-mod

>  <DOI>
10.3390/M833

$$$$

File : molbank-2014-M832-s001.mol

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>  <MOL_ID>
molbank-2014-M832-s001

>  <DOI>
10.3390/M832

$$$$

File : molbank-2014-M832-s001-mod.mol

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>  <MOL_ID>
molbank-2014-M832-s001-mod

>  <DOI>
10.3390/M832

$$$$

File : molbank-2014-M831-s002.mol

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>  <MOL_ID>
molbank-2014-M831-s002

>  <DOI>
10.3390/M831

$$$$

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>  <MOL_ID>
molbank-2014-M831-s002-mod

>  <DOI>
10.3390/M831

$$$$

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>  <MOL_ID>
molbank-2014-M830-s002

>  <DOI>
10.3390/M830

$$$$

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>  <MOL_ID>
molbank-2014-M830-s002-mod

>  <DOI>
10.3390/M830

$$$$

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>  <MOL_ID>
molbank-2014-M829-s001

>  <DOI>
10.3390/M829

$$$$

File : molbank-2014-M829-s001-mod.mol

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>  <MOL_ID>
molbank-2014-M829-s001-mod

>  <DOI>
10.3390/M829

$$$$

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>  <MOL_ID>
molbank-2014-M828-s002

>  <DOI>
10.3390/M828

$$$$

File : molbank-2014-M828-s002-mod.mol

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>  <MOL_ID>
molbank-2014-M828-s002-mod

>  <DOI>
10.3390/M828

$$$$

File : molbank-2014-M827-s001.mol

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M  END
>  <MOL_ID>
molbank-2014-M827-s001

>  <DOI>
10.3390/M827

$$$$

File : molbank-2014-M827-s001-mod.mol

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>  <MOL_ID>
molbank-2014-M827-s001-mod

>  <DOI>
10.3390/M827

$$$$

File : molbank-2014-M826-s002.mol

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>  <DOI>
10.3390/M826

$$$$

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10.3390/M826

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molbank-2014-M825-s001

>  <DOI>
10.3390/M825

$$$$

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>  <MOL_ID>
molbank-2014-M825-s001-mod

>  <DOI>
10.3390/M825

$$$$

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molbank-2014-M823-s003

>  <DOI>
10.3390/M823

$$$$

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>  <MOL_ID>
molbank-2014-M823-s003-mod

>  <DOI>
10.3390/M823

$$$$

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>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2014-M822-s001-mod

>  <DOI>
10.3390/M822

$$$$

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>  <MOL_ID>
molbank-2014-M821-s001

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2014-M821-s001-mod

>  <DOI>
10.3390/M821

$$$$

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>  <MOL_ID>
molbank-2014-M820-s002

>  <DOI>
10.3390/M820

$$$$

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>  <MOL_ID>
molbank-2014-M820-s002-mod

>  <DOI>
10.3390/M820

$$$$

File : molbank-2014-M819-s001.mol

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>  <MOL_ID>
molbank-2014-M819-s001

>  <DOI>
10.3390/M819

$$$$

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>  <MOL_ID>
molbank-2014-M819-s001-mod

>  <DOI>
10.3390/M819

$$$$

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>  <MOL_ID>
molbank-2014-M818-s001

>  <DOI>
10.3390/M818

$$$$

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>  <MOL_ID>
molbank-2014-M818-s001-mod

>  <DOI>
10.3390/M818

$$$$

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>  <MOL_ID>
molbank-2014-M816-s001

>  <DOI>
10.3390/M816

$$$$

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>  <MOL_ID>
molbank-2014-M816-s001-mod

>  <DOI>
10.3390/M816

$$$$

File : molbank-2014-M815-s002.mol

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>  <MOL_ID>
molbank-2014-M815-s002

>  <DOI>
10.3390/M815

$$$$

File : molbank-2014-M815-s002-mod.mol

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>  <MOL_ID>
molbank-2014-M815-s002-mod

>  <DOI>
10.3390/M815

$$$$

File : molbank-2014-M814-s002.mol

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M  CHG  2  11   1  60  -1
M  END
>  <MOL_ID>
molbank-2014-M814-s002

>  <DOI>
10.3390/M814

$$$$

File : molbank-2014-M814-s002-mod.mol

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M  CHG  2  11   1  60  -1
M  END
>  <MOL_ID>
molbank-2014-M814-s002-mod

>  <DOI>
10.3390/M814

$$$$

File : molbank-2014-M813-s001.mol

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molbank-2014-M813-s001

>  <DOI>
10.3390/M813

$$$$

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>  <MOL_ID>
molbank-2014-M813-s001-mod

>  <DOI>
10.3390/M813

$$$$

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>  <MOL_ID>
molbank-2014-M812-s001

>  <DOI>
10.3390/M812

$$$$

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>  <MOL_ID>
molbank-2014-M812-s001-mod

>  <DOI>
10.3390/M812

$$$$

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molbank-2013-M811-s002

>  <DOI>
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molbank-2013-M811-s002-mod

>  <DOI>
10.3390/M811

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molbank-2013-M810-s001

>  <DOI>
10.3390/M810

$$$$

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>  <MOL_ID>
molbank-2013-M810-s001-mod

>  <DOI>
10.3390/M810

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>  <MOL_ID>
molbank-2013-M809-s001

>  <DOI>
10.3390/M809

$$$$

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>  <MOL_ID>
molbank-2013-M809-s001-mod

>  <DOI>
10.3390/M809

$$$$

File : molbank-2013-M808-s001.mol

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>  <MOL_ID>
molbank-2013-M808-s001

>  <DOI>
10.3390/M808

$$$$

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>  <MOL_ID>
molbank-2013-M808-s001-mod

>  <DOI>
10.3390/M808

$$$$

File : molbank-2013-M807-s001.mol

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>  <MOL_ID>
molbank-2013-M807-s001

>  <DOI>
10.3390/M807

$$$$

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>  <MOL_ID>
molbank-2013-M807-s001-mod

>  <DOI>
10.3390/M807

$$$$

File : molbank-2013-M806-s001.mol

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>  <MOL_ID>
molbank-2013-M806-s001

>  <DOI>
10.3390/M806

$$$$

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>  <MOL_ID>
molbank-2013-M806-s001-mod

>  <DOI>
10.3390/M806

$$$$

File : molbank-2013-M805-s001.mol

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>  <MOL_ID>
molbank-2013-M805-s001

>  <DOI>
10.3390/M805

$$$$

File : molbank-2013-M805-s001-mod.mol

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>  <MOL_ID>
molbank-2013-M805-s001-mod

>  <DOI>
10.3390/M805

$$$$

File : molbank-2013-M804-s001.mol

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>  <DOI>
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>  <DOI>
10.3390/M804

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>  <DOI>
10.3390/M803

$$$$

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>  <MOL_ID>
molbank-2013-M803-s001-mod

>  <DOI>
10.3390/M803

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>  <MOL_ID>
molbank-2013-M802-s001

>  <DOI>
10.3390/M802

$$$$

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molbank-2013-M802-s001-mod

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2013-M801-s001

>  <DOI>
10.3390/M801

$$$$

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>  <MOL_ID>
molbank-2013-M801-s001-mod

>  <DOI>
10.3390/M801

$$$$

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>  <MOL_ID>
molbank-2013-M800-s001

>  <DOI>
10.3390/M800

$$$$

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>  <MOL_ID>
molbank-2013-M800-s001-mod

>  <DOI>
10.3390/M800

$$$$

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>  <MOL_ID>
molbank-2013-M799-s001

>  <DOI>
10.3390/M799

$$$$

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>  <MOL_ID>
molbank-2013-M799-s001-mod

>  <DOI>
10.3390/M799

$$$$

File : molbank-2013-M798-s001.mol

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>  <MOL_ID>
molbank-2013-M798-s001

>  <DOI>
10.3390/M798

$$$$

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>  <MOL_ID>
molbank-2013-M798-s001-mod

>  <DOI>
10.3390/M798

$$$$

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>  <MOL_ID>
molbank-2013-M797-s002

>  <DOI>
10.3390/M797

$$$$

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>  <MOL_ID>
molbank-2013-M797-s002-mod

>  <DOI>
10.3390/M797

$$$$

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>  <MOL_ID>
molbank-2013-M796-s002

>  <DOI>
10.3390/M796

$$$$

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>  <MOL_ID>
molbank-2013-M796-s002-mod

>  <DOI>
10.3390/M796

$$$$

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M  END
>  <MOL_ID>
molbank-2013-M795-s002

>  <DOI>
10.3390/M795

$$$$

File : molbank-2013-M795-s002-mod.mol

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M  SCL   4
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M  END
>  <MOL_ID>
molbank-2013-M795-s002-mod

>  <DOI>
10.3390/M795

$$$$

File : molbank-2013-M794-s001.mol

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M  END
>  <MOL_ID>
molbank-2013-M794-s001

>  <DOI>
10.3390/M794

$$$$

File : molbank-2013-M794-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2013-M794-s001-mod

>  <DOI>
10.3390/M794

$$$$

File : molbank-2013-M793-s001.mol

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>  <MOL_ID>
molbank-2013-M793-s001

>  <DOI>
10.3390/M793

$$$$

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>  <MOL_ID>
molbank-2013-M793-s001-mod

>  <DOI>
10.3390/M793

$$$$

File : molbank-2013-M792-s001.mol

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M  END
>  <MOL_ID>
molbank-2013-M792-s001

>  <DOI>
10.3390/M792

$$$$

File : molbank-2013-M792-s001-mod.mol

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>  <MOL_ID>
molbank-2013-M792-s001-mod

>  <DOI>
10.3390/M792

$$$$

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>  <MOL_ID>
molbank-2013-M791-s002

>  <DOI>
10.3390/M791

$$$$

File : molbank-2013-M791-s002-mod.mol

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>  <MOL_ID>
molbank-2013-M791-s002-mod

>  <DOI>
10.3390/M791

$$$$

File : molbank-2012-M790-s001.mol

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>  <MOL_ID>
molbank-2012-M790-s001

>  <DOI>
10.3390/M790

$$$$

File : molbank-2012-M790-s001-mod.mol

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>  <MOL_ID>
molbank-2012-M790-s001-mod

>  <DOI>
10.3390/M790

$$$$

File : molbank-2012-M789-s002.mol

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>  <MOL_ID>
molbank-2012-M789-s002

>  <DOI>
10.3390/M789

$$$$

File : molbank-2012-M789-s002-mod.mol

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>  <MOL_ID>
molbank-2012-M789-s002-mod

>  <DOI>
10.3390/M789

$$$$

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>  <MOL_ID>
molbank-2012-M788-s002

>  <DOI>
10.3390/M788

$$$$

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>  <MOL_ID>
molbank-2012-M788-s002-mod

>  <DOI>
10.3390/M788

$$$$

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>  <MOL_ID>
molbank-2012-M787-s002

>  <DOI>
10.3390/M787

$$$$

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>  <MOL_ID>
molbank-2012-M784-s001

>  <DOI>
10.3390/M784

$$$$

File : molbank-2012-M784-s001-mod.mol

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>  <MOL_ID>
molbank-2012-M784-s001-mod

>  <DOI>
10.3390/M784

$$$$

File : molbank-2012-M783-s002.mol

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>  <MOL_ID>
molbank-2012-M783-s002

>  <DOI>
10.3390/M783

$$$$

File : molbank-2012-M783-s002-mod.mol

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>  <MOL_ID>
molbank-2012-M783-s002-mod

>  <DOI>
10.3390/M783

$$$$

File : molbank-2012-M782-s001.mol

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>  <MOL_ID>
molbank-2012-M782-s001

>  <DOI>
10.3390/M782

$$$$

File : molbank-2012-M782-s001-mod.mol

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>  <MOL_ID>
molbank-2012-M782-s001-mod

>  <DOI>
10.3390/M782

$$$$

File : molbank-2012-M781-s001.mol

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molbank-2012-M781-s001

>  <DOI>
10.3390/M781

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>  <MOL_ID>
molbank-2012-M781-s001-mod

>  <DOI>
10.3390/M781

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>  <MOL_ID>
molbank-2012-M780-s002

>  <DOI>
10.3390/M780

$$$$

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>  <MOL_ID>
molbank-2012-M780-s002-mod

>  <DOI>
10.3390/M780

$$$$

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>  <MOL_ID>
molbank-2012-M779-s001

>  <DOI>
10.3390/M779

$$$$

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>  <MOL_ID>
molbank-2012-M779-s001-mod

>  <DOI>
10.3390/M779

$$$$

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>  <MOL_ID>
molbank-2012-M778-s002

>  <DOI>
10.3390/M778

$$$$

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>  <MOL_ID>
molbank-2012-M778-s002-mod

>  <DOI>
10.3390/M778

$$$$

File : molbank-2012-M777-s001.mol

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>  <MOL_ID>
molbank-2012-M777-s001

>  <DOI>
10.3390/M777

$$$$

File : molbank-2012-M777-s001-mod.mol

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>  <MOL_ID>
molbank-2012-M777-s001-mod

>  <DOI>
10.3390/M777

$$$$

File : molbank-2012-M776-s001.mol

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>  <DOI>
10.3390/M776

$$$$

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>  <MOL_ID>
molbank-2012-M776-s001-mod

>  <DOI>
10.3390/M776

$$$$

File : molbank-2012-M775-s001.mol

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>  <MOL_ID>
molbank-2012-M775-s001

>  <DOI>
10.3390/M775

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M775

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>  <DOI>
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molbank-2012-M774-s001-mod

>  <DOI>
10.3390/M774

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>  <MOL_ID>
molbank-2012-M773-s001

>  <DOI>
10.3390/M773

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>  <MOL_ID>
molbank-2012-M773-s001-mod

>  <DOI>
10.3390/M773

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>  <MOL_ID>
molbank-2012-M772-s001

>  <DOI>
10.3390/M772

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>  <MOL_ID>
molbank-2012-M772-s001-mod

>  <DOI>
10.3390/M772

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>  <DOI>
10.3390/M771

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molbank-2012-M771-s001-mod

>  <DOI>
10.3390/M771

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>  <MOL_ID>
molbank-2012-M770-s001

>  <DOI>
10.3390/M770

$$$$

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>  <MOL_ID>
molbank-2012-M770-s001-mod

>  <DOI>
10.3390/M770

$$$$

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molbank-2012-M769-s001

>  <DOI>
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molbank-2012-M769-s001-mod

>  <DOI>
10.3390/M769

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molbank-2012-M768-s001

>  <DOI>
10.3390/M768

$$$$

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molbank-2012-M768-s001-mod

>  <DOI>
10.3390/M768

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>  <MOL_ID>
molbank-2012-M767-s001

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2012-M767-s001-mod

>  <DOI>
10.3390/M767

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>  <MOL_ID>
molbank-2012-M766-s001

>  <DOI>
10.3390/M766

$$$$

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molbank-2012-M766-s001-mod

>  <DOI>
10.3390/M766

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>  <MOL_ID>
molbank-2012-M765-s001

>  <DOI>
10.3390/M765

$$$$

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>  <MOL_ID>
molbank-2012-M765-s001-mod

>  <DOI>
10.3390/M765

$$$$

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>  <MOL_ID>
molbank-2012-M764-s001

>  <DOI>
10.3390/M764

$$$$

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>  <MOL_ID>
molbank-2012-M764-s001-mod

>  <DOI>
10.3390/M764

$$$$

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>  <MOL_ID>
molbank-2012-M763-s001

>  <DOI>
10.3390/M763

$$$$

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>  <MOL_ID>
molbank-2012-M763-s001-mod

>  <DOI>
10.3390/M763

$$$$

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>  <MOL_ID>
molbank-2012-M762-s001

>  <DOI>
10.3390/M762

$$$$

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>  <MOL_ID>
molbank-2012-M762-s001-mod

>  <DOI>
10.3390/M762

$$$$

File : molbank-2012-M761-s001.mol

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M  END
>  <MOL_ID>
molbank-2012-M761-s001

>  <DOI>
10.3390/M761

$$$$

File : molbank-2012-M761-s001-mod.mol

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M  SLB  1   1   1
M  SAL   1  8  22  23  24  25  26  27  28  29
M  SBL   1  1  24
M  SMT   1 OBn
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  8  30  31  32  33  34  35  36  37
M  SBL   2  1  33
M  SMT   2 OBn
M  SBV   2 33   -9.3994    9.1819
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  8  38  39  40  41  42  43  44  45
M  SBL   3  1  42
M  SMT   3 OBn
M  SBV   3 42   -9.4613    8.5250
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  8  46  47  48  49  50  51  52  53
M  SBL   4  1  51
M  SMT   4 OBn
M  SBV   4 51   -8.6070    9.4880
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  8  54  55  56  57  58  59  60  61
M  SBL   5  1  60
M  SMT   5 OBn
M  SBV   5 60   -9.4177    8.7200
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  8  62  63  64  65  66  67  68  69
M  SBL   6  1  69
M  SMT   6 OBn
M  SBV   6 69   -7.5676    8.7877
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  8  70  71  72  73  74  75  76  77
M  SBL   7  1  78
M  SMT   7 OBn
M  SBV   7 78   -7.5935    8.6948
M  STY  1   8 SUP
M  SLB  1   8   8
M  SAL   8  8  78  79  80  81  82  83  84  85
M  SBL   8  1  87
M  SMT   8 OBn
M  SBV   8 87   -8.5354    7.7983
M  END
>  <MOL_ID>
molbank-2012-M761-s001-mod

>  <DOI>
10.3390/M761

$$$$

File : molbank-2012-M760-s001.mol

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>  <MOL_ID>
molbank-2012-M760-s001

>  <DOI>
10.3390/M760

$$$$

File : molbank-2012-M760-s001-mod.mol

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>  <MOL_ID>
molbank-2012-M760-s001-mod

>  <DOI>
10.3390/M760

$$$$

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>  <MOL_ID>
molbank-2012-M759-s001

>  <DOI>
10.3390/M759

$$$$

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>  <MOL_ID>
molbank-2012-M759-s001-mod

>  <DOI>
10.3390/M759

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>  <MOL_ID>
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>  <DOI>
10.3390/M756

$$$$

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>  <MOL_ID>
molbank-2012-M755-s001

>  <DOI>
10.3390/M755

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M755

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>  <MOL_ID>
molbank-2012-M754-s001

>  <DOI>
10.3390/M754

$$$$

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>  <MOL_ID>
molbank-2012-M754-s001-mod

>  <DOI>
10.3390/M754

$$$$

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>  <MOL_ID>
molbank-2012-M753-s001

>  <DOI>
10.3390/M753

$$$$

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>  <MOL_ID>
molbank-2012-M753-s001-mod

>  <DOI>
10.3390/M753

$$$$

File : molbank-2012-M752-s001.mol

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>  <MOL_ID>
molbank-2012-M752-s001

>  <DOI>
10.3390/M752

$$$$

File : molbank-2012-M752-s001-mod.mol

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>  <MOL_ID>
molbank-2012-M752-s001-mod

>  <DOI>
10.3390/M752

$$$$

File : molbank-2012-M751-s001.mol

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M  END
>  <MOL_ID>
molbank-2012-M751-s001

>  <DOI>
10.3390/M751

$$$$

File : molbank-2012-M751-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2012-M751-s001-mod

>  <DOI>
10.3390/M751

$$$$

File : molbank-2012-M750-s001.mol

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>  <MOL_ID>
molbank-2012-M750-s001

>  <DOI>
10.3390/M750

$$$$

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>  <MOL_ID>
molbank-2012-M750-s001-mod

>  <DOI>
10.3390/M750

$$$$

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>  <MOL_ID>
molbank-2012-M749-s001

>  <DOI>
10.3390/M749

$$$$

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>  <MOL_ID>
molbank-2012-M749-s001-mod

>  <DOI>
10.3390/M749

$$$$

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>  <MOL_ID>
molbank-2012-M748-s001

>  <DOI>
10.3390/M748

$$$$

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>  <MOL_ID>
molbank-2012-M748-s001-mod

>  <DOI>
10.3390/M748

$$$$

File : molbank-2012-M747-s001.mol

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>  <MOL_ID>
molbank-2012-M747-s001

>  <DOI>
10.3390/M747

$$$$

File : molbank-2012-M747-s001-mod.mol

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>  <MOL_ID>
molbank-2012-M747-s001-mod

>  <DOI>
10.3390/M747

$$$$

File : molbank-2011-M746-s001.mol

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M  END
>  <MOL_ID>
molbank-2011-M746-s001

>  <DOI>
10.3390/M746

$$$$

File : molbank-2011-M746-s001-mod.mol

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>  <MOL_ID>
molbank-2011-M746-s001-mod

>  <DOI>
10.3390/M746

$$$$

File : molbank-2011-M745-s001.mol

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>  <MOL_ID>
molbank-2011-M745-s001

>  <DOI>
10.3390/M745

$$$$

File : molbank-2011-M745-s001-mod.mol

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>  <MOL_ID>
molbank-2011-M745-s001-mod

>  <DOI>
10.3390/M745

$$$$

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>  <MOL_ID>
molbank-2011-M744-s001

>  <DOI>
10.3390/M744

$$$$

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>  <MOL_ID>
molbank-2011-M744-s001-mod

>  <DOI>
10.3390/M744

$$$$

File : molbank-2011-M743-s001.mol

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>  <MOL_ID>
molbank-2011-M743-s001

>  <DOI>
10.3390/M743

$$$$

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>  <MOL_ID>
molbank-2011-M743-s001-mod

>  <DOI>
10.3390/M743

$$$$

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>  <MOL_ID>
molbank-2011-M742-s001

>  <DOI>
10.3390/M742

$$$$

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>  <MOL_ID>
molbank-2011-M742-s001-mod

>  <DOI>
10.3390/M742

$$$$

File : molbank-2011-M741-s001.mol

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M  END
>  <MOL_ID>
molbank-2011-M741-s001

>  <DOI>
10.3390/M741

$$$$

File : molbank-2011-M741-s001-mod.mol

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>  <MOL_ID>
molbank-2011-M741-s001-mod

>  <DOI>
10.3390/M741

$$$$

File : molbank-2011-M740-s001.mol

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M  END
>  <MOL_ID>
molbank-2011-M740-s001

>  <DOI>
10.3390/M740

$$$$

File : molbank-2011-M740-s001-mod.mol

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>  <MOL_ID>
molbank-2011-M740-s001-mod

>  <DOI>
10.3390/M740

$$$$

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>  <MOL_ID>
molbank-2011-M739-s001

>  <DOI>
10.3390/M739

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>  <MOL_ID>
molbank-2011-M739-s001-mod

>  <DOI>
10.3390/M739

$$$$

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>  <MOL_ID>
molbank-2011-M738-s001

>  <DOI>
10.3390/M738

$$$$

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molbank-2011-M738-s001-mod

>  <DOI>
10.3390/M738

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>  <DOI>
10.3390/M737

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>  <MOL_ID>
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>  <DOI>
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molbank-2011-M736-s001

>  <DOI>
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>  <MOL_ID>
molbank-2011-M736-s001-mod

>  <DOI>
10.3390/M736

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>  <MOL_ID>
molbank-2011-M735-s001

>  <DOI>
10.3390/M735

$$$$

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>  <MOL_ID>
molbank-2011-M735-s001-mod

>  <DOI>
10.3390/M735

$$$$

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>  <MOL_ID>
molbank-2011-M734-s001

>  <DOI>
10.3390/M734

$$$$

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>  <MOL_ID>
molbank-2011-M734-s001-mod

>  <DOI>
10.3390/M734

$$$$

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molbank-2011-M733-s001

>  <DOI>
10.3390/M733

$$$$

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molbank-2011-M733-s001-mod

>  <DOI>
10.3390/M733

$$$$

File : molbank-2011-M732-s001.mol

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>  <MOL_ID>
molbank-2011-M732-s001

>  <DOI>
10.3390/M732

$$$$

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>  <MOL_ID>
molbank-2011-M732-s001-mod

>  <DOI>
10.3390/M732

$$$$

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>  <MOL_ID>
molbank-2011-M731-s001

>  <DOI>
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>  <MOL_ID>
molbank-2011-M731-s001-mod

>  <DOI>
10.3390/M731

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>  <MOL_ID>
molbank-2011-M730-s001

>  <DOI>
10.3390/M730

$$$$

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>  <MOL_ID>
molbank-2011-M730-s001-mod

>  <DOI>
10.3390/M730

$$$$

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>  <MOL_ID>
molbank-2011-M729-s001

>  <DOI>
10.3390/M729

$$$$

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>  <MOL_ID>
molbank-2011-M729-s001-mod

>  <DOI>
10.3390/M729

$$$$

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>  <MOL_ID>
molbank-2011-M728-s001

>  <DOI>
10.3390/M728

$$$$

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>  <MOL_ID>
molbank-2011-M728-s001-mod

>  <DOI>
10.3390/M728

$$$$

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>  <MOL_ID>
molbank-2011-M727-s001

>  <DOI>
10.3390/M727

$$$$

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>  <MOL_ID>
molbank-2011-M727-s001-mod

>  <DOI>
10.3390/M727

$$$$

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>  <MOL_ID>
molbank-2011-M726-s001

>  <DOI>
10.3390/M726

$$$$

File : molbank-2011-M726-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2011-M726-s001-mod

>  <DOI>
10.3390/M726

$$$$

File : molbank-2011-M725-s001.mol

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>  <MOL_ID>
molbank-2011-M725-s001

>  <DOI>
10.3390/M725

$$$$

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>  <MOL_ID>
molbank-2011-M725-s001-mod

>  <DOI>
10.3390/M725

$$$$

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>  <MOL_ID>
molbank-2011-M724-s001

>  <DOI>
10.3390/M724

$$$$

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>  <MOL_ID>
molbank-2011-M724-s001-mod

>  <DOI>
10.3390/M724

$$$$

File : molbank-2011-M723-s001.mol

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>  <MOL_ID>
molbank-2011-M723-s001

>  <DOI>
10.3390/M723

$$$$

File : molbank-2011-M723-s001-mod.mol

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>  <MOL_ID>
molbank-2011-M723-s001-mod

>  <DOI>
10.3390/M723

$$$$

File : molbank-2011-M722-s001.mol

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>  <MOL_ID>
molbank-2011-M722-s001

>  <DOI>
10.3390/M722

$$$$

File : molbank-2011-M722-s001-mod.mol

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>  <MOL_ID>
molbank-2011-M722-s001-mod

>  <DOI>
10.3390/M722

$$$$

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>  <MOL_ID>
molbank-2011-M721-s003

>  <DOI>
10.3390/M721

$$$$

File : molbank-2011-M721-s003-mod.mol

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>  <MOL_ID>
molbank-2011-M721-s003-mod

>  <DOI>
10.3390/M721

$$$$

File : molbank-2011-M721-s002.mol

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>  <MOL_ID>
molbank-2011-M721-s002

>  <DOI>
10.3390/M721

$$$$

File : molbank-2011-M721-s002-mod.mol

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>  <MOL_ID>
molbank-2011-M721-s002-mod

>  <DOI>
10.3390/M721

$$$$

File : molbank-2011-M720-s001.mol

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>  <MOL_ID>
molbank-2011-M720-s001

>  <DOI>
10.3390/M720

$$$$

File : molbank-2011-M720-s001-mod.mol

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>  <MOL_ID>
molbank-2011-M720-s001-mod

>  <DOI>
10.3390/M720

$$$$

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>  <MOL_ID>
molbank-2011-M719-s001

>  <DOI>
10.3390/M719

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>  <MOL_ID>
molbank-2011-M719-s001-mod

>  <DOI>
10.3390/M719

$$$$

File : molbank-2011-M718-s001.mol

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>  <MOL_ID>
molbank-2011-M718-s001

>  <DOI>
10.3390/M718

$$$$

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>  <MOL_ID>
molbank-2011-M718-s001-mod

>  <DOI>
10.3390/M718

$$$$

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>  <MOL_ID>
molbank-2011-M717-s001

>  <DOI>
10.3390/M717

$$$$

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>  <MOL_ID>
molbank-2011-M717-s001-mod

>  <DOI>
10.3390/M717

$$$$

File : molbank-2011-M716-s001.mol

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>  <MOL_ID>
molbank-2011-M716-s001

>  <DOI>
10.3390/M716

$$$$

File : molbank-2011-M716-s001-mod.mol

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>  <MOL_ID>
molbank-2011-M716-s001-mod

>  <DOI>
10.3390/M716

$$$$

File : molbank-2011-M715-s001.mol

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>  <MOL_ID>
molbank-2011-M715-s001

>  <DOI>
10.3390/M715

$$$$

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>  <MOL_ID>
molbank-2011-M715-s001-mod

>  <DOI>
10.3390/M715

$$$$

File : molbank-2011-M714-s001.mol

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>  <MOL_ID>
molbank-2011-M714-s001

>  <DOI>
10.3390/M714

$$$$

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>  <MOL_ID>
molbank-2011-M714-s001-mod

>  <DOI>
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>  <MOL_ID>
molbank-2011-M713-s001

>  <DOI>
10.3390/M713

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>  <MOL_ID>
molbank-2011-M713-s001-mod

>  <DOI>
10.3390/M713

$$$$

File : molbank-2011-M712-s001.mol

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>  <MOL_ID>
molbank-2011-M712-s001

>  <DOI>
10.3390/M712

$$$$

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>  <MOL_ID>
molbank-2011-M712-s001-mod

>  <DOI>
10.3390/M712

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File : molbank-2011-M711-s001.mol

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>  <MOL_ID>
molbank-2011-M711-s001

>  <DOI>
10.3390/M711

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File : molbank-2011-M711-s001-mod.mol

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>  <MOL_ID>
molbank-2011-M711-s001-mod

>  <DOI>
10.3390/M711

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molbank-2010-M710-s001

>  <DOI>
10.3390/M710

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>  <MOL_ID>
molbank-2010-M710-s001-mod

>  <DOI>
10.3390/M710

$$$$

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>  <MOL_ID>
molbank-2010-M709-s001

>  <DOI>
10.3390/M709

$$$$

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>  <MOL_ID>
molbank-2010-M709-s001-mod

>  <DOI>
10.3390/M709

$$$$

File : molbank-2010-M708-s001.mol

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>  <MOL_ID>
molbank-2010-M708-s001

>  <DOI>
10.3390/M708

$$$$

File : molbank-2010-M708-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M708-s001-mod

>  <DOI>
10.3390/M708

$$$$

File : molbank-2010-M707-s002.mol

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>  <MOL_ID>
molbank-2010-M707-s002

>  <DOI>
10.3390/M707

$$$$

File : molbank-2010-M707-s002-mod.mol

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>  <MOL_ID>
molbank-2010-M707-s002-mod

>  <DOI>
10.3390/M707

$$$$

File : molbank-2010-M706-s001.mol

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>  <MOL_ID>
molbank-2010-M706-s001

>  <DOI>
10.3390/M706

$$$$

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>  <MOL_ID>
molbank-2010-M706-s001-mod

>  <DOI>
10.3390/M706

$$$$

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>  <MOL_ID>
molbank-2010-M705-s001

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2010-M705-s001-mod

>  <DOI>
10.3390/M705

$$$$

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M  CHG  4  50   1  52   1  54   1  71   1
M  END
>  <MOL_ID>
molbank-2010-M704-s001

>  <DOI>
10.3390/M704

$$$$

File : molbank-2010-M704-s001-mod.mol

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M  CHG  4  50   1  52   1  54   1  71   1
M  END
>  <MOL_ID>
molbank-2010-M704-s001-mod

>  <DOI>
10.3390/M704

$$$$

File : molbank-2010-M703-s001.mol

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>  <MOL_ID>
molbank-2010-M703-s001

>  <DOI>
10.3390/M703

$$$$

File : molbank-2010-M703-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M703-s001-mod

>  <DOI>
10.3390/M703

$$$$

File : molbank-2010-M702-s001.mol

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>  <MOL_ID>
molbank-2010-M702-s001

>  <DOI>
10.3390/M702

$$$$

File : molbank-2010-M702-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M702-s001-mod

>  <DOI>
10.3390/M702

$$$$

File : molbank-2010-M701-s001.mol

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>  <MOL_ID>
molbank-2010-M701-s001

>  <DOI>
10.3390/M701

$$$$

File : molbank-2010-M701-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M701-s001-mod

>  <DOI>
10.3390/M701

$$$$

File : molbank-2010-M700-s001.mol

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>  <MOL_ID>
molbank-2010-M700-s001

>  <DOI>
10.3390/M700

$$$$

File : molbank-2010-M700-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M700-s001-mod

>  <DOI>
10.3390/M700

$$$$

File : molbank-2010-M699-s001.mol

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>  <MOL_ID>
molbank-2010-M699-s001

>  <DOI>
10.3390/M699

$$$$

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>  <MOL_ID>
molbank-2010-M699-s001-mod

>  <DOI>
10.3390/M699

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File : molbank-2010-M698-s001.mol

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>  <MOL_ID>
molbank-2010-M698-s001

>  <DOI>
10.3390/M698

$$$$

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>  <MOL_ID>
molbank-2010-M698-s001-mod

>  <DOI>
10.3390/M698

$$$$

File : molbank-2010-M697-s001.mol

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>  <MOL_ID>
molbank-2010-M697-s001

>  <DOI>
10.3390/M697

$$$$

File : molbank-2010-M697-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M697-s001-mod

>  <DOI>
10.3390/M697

$$$$

File : molbank-2010-M696-s001.mol

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M  END
>  <MOL_ID>
molbank-2010-M696-s001

>  <DOI>
10.3390/M696

$$$$

File : molbank-2010-M696-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M696-s001-mod

>  <DOI>
10.3390/M696

$$$$

File : molbank-2010-M695-s001.mol

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>  <MOL_ID>
molbank-2010-M695-s001

>  <DOI>
10.3390/M695

$$$$

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>  <MOL_ID>
molbank-2010-M695-s001-mod

>  <DOI>
10.3390/M695

$$$$

File : molbank-2010-M694-s001.mol

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>  <MOL_ID>
molbank-2010-M694-s001

>  <DOI>
10.3390/M694

$$$$

File : molbank-2010-M694-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M694-s001-mod

>  <DOI>
10.3390/M694

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>  <MOL_ID>
molbank-2010-M693-s001

>  <DOI>
10.3390/M693

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molbank-2010-M693-s001-mod

>  <DOI>
10.3390/M693

$$$$

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>  <MOL_ID>
molbank-2010-M692-s001

>  <DOI>
10.3390/M692

$$$$

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>  <MOL_ID>
molbank-2010-M692-s001-mod

>  <DOI>
10.3390/M692

$$$$

File : molbank-2010-M691-s001.mol

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>  <MOL_ID>
molbank-2010-M691-s001

>  <DOI>
10.3390/M691

$$$$

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>  <DOI>
10.3390/M691

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molbank-2010-M690-s001

>  <DOI>
10.3390/M690

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>  <MOL_ID>
molbank-2010-M690-s001-mod

>  <DOI>
10.3390/M690

$$$$

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>  <MOL_ID>
molbank-2010-M689-s002

>  <DOI>
10.3390/M689

$$$$

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>  <MOL_ID>
molbank-2010-M689-s002-mod

>  <DOI>
10.3390/M689

$$$$

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>  <MOL_ID>
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>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2010-M688-s002-mod

>  <DOI>
10.3390/M688

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File : molbank-2010-M687-s001.mol

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>  <DOI>
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>  <MOL_ID>
molbank-2010-M687-s001-mod

>  <DOI>
10.3390/M687

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>  <MOL_ID>
molbank-2010-M686-s001

>  <DOI>
10.3390/M686

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>  <MOL_ID>
molbank-2010-M686-s001-mod

>  <DOI>
10.3390/M686

$$$$

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>  <MOL_ID>
molbank-2010-M685-s002

>  <DOI>
10.3390/M685

$$$$

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>  <MOL_ID>
molbank-2010-M685-s002-mod

>  <DOI>
10.3390/M685

$$$$

File : molbank-2010-M685-s001.mol

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>  <MOL_ID>
molbank-2010-M685-s001

>  <DOI>
10.3390/M685

$$$$

File : molbank-2010-M685-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M685-s001-mod

>  <DOI>
10.3390/M685

$$$$

File : molbank-2010-M684-s001.mol

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>  <MOL_ID>
molbank-2010-M684-s001

>  <DOI>
10.3390/M684

$$$$

File : molbank-2010-M684-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M684-s001-mod

>  <DOI>
10.3390/M684

$$$$

File : molbank-2010-M683-s001.mol

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>  <MOL_ID>
molbank-2010-M683-s001

>  <DOI>
10.3390/M683

$$$$

File : molbank-2010-M683-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M683-s001-mod

>  <DOI>
10.3390/M683

$$$$

File : molbank-2010-M682-s001.mol

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>  <MOL_ID>
molbank-2010-M682-s001

>  <DOI>
10.3390/M682

$$$$

File : molbank-2010-M682-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M682-s001-mod

>  <DOI>
10.3390/M682

$$$$

File : molbank-2010-M681-s001.mol

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>  <MOL_ID>
molbank-2010-M681-s001

>  <DOI>
10.3390/M681

$$$$

File : molbank-2010-M681-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M681-s001-mod

>  <DOI>
10.3390/M681

$$$$

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>  <MOL_ID>
molbank-2010-M680-s001

>  <DOI>
10.3390/M680

$$$$

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>  <MOL_ID>
molbank-2010-M680-s001-mod

>  <DOI>
10.3390/M680

$$$$

File : molbank-2010-M679-s001.mol

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>  <MOL_ID>
molbank-2010-M679-s001

>  <DOI>
10.3390/M679

$$$$

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10.3390/M679

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File : molbank-2010-M678-s001.mol

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File : molbank-2010-M677-s001.mol

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 98 97  2  0  0  0  0
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 93 99  2  0  0  0  0
101100  2  0  0  0  0
102 93  1  0  0  0  0
103101  1  0  0  0  0
103102  2  0  0  0  0
 63104  1  0  0  0  0
104105  2  0  0  0  0
105106  1  0  0  0  0
106107  1  0  0  0  0
108107  2  0  0  0  0
109106  2  0  0  0  0
110108  1  0  0  0  0
110109  1  0  0  0  0
107111  1  0  0  0  0
110112  1  0  0  0  0
114113  1  0  0  0  0
115113  2  0  0  0  0
116114  2  0  0  0  0
112115  1  0  0  0  0
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117112  2  0  0  0  0
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111118  2  0  0  0  0
120119  2  0  0  0  0
121111  1  0  0  0  0
122120  1  0  0  0  0
122121  2  0  0  0  0
A   27
Cu, KOH, 1,10-phenanthroline
A   28
Tris-(4-bromophenyl)amine
M  END
>  <MOL_ID>
molbank-2010-M677-s001

>  <DOI>
10.3390/M677

$$$$

File : molbank-2010-M677-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M677-s001-mod

>  <DOI>
10.3390/M677

$$$$

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>  <MOL_ID>
molbank-2010-M676-s001

>  <DOI>
10.3390/M676

$$$$

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>  <MOL_ID>
molbank-2010-M676-s001-mod

>  <DOI>
10.3390/M676

$$$$

File : molbank-2010-M675-s001.mol

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>  <MOL_ID>
molbank-2010-M675-s001

>  <DOI>
10.3390/M675

$$$$

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>  <MOL_ID>
molbank-2010-M675-s001-mod

>  <DOI>
10.3390/M675

$$$$

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>  <MOL_ID>
molbank-2010-M674-s001

>  <DOI>
10.3390/M674

$$$$

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>  <MOL_ID>
molbank-2010-M674-s001-mod

>  <DOI>
10.3390/M674

$$$$

File : molbank-2010-M673-s001.mol

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>  <MOL_ID>
molbank-2010-M673-s001

>  <DOI>
10.3390/M673

$$$$

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>  <MOL_ID>
molbank-2010-M673-s001-mod

>  <DOI>
10.3390/M673

$$$$

File : molbank-2010-M672-s001.mol

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>  <MOL_ID>
molbank-2010-M672-s001

>  <DOI>
10.3390/M672

$$$$

File : molbank-2010-M672-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M672-s001-mod

>  <DOI>
10.3390/M672

$$$$

File : molbank-2010-M671-s001.mol

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>  <DOI>
10.3390/M671

$$$$

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>  <MOL_ID>
molbank-2010-M671-s001-mod

>  <DOI>
10.3390/M671

$$$$

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>  <MOL_ID>
molbank-2010-M670-s001

>  <DOI>
10.3390/M670

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molbank-2010-M670-s001-mod

>  <DOI>
10.3390/M670

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>  <MOL_ID>
molbank-2010-M669-s001

>  <DOI>
10.3390/M669

$$$$

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>  <MOL_ID>
molbank-2010-M669-s001-mod

>  <DOI>
10.3390/M669

$$$$

File : molbank-2010-M668-s001.mol

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>  <MOL_ID>
molbank-2010-M668-s001

>  <DOI>
10.3390/M668

$$$$

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>  <MOL_ID>
molbank-2010-M668-s001-mod

>  <DOI>
10.3390/M668

$$$$

File : molbank-2010-M667-s001.mol

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molbank-2010-M667-s001

>  <DOI>
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molbank-2010-M667-s001-mod

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10.3390/M667

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molbank-2010-M666-s001

>  <DOI>
10.3390/M666

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>  <MOL_ID>
molbank-2010-M666-s001-mod

>  <DOI>
10.3390/M666

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>  <MOL_ID>
molbank-2010-M665-s001

>  <DOI>
10.3390/M665

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>  <MOL_ID>
molbank-2010-M665-s001-mod

>  <DOI>
10.3390/M665

$$$$

File : molbank-2010-M664-s001.mol

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>  <MOL_ID>
molbank-2010-M664-s001

>  <DOI>
10.3390/M664

$$$$

File : molbank-2010-M664-s001-mod.mol

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>  <MOL_ID>
molbank-2010-M664-s001-mod

>  <DOI>
10.3390/M664

$$$$

File : molbank-2010-M663-s001.mol

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>  <MOL_ID>
molbank-2010-M663-s001

>  <DOI>
10.3390/M663

$$$$

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>  <MOL_ID>
molbank-2010-M663-s001-mod

>  <DOI>
10.3390/M663

$$$$

File : molbank-2010-M662-s002.mol

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>  <MOL_ID>
molbank-2010-M662-s002

>  <DOI>
10.3390/M662

$$$$

File : molbank-2010-M662-s002-mod.mol

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>  <MOL_ID>
molbank-2010-M662-s002-mod

>  <DOI>
10.3390/M662

$$$$

File : molbank-2010-M661-s001.mol

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molbank-2010-M661-s001

>  <DOI>
10.3390/M661

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>  <MOL_ID>
molbank-2010-M661-s001-mod

>  <DOI>
10.3390/M661

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>  <MOL_ID>
molbank-2010-M660-s001

>  <DOI>
10.3390/M660

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>  <MOL_ID>
molbank-2010-M660-s001-mod

>  <DOI>
10.3390/M660

$$$$

File : molbank-2010-M659-s001.mol

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M  END
>  <MOL_ID>
molbank-2010-M656-s001

>  <DOI>
10.3390/M656

$$$$

File : molbank-2010-M656-s001-mod.mol

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10.3390/M656

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>  <MOL_ID>
molbank-2010-M655-s002

>  <DOI>
10.3390/M655

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>  <MOL_ID>
molbank-2010-M655-s002-mod

>  <DOI>
10.3390/M655

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>  <MOL_ID>
molbank-2010-M654-s001

>  <DOI>
10.3390/M654

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molbank-2010-M654-s001-mod

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>  <DOI>
10.3390/M653

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molbank-2010-M653-s001-mod

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10.3390/M653

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molbank-2010-M652-s001

>  <DOI>
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molbank-2010-M652-s001-mod

>  <DOI>
10.3390/M652

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molbank-2010-M651-s001

>  <DOI>
10.3390/M651

$$$$

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molbank-2010-M650-s001

>  <DOI>
10.3390/M650

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>  <MOL_ID>
molbank-2010-M650-s001-mod

>  <DOI>
10.3390/M650

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>  <MOL_ID>
molbank-2010-M649-s001

>  <DOI>
10.3390/M649

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>  <MOL_ID>
molbank-2010-M649-s001-mod

>  <DOI>
10.3390/M649

$$$$

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>  <MOL_ID>
molbank-2010-M648-s001

>  <DOI>
10.3390/M648

$$$$

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>  <MOL_ID>
molbank-2010-M648-s001-mod

>  <DOI>
10.3390/M648

$$$$

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>  <MOL_ID>
molbank-2010-M647-s002

>  <DOI>
10.3390/M647

$$$$

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>  <MOL_ID>
molbank-2010-M647-s002-mod

>  <DOI>
10.3390/M647

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molbank-2009-M646-s001

>  <DOI>
10.3390/M646

$$$$

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>  <MOL_ID>
molbank-2009-M646-s001-mod

>  <DOI>
10.3390/M646

$$$$

File : molbank-2009-M645-s001.mol

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>  <MOL_ID>
molbank-2009-M645-s001

>  <DOI>
10.3390/M645

$$$$

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molbank-2009-M645-s001-mod

>  <DOI>
10.3390/M645

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>  <DOI>
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>  <DOI>
10.3390/M644

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>  <MOL_ID>
molbank-2009-M643-s001

>  <DOI>
10.3390/M643

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>  <MOL_ID>
molbank-2009-M643-s001-mod

>  <DOI>
10.3390/M643

$$$$

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>  <MOL_ID>
molbank-2006-M521-s001

>  <DOI>
10.3390/M521

$$$$

File : molbank-2006-M521-s001-mod.mol

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>  <MOL_ID>
molbank-2006-M521-s001-mod

>  <DOI>
10.3390/M521

$$$$

File : molbank-2006-M520-s002.mol

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>  <MOL_ID>
molbank-2006-M520-s002

>  <DOI>
10.3390/M520

$$$$

File : molbank-2006-M520-s002-mod.mol

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>  <MOL_ID>
molbank-2006-M520-s002-mod

>  <DOI>
10.3390/M520

$$$$

File : molbank-2006-M520-s001.mol

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>  <DOI>
10.3390/M520

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10.3390/M520

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>  <MOL_ID>
molbank-2006-M519-s001

>  <DOI>
10.3390/M519

$$$$

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>  <MOL_ID>
molbank-2006-M519-s001-mod

>  <DOI>
10.3390/M519

$$$$

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>  <DOI>
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>  <MOL_ID>
molbank-2006-M516-s001

>  <DOI>
10.3390/M516

$$$$

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>  <MOL_ID>
molbank-2006-M516-s001-mod

>  <DOI>
10.3390/M516

$$$$

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>  <MOL_ID>
molbank-2006-M515-s001

>  <DOI>
10.3390/M515

$$$$

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>  <MOL_ID>
molbank-2006-M515-s001-mod

>  <DOI>
10.3390/M515

$$$$

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>  <MOL_ID>
molbank-2006-M514-s001

>  <DOI>
10.3390/M514

$$$$

File : molbank-2006-M514-s001-mod.mol

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>  <DOI>
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>  <MOL_ID>
molbank-2006-M512-s001

>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2006-M512-s001-mod

>  <DOI>
10.3390/M512

$$$$

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molbank-2006-M511-s001

>  <DOI>
10.3390/M511

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>  <MOL_ID>
molbank-2006-M511-s001-mod

>  <DOI>
10.3390/M511

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>  <DOI>
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>  <MOL_ID>
molbank-2006-M510-s001-mod

>  <DOI>
10.3390/M510

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>  <MOL_ID>
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>  <DOI>
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>  <MOL_ID>
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>  <DOI>
10.3390/M509

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molbank-2006-M508-s001

>  <DOI>
10.3390/M508

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molbank-2006-M508-s001-mod

>  <DOI>
10.3390/M508

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molbank-2006-M507-s001

>  <DOI>
10.3390/M507

$$$$

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>  <MOL_ID>
molbank-2006-M507-s001-mod

>  <DOI>
10.3390/M507

$$$$

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>  <MOL_ID>
molbank-2006-M506-s001

>  <DOI>
10.3390/M506

$$$$

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>  <DOI>
10.3390/M506

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>  <MOL_ID>
molbank-2006-M505-s001

>  <DOI>
10.3390/M505

$$$$

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>  <MOL_ID>
molbank-2006-M505-s001-mod

>  <DOI>
10.3390/M505

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>  <MOL_ID>
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>  <DOI>
10.3390/M504

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>  <DOI>
10.3390/M502

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molbank-2006-M501-s001-mod

>  <DOI>
10.3390/M501

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molbank-2006-M500-s001

>  <DOI>
10.3390/M500

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molbank-2006-M500-s001-mod

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10.3390/M500

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molbank-2006-M499-s002

>  <DOI>
10.3390/M499

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>  <MOL_ID>
molbank-2006-M499-s002-mod

>  <DOI>
10.3390/M499

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>  <MOL_ID>
molbank-2006-M499-s001

>  <DOI>
10.3390/M499

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>  <DOI>
10.3390/M497

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10.3390/M497

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>  <DOI>
10.3390/M497

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molbank-2006-M497-s001-mod

>  <DOI>
10.3390/M497

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molbank-2006-M496-s001

>  <DOI>
10.3390/M496

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10.3390/M496

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>  <DOI>
10.3390/M495

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molbank-2006-M495-s001-mod

>  <DOI>
10.3390/M495

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>  <MOL_ID>
molbank-2006-M494-s001

>  <DOI>
10.3390/M494

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>  <MOL_ID>
molbank-2006-M494-s001-mod

>  <DOI>
10.3390/M494

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>  <MOL_ID>
molbank-2006-M493-s002

>  <DOI>
10.3390/M493

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>  <MOL_ID>
molbank-2006-M493-s002-mod

>  <DOI>
10.3390/M493

$$$$

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>  <MOL_ID>
molbank-2006-M493-s001

>  <DOI>
10.3390/M493

$$$$

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>  <DOI>
10.3390/M493

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>  <MOL_ID>
molbank-2006-M492-s001

>  <DOI>
10.3390/M492

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>  <MOL_ID>
molbank-2006-M492-s001-mod

>  <DOI>
10.3390/M492

$$$$

File : molbank-2006-M491-s001.mol

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>  <MOL_ID>
molbank-2006-M491-s001

>  <DOI>
10.3390/M491

$$$$

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>  <MOL_ID>
molbank-2006-M491-s001-mod

>  <DOI>
10.3390/M491

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>  <MOL_ID>
molbank-2006-M490-s001

>  <DOI>
10.3390/M490

$$$$

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>  <MOL_ID>
molbank-2006-M490-s001-mod

>  <DOI>
10.3390/M490

$$$$

File : molbank-2006-M489-s001.mol

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>  <MOL_ID>
molbank-2006-M489-s001

>  <DOI>
10.3390/M489

$$$$

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>  <MOL_ID>
molbank-2006-M489-s001-mod

>  <DOI>
10.3390/M489

$$$$

File : molbank-2006-M488-s001.mol

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>  <MOL_ID>
molbank-2006-M488-s001

>  <DOI>
10.3390/M488

$$$$

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>  <MOL_ID>
molbank-2006-M488-s001-mod

>  <DOI>
10.3390/M488

$$$$

File : molbank-2006-M487-s001.mol

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>  <MOL_ID>
molbank-2006-M487-s001

>  <DOI>
10.3390/M487

$$$$

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>  <MOL_ID>
molbank-2006-M487-s001-mod

>  <DOI>
10.3390/M487

$$$$

File : molbank-2009-M642-s001.mol

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>  <MOL_ID>
molbank-2009-M642-s001

>  <DOI>
10.3390/M642

$$$$

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>  <DOI>
10.3390/M640

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molbank-2009-M639-s001

>  <DOI>
10.3390/M639

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molbank-2009-M639-s001-mod

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10.3390/M639

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>  <DOI>
10.3390/M638

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M  END
>  <MOL_ID>
molbank-2009-M637-s001

>  <DOI>
10.3390/M637

$$$$

File : molbank-2009-M637-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2009-M637-s001-mod

>  <DOI>
10.3390/M637

$$$$

File : molbank-2009-M636-s001.mol

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>  <MOL_ID>
molbank-2009-M636-s001

>  <DOI>
10.3390/M636

$$$$

File : molbank-2009-M636-s001-mod.mol

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>  <MOL_ID>
molbank-2009-M636-s001-mod

>  <DOI>
10.3390/M636

$$$$

File : molbank-2009-M635-s001.mol

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>  <MOL_ID>
molbank-2009-M635-s001

>  <DOI>
10.3390/M635

$$$$

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>  <MOL_ID>
molbank-2009-M635-s001-mod

>  <DOI>
10.3390/M635

$$$$

File : molbank-2009-M634-s001.mol

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>  <MOL_ID>
molbank-2009-M634-s001

>  <DOI>
10.3390/M634

$$$$

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>  <MOL_ID>
molbank-2009-M634-s001-mod

>  <DOI>
10.3390/M634

$$$$

File : molbank-2009-M633-s001.mol

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>  <MOL_ID>
molbank-2009-M633-s001

>  <DOI>
10.3390/M633

$$$$

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>  <MOL_ID>
molbank-2009-M633-s001-mod

>  <DOI>
10.3390/M633

$$$$

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>  <MOL_ID>
molbank-2009-M632-s001

>  <DOI>
10.3390/M632

$$$$

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>  <MOL_ID>
molbank-2009-M632-s001-mod

>  <DOI>
10.3390/M632

$$$$

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>  <MOL_ID>
molbank-2009-M631-s001

>  <DOI>
10.3390/M631

$$$$

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>  <MOL_ID>
molbank-2009-M631-s001-mod

>  <DOI>
10.3390/M631

$$$$

File : molbank-2009-M630-s001.mol

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>  <MOL_ID>
molbank-2009-M630-s001

>  <DOI>
10.3390/M630

$$$$

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molbank-2009-M630-s001-mod

>  <DOI>
10.3390/M630

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>  <MOL_ID>
molbank-2009-M629-s001

>  <DOI>
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>  <MOL_ID>
molbank-2009-M629-s001-mod

>  <DOI>
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>  <MOL_ID>
molbank-2009-M628-s001

>  <DOI>
10.3390/M628

$$$$

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>  <MOL_ID>
molbank-2009-M628-s001-mod

>  <DOI>
10.3390/M628

$$$$

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>  <DOI>
10.3390/M627

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molbank-2009-M626-s002

>  <DOI>
10.3390/M626

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>  <DOI>
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M  END
>  <MOL_ID>
molbank-2009-M624-s001

>  <DOI>
10.3390/M624

$$$$

File : molbank-2009-M624-s001-mod.mol

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molbank-2009-M623-s001-mod

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molbank-2009-M622-s001

>  <DOI>
10.3390/M622

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>  <MOL_ID>
molbank-2009-M622-s001-mod

>  <DOI>
10.3390/M622

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__________ Information from ESET NOD32 Antivirus, version of virus signature database 4391 (20090903) __________
The message was checked by ESET NOD32 Antivirus.
http://www.eset.com
>  <MOL_ID>
molbank-2009-M619-s002

>  <DOI>
10.3390/M619

$$$$

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__________ Information from ESET NOD32 Antivirus, version of virus signature database 4391 (20090903) __________
The message was checked by ESET NOD32 Antivirus.
http://www.eset.com
>  <MOL_ID>
molbank-2009-M619-s002-mod

>  <DOI>
10.3390/M619

$$$$

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__________ Information from ESET NOD32 Antivirus, version of virus signature database 4391 (20090903) __________
The message was checked by ESET NOD32 Antivirus.
http://www.eset.com
>  <MOL_ID>
molbank-2009-M619-s001

>  <DOI>
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__________ Information from ESET NOD32 Antivirus, version of virus signature database 4391 (20090903) __________
The message was checked by ESET NOD32 Antivirus.
http://www.eset.com
>  <MOL_ID>
molbank-2009-M619-s001-mod

>  <DOI>
10.3390/M619

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>  <MOL_ID>
molbank-2009-M617-s001

>  <DOI>
10.3390/M617

$$$$

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>  <MOL_ID>
molbank-2009-M617-s001-mod

>  <DOI>
10.3390/M617

$$$$

File : molbank-2009-M616-s001.mol

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>  <MOL_ID>
molbank-2009-M616-s001

>  <DOI>
10.3390/M616

$$$$

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>  <DOI>
10.3390/M616

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>  <MOL_ID>
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>  <DOI>
10.3390/M615

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molbank-2009-M615-s001-mod

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molbank-2009-M614-s001

>  <DOI>
10.3390/M614

$$$$

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>  <MOL_ID>
molbank-2009-M614-s001-mod

>  <DOI>
10.3390/M614

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molbank-2009-M613-s001

>  <DOI>
10.3390/M613

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>  <DOI>
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>  <DOI>
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molbank-2009-M610-s001-mod

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>  <MOL_ID>
molbank-2009-M608-s001

>  <DOI>
10.3390/M608

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molbank-2009-M608-s001-mod

>  <DOI>
10.3390/M608

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>  <MOL_ID>
molbank-2009-M607-s001

>  <DOI>
10.3390/M607

$$$$

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>  <MOL_ID>
molbank-2009-M607-s001-mod

>  <DOI>
10.3390/M607

$$$$

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>  <MOL_ID>
molbank-2009-M606-s001

>  <DOI>
10.3390/M606

$$$$

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>  <MOL_ID>
molbank-2009-M606-s001-mod

>  <DOI>
10.3390/M606

$$$$

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>  <MOL_ID>
molbank-2009-M605-s001

>  <DOI>
10.3390/M605

$$$$

File : molbank-2009-M605-s001-mod.mol

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>  <MOL_ID>
molbank-2009-M605-s001-mod

>  <DOI>
10.3390/M605

$$$$

File : molbank-2009-M604-s001.mol

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>  <MOL_ID>
molbank-2009-M604-s001

>  <DOI>
10.3390/M604

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M604

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>  <MOL_ID>
molbank-2009-M603-s001

>  <DOI>
10.3390/M603

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>  <MOL_ID>
molbank-2009-M603-s001-mod

>  <DOI>
10.3390/M603

$$$$

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>  <MOL_ID>
molbank-2009-M602-s001

>  <DOI>
10.3390/M602

$$$$

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>  <MOL_ID>
molbank-2009-M602-s001-mod

>  <DOI>
10.3390/M602

$$$$

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>  <MOL_ID>
molbank-2009-M601-s001

>  <DOI>
10.3390/M601

$$$$

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>  <MOL_ID>
molbank-2009-M601-s001-mod

>  <DOI>
10.3390/M601

$$$$

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>  <MOL_ID>
molbank-2009-M600-s006

>  <DOI>
10.3390/M600

$$$$

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>  <MOL_ID>
molbank-2009-M600-s006-mod

>  <DOI>
10.3390/M600

$$$$

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>  <MOL_ID>
molbank-2009-M600-s005

>  <DOI>
10.3390/M600

$$$$

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>  <MOL_ID>
molbank-2009-M600-s005-mod

>  <DOI>
10.3390/M600

$$$$

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>  <DOI>
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>  <MOL_ID>
molbank-2009-M599-s001-mod

>  <DOI>
10.3390/M599

$$$$

File : molbank-2003-M351-s001.mol

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>  <MOL_ID>
molbank-2003-M351-s001

>  <DOI>
10.3390/M351

$$$$

File : molbank-2003-M351-s001-mod.mol

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>  <MOL_ID>
molbank-2003-M351-s001-mod

>  <DOI>
10.3390/M351

$$$$

File : molbank-2003-M325-s001.mol

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>  <MOL_ID>
molbank-2003-M325-s001

>  <DOI>
10.3390/M325

$$$$

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>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2003-M303-s001

>  <DOI>
10.3390/M303

$$$$

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>  <MOL_ID>
molbank-2003-M303-s001-mod

>  <DOI>
10.3390/M303

$$$$

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>  <MOL_ID>
molbank-2002-M297-s001

>  <DOI>
10.3390/M297

$$$$

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>  <MOL_ID>
molbank-2002-M297-s001-mod

>  <DOI>
10.3390/M297

$$$$

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molbank-2002-M292-s001

>  <DOI>
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molbank-2002-M292-s001-mod

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molbank-2002-M291-s001

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10.3390/M291

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molbank-2002-M291-s001-mod

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10.3390/M291

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>  <MOL_ID>
molbank-2003-M350-s001

>  <DOI>
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>  <MOL_ID>
molbank-2003-M350-s001-mod

>  <DOI>
10.3390/M350

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molbank-2002-M290-s001

>  <DOI>
10.3390/M290

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>  <MOL_ID>
molbank-2002-M290-s001-mod

>  <DOI>
10.3390/M290

$$$$

File : molbank-2003-M349-s001.mol

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>  <MOL_ID>
molbank-2003-M349-s001

>  <DOI>
10.3390/M349

$$$$

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>  <MOL_ID>
molbank-2003-M349-s001-mod

>  <DOI>
10.3390/M349

$$$$

File : molbank-2002-M289-s001.mol

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>  <MOL_ID>
molbank-2002-M289-s001

>  <DOI>
10.3390/M289

$$$$

File : molbank-2002-M289-s001-mod.mol

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>  <MOL_ID>
molbank-2002-M289-s001-mod

>  <DOI>
10.3390/M289

$$$$

File : molbank-2002-M288-s001.mol

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>  <MOL_ID>
molbank-2002-M288-s001

>  <DOI>
10.3390/M288

$$$$

File : molbank-2002-M288-s001-mod.mol

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molbank-2002-M288-s001-mod

>  <DOI>
10.3390/M288

$$$$

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>  <MOL_ID>
molbank-2002-M287-s005

>  <DOI>
10.3390/M287

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>  <MOL_ID>
molbank-2002-M287-s005-mod

>  <DOI>
10.3390/M287

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>  <MOL_ID>
molbank-2002-M286-s001

>  <DOI>
10.3390/M286

$$$$

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>  <MOL_ID>
molbank-2002-M286-s001-mod

>  <DOI>
10.3390/M286

$$$$

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>  <MOL_ID>
molbank-2002-M285-s001

>  <DOI>
10.3390/M285

$$$$

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>  <MOL_ID>
molbank-2002-M285-s001-mod

>  <DOI>
10.3390/M285

$$$$

File : molbank-2003-M346-s001.mol

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>  <MOL_ID>
molbank-2003-M346-s001

>  <DOI>
10.3390/M346

$$$$

File : molbank-2003-M346-s001-mod.mol

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>  <MOL_ID>
molbank-2003-M346-s001-mod

>  <DOI>
10.3390/M346

$$$$

File : molbank-2002-M284-s001.mol

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>  <MOL_ID>
molbank-2002-M284-s001

>  <DOI>
10.3390/M284

$$$$

File : molbank-2002-M284-s001-mod.mol

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>  <MOL_ID>
molbank-2002-M284-s001-mod

>  <DOI>
10.3390/M284

$$$$

File : molbank-2002-M283-s001.mol

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>  <MOL_ID>
molbank-2002-M283-s001

>  <DOI>
10.3390/M283

$$$$

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>  <MOL_ID>
molbank-2002-M283-s001-mod

>  <DOI>
10.3390/M283

$$$$

File : molbank-2002-M282-s001.mol

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molbank-2002-M282-s001-mod

>  <DOI>
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molbank-2003-M345-s001

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molbank-2003-M345-s001-mod

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>  <MOL_ID>
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>  <DOI>
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molbank-2002-M281-s001-mod

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10.3390/M281

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molbank-2003-M344-s001

>  <DOI>
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molbank-2003-M344-s001-mod

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10.3390/M344

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molbank-2002-M280-s001

>  <DOI>
10.3390/M280

$$$$

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>  <MOL_ID>
molbank-2002-M280-s001-mod

>  <DOI>
10.3390/M280

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molbank-2002-M279-s001-mod

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10.3390/M279

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molbank-2002-M278-s001

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10.3390/M278

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molbank-2002-M278-s001-mod

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molbank-2003-M343-s001

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molbank-2003-M343-s001-mod

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10.3390/M343

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molbank-2002-M277-s002-mod

>  <DOI>
10.3390/M277

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molbank-2002-M277-s001

>  <DOI>
10.3390/M277

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>  <MOL_ID>
molbank-2002-M277-s001-mod

>  <DOI>
10.3390/M277

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>  <MOL_ID>
molbank-2003-M342-s001

>  <DOI>
10.3390/M342

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>  <MOL_ID>
molbank-2003-M342-s001-mod

>  <DOI>
10.3390/M342

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>  <MOL_ID>
molbank-2002-M276-s001

>  <DOI>
10.3390/M276

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>  <MOL_ID>
molbank-2002-M276-s001-mod

>  <DOI>
10.3390/M276

$$$$

File : molbank-2003-M341-s001.mol

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M  END
>  <MOL_ID>
molbank-2003-M341-s001

>  <DOI>
10.3390/M341

$$$$

File : molbank-2003-M341-s001-mod.mol

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COOCH3
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M  END
>  <MOL_ID>
molbank-2003-M341-s001-mod

>  <DOI>
10.3390/M341

$$$$

File : molbank-2003-M340-s001.mol

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M  END
>  <MOL_ID>
molbank-2003-M340-s001

>  <DOI>
10.3390/M340

$$$$

File : molbank-2003-M340-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2003-M340-s001-mod

>  <DOI>
10.3390/M340

$$$$

File : molbank-2003-M339-s001.mol

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>  <MOL_ID>
molbank-2003-M339-s001

>  <DOI>
10.3390/M339

$$$$

File : molbank-2003-M339-s001-mod.mol

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>  <MOL_ID>
molbank-2003-M339-s001-mod

>  <DOI>
10.3390/M339

$$$$

File : molbank-2003-M338-s001.mol

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>  <MOL_ID>
molbank-2003-M338-s001

>  <DOI>
10.3390/M338

$$$$

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>  <MOL_ID>
molbank-2003-M338-s001-mod

>  <DOI>
10.3390/M338

$$$$

File : molbank-2003-M337-s001.mol

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>  <MOL_ID>
molbank-2003-M337-s001

>  <DOI>
10.3390/M337

$$$$

File : molbank-2003-M337-s001-mod.mol

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>  <MOL_ID>
molbank-2003-M337-s001-mod

>  <DOI>
10.3390/M337

$$$$

File : molbank-2003-M336-s001.mol

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>  <MOL_ID>
molbank-2003-M336-s001

>  <DOI>
10.3390/M336

$$$$

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molbank-2003-M336-s001-mod

>  <DOI>
10.3390/M336

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molbank-2003-M335-s001

>  <DOI>
10.3390/M335

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>  <MOL_ID>
molbank-2003-M335-s001-mod

>  <DOI>
10.3390/M335

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>  <MOL_ID>
molbank-2003-M334-s001

>  <DOI>
10.3390/M334

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>  <MOL_ID>
molbank-2003-M334-s001-mod

>  <DOI>
10.3390/M334

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>  <MOL_ID>
molbank-2003-M333-s001

>  <DOI>
10.3390/M333

$$$$

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molbank-2003-M333-s001-mod

>  <DOI>
10.3390/M333

$$$$

File : molbank-2003-M332-s001.mol

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>  <MOL_ID>
molbank-2003-M332-s001

>  <DOI>
10.3390/M332

$$$$

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>  <MOL_ID>
molbank-2003-M332-s001-mod

>  <DOI>
10.3390/M332

$$$$

File : molbank-2003-M331-s002.mol

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>  <MOL_ID>
molbank-2003-M331-s002

>  <DOI>
10.3390/M331

$$$$

File : molbank-2003-M331-s002-mod.mol

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>  <MOL_ID>
molbank-2003-M331-s002-mod

>  <DOI>
10.3390/M331

$$$$

File : molbank-2003-M331-s001.mol

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>  <MOL_ID>
molbank-2003-M331-s001

>  <DOI>
10.3390/M331

$$$$

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>  <MOL_ID>
molbank-2003-M331-s001-mod

>  <DOI>
10.3390/M331

$$$$

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molbank-2003-M330-s002

>  <DOI>
10.3390/M330

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>  <MOL_ID>
molbank-2003-M330-s002-mod

>  <DOI>
10.3390/M330

$$$$

File : molbank-2003-M330-s001.mol

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>  <MOL_ID>
molbank-2003-M330-s001

>  <DOI>
10.3390/M330

$$$$

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>  <MOL_ID>
molbank-2003-M330-s001-mod

>  <DOI>
10.3390/M330

$$$$

File : molbank-2003-M329-s001.mol

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M  CHG  2  61   1  62  -1
M  END
>  <MOL_ID>
molbank-2003-M329-s001

>  <DOI>
10.3390/M329

$$$$

File : molbank-2003-M329-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2003-M329-s001-mod

>  <DOI>
10.3390/M329

$$$$

File : molbank-2003-M328-s001.mol

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>  <MOL_ID>
molbank-2003-M328-s001

>  <DOI>
10.3390/M328

$$$$

File : molbank-2003-M328-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2003-M328-s001-mod

>  <DOI>
10.3390/M328

$$$$

File : molbank-2003-M327-s001.mol

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>  <MOL_ID>
molbank-2003-M327-s001

>  <DOI>
10.3390/M327

$$$$

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>  <MOL_ID>
molbank-2003-M327-s001-mod

>  <DOI>
10.3390/M327

$$$$

File : molbank-2003-M326-s001.mol

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>  <MOL_ID>
molbank-2003-M326-s001

>  <DOI>
10.3390/M326

$$$$

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>  <MOL_ID>
molbank-2003-M326-s001-mod

>  <DOI>
10.3390/M326

$$$$

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>  <MOL_ID>
molbank-2003-M324-s001

>  <DOI>
10.3390/M324

$$$$

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>  <MOL_ID>
molbank-2003-M324-s001-mod

>  <DOI>
10.3390/M324

$$$$

File : molbank-2003-M323-s001.mol

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>  <MOL_ID>
molbank-2003-M323-s001

>  <DOI>
10.3390/M323

$$$$

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>  <MOL_ID>
molbank-2003-M323-s001-mod

>  <DOI>
10.3390/M323

$$$$

File : molbank-2003-M322-s001.mol

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>  <MOL_ID>
molbank-2003-M322-s001

>  <DOI>
10.3390/M322

$$$$

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molbank-2003-M322-s001-mod

>  <DOI>
10.3390/M322

$$$$

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molbank-2003-M321-s001

>  <DOI>
10.3390/M321

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>  <MOL_ID>
molbank-2003-M321-s001-mod

>  <DOI>
10.3390/M321

$$$$

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molbank-2003-M320-s001

>  <DOI>
10.3390/M320

$$$$

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>  <MOL_ID>
molbank-2003-M320-s001-mod

>  <DOI>
10.3390/M320

$$$$

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>  <MOL_ID>
molbank-2003-M319-s001

>  <DOI>
10.3390/M319

$$$$

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>  <MOL_ID>
molbank-2003-M319-s001-mod

>  <DOI>
10.3390/M319

$$$$

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>  <MOL_ID>
molbank-2003-M318-s001

>  <DOI>
10.3390/M318

$$$$

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molbank-2003-M317-s001

>  <DOI>
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molbank-2003-M317-s001-mod

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10.3390/M317

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>  <MOL_ID>
molbank-2003-M316-s001

>  <DOI>
10.3390/M316

$$$$

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>  <MOL_ID>
molbank-2003-M316-s001-mod

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10.3390/M316

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>  <MOL_ID>
molbank-2003-M315-s001

>  <DOI>
10.3390/M315

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>  <MOL_ID>
molbank-2003-M315-s001-mod

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10.3390/M315

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>  <MOL_ID>
molbank-2003-M314-s002

>  <DOI>
10.3390/M314

$$$$

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>  <MOL_ID>
molbank-2003-M314-s002-mod

>  <DOI>
10.3390/M314

$$$$

File : molbank-2003-M314-s001.mol

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>  <MOL_ID>
molbank-2003-M314-s001

>  <DOI>
10.3390/M314

$$$$

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>  <MOL_ID>
molbank-2003-M314-s001-mod

>  <DOI>
10.3390/M314

$$$$

File : molbank-2003-M313-s001.mol

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>  <MOL_ID>
molbank-2003-M313-s001

>  <DOI>
10.3390/M313

$$$$

File : molbank-2003-M313-s001-mod.mol

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>  <MOL_ID>
molbank-2003-M313-s001-mod

>  <DOI>
10.3390/M313

$$$$

File : molbank-2003-M312-s001.mol

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>  <MOL_ID>
molbank-2003-M312-s001

>  <DOI>
10.3390/M312

$$$$

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>  <MOL_ID>
molbank-2003-M312-s001-mod

>  <DOI>
10.3390/M312

$$$$

File : molbank-2003-M311-s001.mol

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>  <MOL_ID>
molbank-2003-M311-s001

>  <DOI>
10.3390/M311

$$$$

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molbank-2003-M311-s001-mod

>  <DOI>
10.3390/M311

$$$$

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>  <MOL_ID>
molbank-2003-M310-s001

>  <DOI>
10.3390/M310

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>  <MOL_ID>
molbank-2003-M310-s001-mod

>  <DOI>
10.3390/M310

$$$$

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>  <MOL_ID>
molbank-2003-M309-s001

>  <DOI>
10.3390/M309

$$$$

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>  <MOL_ID>
molbank-2003-M309-s001-mod

>  <DOI>
10.3390/M309

$$$$

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>  <MOL_ID>
molbank-2004-M392-s001

>  <DOI>
10.3390/M392

$$$$

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molbank-2004-M391-s001-mod

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10.3390/M391

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10.3390/M308

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>  <DOI>
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molbank-2004-M390-s001-mod

>  <DOI>
10.3390/M390

$$$$

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>  <MOL_ID>
molbank-2004-M389-s001

>  <DOI>
10.3390/M389

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>  <MOL_ID>
molbank-2004-M389-s001-mod

>  <DOI>
10.3390/M389

$$$$

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>  <MOL_ID>
molbank-2003-M307-s001

>  <DOI>
10.3390/M307

$$$$

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>  <MOL_ID>
molbank-2003-M307-s001-mod

>  <DOI>
10.3390/M307

$$$$

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>  <MOL_ID>
molbank-2004-M388-s001

>  <DOI>
10.3390/M388

$$$$

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>  <MOL_ID>
molbank-2004-M388-s001-mod

>  <DOI>
10.3390/M388

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molbank-2003-M306-s001

>  <DOI>
10.3390/M306

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>  <MOL_ID>
molbank-2003-M306-s001-mod

>  <DOI>
10.3390/M306

$$$$

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>  <MOL_ID>
molbank-2004-M387-s001

>  <DOI>
10.3390/M387

$$$$

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>  <MOL_ID>
molbank-2004-M387-s001-mod

>  <DOI>
10.3390/M387

$$$$

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>  <MOL_ID>
molbank-2004-M386-s001

>  <DOI>
10.3390/M386

$$$$

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>  <MOL_ID>
molbank-2004-M386-s001-mod

>  <DOI>
10.3390/M386

$$$$

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molbank-2004-M385-s001

>  <DOI>
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molbank-2004-M385-s001-mod

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10.3390/M385

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>  <MOL_ID>
molbank-2004-M384-s001

>  <DOI>
10.3390/M384

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>  <MOL_ID>
molbank-2004-M384-s001-mod

>  <DOI>
10.3390/M384

$$$$

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>  <MOL_ID>
molbank-2004-M383-s001

>  <DOI>
10.3390/M383

$$$$

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>  <MOL_ID>
molbank-2004-M383-s001-mod

>  <DOI>
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>  <DOI>
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10.3390/M381

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>  <DOI>
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>  <DOI>
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molbank-2003-M304-s001-mod

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10.3390/M304

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>  <DOI>
10.3390/M379

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molbank-2004-M379-s001-mod

>  <DOI>
10.3390/M379

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molbank-2004-M378-s001

>  <DOI>
10.3390/M378

$$$$

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molbank-2004-M378-s001-mod

>  <DOI>
10.3390/M378

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>  <MOL_ID>
molbank-2004-M377-s001

>  <DOI>
10.3390/M377

$$$$

File : molbank-2004-M377-s001-mod.mol

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>  <MOL_ID>
molbank-2004-M377-s001-mod

>  <DOI>
10.3390/M377

$$$$

File : molbank-2004-M376-s001.mol

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>  <MOL_ID>
molbank-2004-M376-s001

>  <DOI>
10.3390/M376

$$$$

File : molbank-2004-M376-s001-mod.mol

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>  <MOL_ID>
molbank-2004-M376-s001-mod

>  <DOI>
10.3390/M376

$$$$

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>  <MOL_ID>
molbank-2004-M375-s001

>  <DOI>
10.3390/M375

$$$$

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>  <MOL_ID>
molbank-2004-M375-s001-mod

>  <DOI>
10.3390/M375

$$$$

File : molbank-2003-M302-s001.mol

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>  <MOL_ID>
molbank-2003-M302-s001

>  <DOI>
10.3390/M302

$$$$

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>  <MOL_ID>
molbank-2003-M302-s001-mod

>  <DOI>
10.3390/M302

$$$$

File : molbank-2004-M374-s001.mol

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>  <MOL_ID>
molbank-2004-M374-s001

>  <DOI>
10.3390/M374

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>  <MOL_ID>
molbank-2004-M374-s001-mod

>  <DOI>
10.3390/M374

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molbank-2004-M373-s001

>  <DOI>
10.3390/M373

$$$$

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>  <MOL_ID>
molbank-2004-M373-s001-mod

>  <DOI>
10.3390/M373

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>  <MOL_ID>
molbank-2003-M301-s001

>  <DOI>
10.3390/M301

$$$$

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molbank-2004-M372-s001

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molbank-2004-M372-s001-mod

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>  <DOI>
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molbank-2004-M370-s001-mod

>  <DOI>
10.3390/M370

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molbank-2004-M369-s001

>  <DOI>
10.3390/M369

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molbank-2004-M369-s001-mod

>  <DOI>
10.3390/M369

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molbank-2004-M368-s001

>  <DOI>
10.3390/M368

$$$$

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>  <MOL_ID>
molbank-2004-M368-s001-mod

>  <DOI>
10.3390/M368

$$$$

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>  <MOL_ID>
molbank-2003-M300-s001

>  <DOI>
10.3390/M300

$$$$

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>  <MOL_ID>
molbank-2003-M300-s001-mod

>  <DOI>
10.3390/M300

$$$$

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>  <MOL_ID>
molbank-2003-M299-s001

>  <DOI>
10.3390/M299

$$$$

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>  <MOL_ID>
molbank-2003-M299-s001-mod

>  <DOI>
10.3390/M299

$$$$

File : molbank-2003-M298-s001.mol

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>  <MOL_ID>
molbank-2003-M298-s001

>  <DOI>
10.3390/M298

$$$$

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>  <MOL_ID>
molbank-2003-M298-s001-mod

>  <DOI>
10.3390/M298

$$$$

File : molbank-2005-M454-s001.mol

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molbank-2005-M454-s001

>  <DOI>
10.3390/M454

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>  <MOL_ID>
molbank-2005-M454-s001-mod

>  <DOI>
10.3390/M454

$$$$

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>  <MOL_ID>
molbank-2005-M453-s001

>  <DOI>
10.3390/M453

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>  <MOL_ID>
molbank-2005-M453-s001-mod

>  <DOI>
10.3390/M453

$$$$

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>  <DOI>
10.3390/M452

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>  <MOL_ID>
molbank-2005-M452-s001-mod

>  <DOI>
10.3390/M452

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File : molbank-2005-M451-s001.mol

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>  <MOL_ID>
molbank-2005-M451-s001

>  <DOI>
10.3390/M451

$$$$

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>  <MOL_ID>
molbank-2005-M451-s001-mod

>  <DOI>
10.3390/M451

$$$$

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>  <MOL_ID>
molbank-2005-M450-s001

>  <DOI>
10.3390/M450

$$$$

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>  <MOL_ID>
molbank-2005-M450-s001-mod

>  <DOI>
10.3390/M450

$$$$

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>  <MOL_ID>
molbank-2005-M449-s001

>  <DOI>
10.3390/M449

$$$$

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molbank-2005-M449-s001-mod

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10.3390/M449

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>  <MOL_ID>
molbank-2005-M448-s001

>  <DOI>
10.3390/M448

$$$$

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>  <MOL_ID>
molbank-2005-M448-s001-mod

>  <DOI>
10.3390/M448

$$$$

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>  <MOL_ID>
molbank-2005-M447-s001

>  <DOI>
10.3390/M447

$$$$

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molbank-2005-M447-s001-mod

>  <DOI>
10.3390/M447

$$$$

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>  <MOL_ID>
molbank-2005-M446-s001

>  <DOI>
10.3390/M446

$$$$

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>  <MOL_ID>
molbank-2005-M446-s001-mod

>  <DOI>
10.3390/M446

$$$$

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>  <MOL_ID>
molbank-2005-M445-s001

>  <DOI>
10.3390/M445

$$$$

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>  <MOL_ID>
molbank-2005-M445-s001-mod

>  <DOI>
10.3390/M445

$$$$

File : molbank-2005-M444-s001.mol

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>  <MOL_ID>
molbank-2005-M444-s001

>  <DOI>
10.3390/M444

$$$$

File : molbank-2005-M444-s001-mod.mol

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>  <MOL_ID>
molbank-2005-M444-s001-mod

>  <DOI>
10.3390/M444

$$$$

File : molbank-2005-M443-s001.mol

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molbank-2005-M443-s001

>  <DOI>
10.3390/M443

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>  <MOL_ID>
molbank-2005-M443-s001-mod

>  <DOI>
10.3390/M443

$$$$

File : molbank-2005-M442-s001.mol

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>  <MOL_ID>
molbank-2005-M442-s001

>  <DOI>
10.3390/M442

$$$$

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>  <MOL_ID>
molbank-2005-M442-s001-mod

>  <DOI>
10.3390/M442

$$$$

File : molbank-2005-M441-s001.mol

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>  <MOL_ID>
molbank-2005-M441-s001

>  <DOI>
10.3390/M441

$$$$

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>  <MOL_ID>
molbank-2005-M441-s001-mod

>  <DOI>
10.3390/M441

$$$$

File : molbank-2005-M440-s001.mol

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>  <MOL_ID>
molbank-2005-M440-s001

>  <DOI>
10.3390/M440

$$$$

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>  <MOL_ID>
molbank-2005-M440-s001-mod

>  <DOI>
10.3390/M440

$$$$

File : molbank-2005-M439-s001.mol

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>  <MOL_ID>
molbank-2005-M439-s001

>  <DOI>
10.3390/M439

$$$$

File : molbank-2005-M439-s001-mod.mol

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>  <MOL_ID>
molbank-2005-M439-s001-mod

>  <DOI>
10.3390/M439

$$$$

File : molbank-2005-M438-s001.mol

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>  <MOL_ID>
molbank-2005-M438-s001

>  <DOI>
10.3390/M438

$$$$

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>  <MOL_ID>
molbank-2005-M438-s001-mod

>  <DOI>
10.3390/M438

$$$$

File : molbank-2005-M437-s001.mol

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M  END
>  <MOL_ID>
molbank-2005-M437-s001

>  <DOI>
10.3390/M437

$$$$

File : molbank-2005-M437-s001-mod.mol

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>  <MOL_ID>
molbank-2005-M437-s001-mod

>  <DOI>
10.3390/M437

$$$$

File : molbank-2005-M436-s001.mol

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>  <MOL_ID>
molbank-2005-M436-s001

>  <DOI>
10.3390/M436

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>  <MOL_ID>
molbank-2005-M436-s001-mod

>  <DOI>
10.3390/M436

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>  <MOL_ID>
molbank-2005-M435-s001

>  <DOI>
10.3390/M435

$$$$

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>  <MOL_ID>
molbank-2005-M435-s001-mod

>  <DOI>
10.3390/M435

$$$$

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>  <MOL_ID>
molbank-2005-M434-s002

>  <DOI>
10.3390/M434

$$$$

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>  <MOL_ID>
molbank-2005-M434-s002-mod

>  <DOI>
10.3390/M434

$$$$

File : molbank-2005-M434-s001.mol

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>  <MOL_ID>
molbank-2005-M434-s001

>  <DOI>
10.3390/M434

$$$$

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>  <MOL_ID>
molbank-2005-M434-s001-mod

>  <DOI>
10.3390/M434

$$$$

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>  <MOL_ID>
molbank-2005-M433-s001

>  <DOI>
10.3390/M433

$$$$

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>  <MOL_ID>
molbank-2005-M433-s001-mod

>  <DOI>
10.3390/M433

$$$$

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>  <MOL_ID>
molbank-2004-M367-s001

>  <DOI>
10.3390/M367

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>  <MOL_ID>
molbank-2004-M367-s001-mod

>  <DOI>
10.3390/M367

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>  <MOL_ID>
molbank-2004-M366-s001

>  <DOI>
10.3390/M366

$$$$

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>  <MOL_ID>
molbank-2004-M366-s001-mod

>  <DOI>
10.3390/M366

$$$$

File : molbank-2004-M364-s001.mol

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molbank-2004-M364-s001

>  <DOI>
10.3390/M364

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>  <MOL_ID>
molbank-2004-M364-s001-mod

>  <DOI>
10.3390/M364

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>  <MOL_ID>
molbank-2004-M363-s001

>  <DOI>
10.3390/M363

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>  <MOL_ID>
molbank-2004-M363-s001-mod

>  <DOI>
10.3390/M363

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>  <MOL_ID>
molbank-2004-M362-s001

>  <DOI>
10.3390/M362

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>  <MOL_ID>
molbank-2004-M362-s001-mod

>  <DOI>
10.3390/M362

$$$$

File : molbank-2004-M361-s001.mol

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>  <MOL_ID>
molbank-2004-M361-s001

>  <DOI>
10.3390/M361

$$$$

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molbank-2004-M361-s001-mod

>  <DOI>
10.3390/M361

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>  <MOL_ID>
molbank-2004-M360-s001

>  <DOI>
10.3390/M360

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>  <MOL_ID>
molbank-2004-M360-s001-mod

>  <DOI>
10.3390/M360

$$$$

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>  <MOL_ID>
molbank-2004-M359-s001

>  <DOI>
10.3390/M359

$$$$

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>  <MOL_ID>
molbank-2004-M359-s001-mod

>  <DOI>
10.3390/M359

$$$$

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>  <MOL_ID>
molbank-2004-M358-s001

>  <DOI>
10.3390/M358

$$$$

File : molbank-2004-M358-s001-mod.mol

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>  <MOL_ID>
molbank-2004-M358-s001-mod

>  <DOI>
10.3390/M358

$$$$

File : molbank-2004-M357-s001.mol

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M  END
>  <MOL_ID>
molbank-2004-M357-s001

>  <DOI>
10.3390/M357

$$$$

File : molbank-2004-M357-s001-mod.mol

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molbank-2004-M357-s001-mod

>  <DOI>
10.3390/M357

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molbank-2004-M356-s001

>  <DOI>
10.3390/M356

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>  <MOL_ID>
molbank-2004-M356-s001-mod

>  <DOI>
10.3390/M356

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>  <MOL_ID>
molbank-2004-M355-s001

>  <DOI>
10.3390/M355

$$$$

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>  <MOL_ID>
molbank-2004-M355-s001-mod

>  <DOI>
10.3390/M355

$$$$

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>  <MOL_ID>
molbank-2004-M354-s001

>  <DOI>
10.3390/M354

$$$$

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>  <MOL_ID>
molbank-2004-M354-s001-mod

>  <DOI>
10.3390/M354

$$$$

File : molbank-2004-M353-s001.mol

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>  <MOL_ID>
molbank-2004-M353-s001

>  <DOI>
10.3390/M353

$$$$

File : molbank-2004-M353-s001-mod.mol

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>  <MOL_ID>
molbank-2004-M353-s001-mod

>  <DOI>
10.3390/M353

$$$$

File : molbank-2004-M352-s002.mol

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>  <MOL_ID>
molbank-2004-M352-s002

>  <DOI>
10.3390/M352

$$$$

File : molbank-2004-M352-s002-mod.mol

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molbank-2004-M352-s002-mod

>  <DOI>
10.3390/M352

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molbank-2005-M432-s002

>  <DOI>
10.3390/M432

$$$$

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molbank-2005-M432-s002-mod

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10.3390/M432

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molbank-2005-M432-s001

>  <DOI>
10.3390/M432

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molbank-2005-M432-s001-mod

>  <DOI>
10.3390/M432

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molbank-2005-M431-s001

>  <DOI>
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molbank-2005-M431-s001-mod

>  <DOI>
10.3390/M431

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>  <MOL_ID>
molbank-2005-M430-s001

>  <DOI>
10.3390/M430

$$$$

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>  <MOL_ID>
molbank-2005-M430-s001-mod

>  <DOI>
10.3390/M430

$$$$

File : molbank-2005-M429-s001.mol

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>  <MOL_ID>
molbank-2005-M429-s001

>  <DOI>
10.3390/M429

$$$$

File : molbank-2005-M429-s001-mod.mol

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>  <MOL_ID>
molbank-2005-M429-s001-mod

>  <DOI>
10.3390/M429

$$$$

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>  <MOL_ID>
molbank-2005-M428-s002

>  <DOI>
10.3390/M428

$$$$

File : molbank-2005-M428-s002-mod.mol

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>  <MOL_ID>
molbank-2005-M428-s002-mod

>  <DOI>
10.3390/M428

$$$$

File : molbank-2005-M428-s001.mol

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>  <MOL_ID>
molbank-2005-M428-s001

>  <DOI>
10.3390/M428

$$$$

File : molbank-2005-M428-s001-mod.mol

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>  <MOL_ID>
molbank-2005-M428-s001-mod

>  <DOI>
10.3390/M428

$$$$

File : molbank-2005-M427-s001.mol

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>  <MOL_ID>
molbank-2005-M427-s001

>  <DOI>
10.3390/M427

$$$$

File : molbank-2005-M427-s001-mod.mol

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>  <MOL_ID>
molbank-2005-M427-s001-mod

>  <DOI>
10.3390/M427

$$$$

File : molbank-2005-M426-s001.mol

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>  <MOL_ID>
molbank-2005-M426-s001

>  <DOI>
10.3390/M426

$$$$

File : molbank-2005-M426-s001-mod.mol

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>  <MOL_ID>
molbank-2005-M426-s001-mod

>  <DOI>
10.3390/M426

$$$$

File : molbank-2005-M425-s001.mol

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>  <MOL_ID>
molbank-2005-M425-s001

>  <DOI>
10.3390/M425

$$$$

File : molbank-2005-M425-s001-mod.mol

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>  <MOL_ID>
molbank-2005-M425-s001-mod

>  <DOI>
10.3390/M425

$$$$

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>  <MOL_ID>
molbank-2005-M424-s001

>  <DOI>
10.3390/M424

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>  <MOL_ID>
molbank-2005-M424-s001-mod

>  <DOI>
10.3390/M424

$$$$

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>  <MOL_ID>
molbank-2005-M423-s001

>  <DOI>
10.3390/M423

$$$$

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>  <MOL_ID>
molbank-2005-M423-s001-mod

>  <DOI>
10.3390/M423

$$$$

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>  <MOL_ID>
molbank-2005-M422-s001

>  <DOI>
10.3390/M422

$$$$

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>  <MOL_ID>
molbank-2005-M422-s001-mod

>  <DOI>
10.3390/M422

$$$$

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>  <MOL_ID>
molbank-2005-M421-s001

>  <DOI>
10.3390/M421

$$$$

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>  <MOL_ID>
molbank-2005-M421-s001-mod

>  <DOI>
10.3390/M421

$$$$

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>  <MOL_ID>
molbank-2005-M420-s001

>  <DOI>
10.3390/M420

$$$$

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10.3390/M420

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>  <MOL_ID>
molbank-2005-M419-s001

>  <DOI>
10.3390/M419

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>  <MOL_ID>
molbank-2005-M419-s001-mod

>  <DOI>
10.3390/M419

$$$$

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>  <MOL_ID>
molbank-2005-M418-s001

>  <DOI>
10.3390/M418

$$$$

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>  <MOL_ID>
molbank-2005-M418-s001-mod

>  <DOI>
10.3390/M418

$$$$

File : molbank-2005-M417-s001.mol

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>  <MOL_ID>
molbank-2005-M417-s001

>  <DOI>
10.3390/M417

$$$$

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>  <MOL_ID>
molbank-2005-M417-s001-mod

>  <DOI>
10.3390/M417

$$$$

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>  <MOL_ID>
molbank-2005-M416-s001

>  <DOI>
10.3390/M416

$$$$

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>  <MOL_ID>
molbank-2005-M416-s001-mod

>  <DOI>
10.3390/M416

$$$$

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>  <MOL_ID>
molbank-2005-M415-s002

>  <DOI>
10.3390/M415

$$$$

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>  <MOL_ID>
molbank-2005-M415-s002-mod

>  <DOI>
10.3390/M415

$$$$

File : molbank-2005-M415-s001.mol

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molbank-2005-M415-s001

>  <DOI>
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molbank-2005-M415-s001-mod

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molbank-2005-M414-s002

>  <DOI>
10.3390/M414

$$$$

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>  <MOL_ID>
molbank-2005-M414-s002-mod

>  <DOI>
10.3390/M414

$$$$

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>  <MOL_ID>
molbank-2005-M414-s001

>  <DOI>
10.3390/M414

$$$$

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>  <MOL_ID>
molbank-2005-M414-s001-mod

>  <DOI>
10.3390/M414

$$$$

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molbank-2005-M413-s001-mod

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10.3390/M413

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molbank-2005-M412-s001-mod

>  <DOI>
10.3390/M412

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>  <MOL_ID>
molbank-2005-M411-s001

>  <DOI>
10.3390/M411

$$$$

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molbank-2005-M411-s001-mod

>  <DOI>
10.3390/M411

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molbank-2005-M410-s001

>  <DOI>
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>  <MOL_ID>
molbank-2005-M410-s001-mod

>  <DOI>
10.3390/M410

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molbank-2005-M409-s002

>  <DOI>
10.3390/M409

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>  <MOL_ID>
molbank-2005-M409-s002-mod

>  <DOI>
10.3390/M409

$$$$

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>  <MOL_ID>
molbank-2005-M408-s001

>  <DOI>
10.3390/M408

$$$$

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molbank-2005-M408-s001-mod

>  <DOI>
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molbank-2005-M407-s001

>  <DOI>
10.3390/M407

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molbank-2005-M407-s001-mod

>  <DOI>
10.3390/M407

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molbank-2005-M406-s004

>  <DOI>
10.3390/M406

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>  <MOL_ID>
molbank-2005-M406-s004-mod

>  <DOI>
10.3390/M406

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>  <DOI>
10.3390/M406

$$$$

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>  <MOL_ID>
molbank-2005-M406-s003-mod

>  <DOI>
10.3390/M406

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>  <DOI>
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molbank-2005-M406-s002-mod

>  <DOI>
10.3390/M406

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>  <DOI>
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molbank-2005-M402-s001-mod

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10.3390/M402

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>  <DOI>
10.3390/M401

$$$$

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>  <MOL_ID>
molbank-2005-M401-s002-mod

>  <DOI>
10.3390/M401

$$$$

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>  <MOL_ID>
molbank-2005-M401-s001

>  <DOI>
10.3390/M401

$$$$

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>  <DOI>
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$$$$

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>  <MOL_ID>
molbank-2005-M400-s001-mod

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>  <MOL_ID>
molbank-2009-M598-s001

>  <DOI>
10.3390/M598

$$$$

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>  <MOL_ID>
molbank-2009-M598-s001-mod

>  <DOI>
10.3390/M598

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>  <DOI>
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molbank-2005-M399-s001-mod

>  <DOI>
10.3390/M399

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>  <MOL_ID>
molbank-2005-M398-s001

>  <DOI>
10.3390/M398

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>  <MOL_ID>
molbank-2005-M398-s001-mod

>  <DOI>
10.3390/M398

$$$$

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>  <MOL_ID>
molbank-2005-M397-s001

>  <DOI>
10.3390/M397

$$$$

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>  <MOL_ID>
molbank-2005-M397-s001-mod

>  <DOI>
10.3390/M397

$$$$

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>  <DOI>
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molbank-2005-M396-s001-mod

>  <DOI>
10.3390/M396

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>  <MOL_ID>
molbank-2005-M395-s002

>  <DOI>
10.3390/M395

$$$$

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molbank-2005-M395-s002-mod

>  <DOI>
10.3390/M395

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>  <MOL_ID>
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>  <DOI>
10.3390/M394

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>  <MOL_ID>
molbank-2005-M394-s001-mod

>  <DOI>
10.3390/M394

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molbank-2005-M393-s001

>  <DOI>
10.3390/M393

$$$$

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>  <MOL_ID>
molbank-2005-M393-s001-mod

>  <DOI>
10.3390/M393

$$$$

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>  <MOL_ID>
molbank-2009-M597-s001

>  <DOI>
10.3390/M597

$$$$

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>  <MOL_ID>
molbank-2009-M597-s001-mod

>  <DOI>
10.3390/M597

$$$$

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1 10  21  22  23  24  25  26  27  28  29  30
M  SBL   1  1  22
M  SMT   1 ^Cbz
M  SBV   1 22  -15.3502   12.0442
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  38  39
M  SBL   2  1  40
M  SMT   2 CHO
M  SBV   2 40  -15.5998   12.2358
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3 10  69  70  71  72  73  74  75  76  77  78
M  SBL   3  1  71
M  SMT   3 ^Cbz
M  SBV   3 71  -15.3502   12.0442
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4 10  93  94  95  96  97  98  99 100 101 102
M  SBL   4  1  95
M  SMT   4 ^Cbz
M  SBV   4 95  -15.3943   12.2908
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5 10 118 119 120 121 122 123 124 125 126 127
M  SBL   5  1 119
M  SMT   5 ^Cbz
M  SBV   5119  -15.3943   12.2908
M  END
>  <MOL_ID>
molbank-2009-M596-s001

>  <DOI>
10.3390/M596

$$$$

File : molbank-2009-M596-s001-mod.mol

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M  END
>  <MOL_ID>
molbank-2009-M596-s001-mod

>  <DOI>
10.3390/M596

$$$$

File : molbank-2009-M595-s001.mol

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>  <MOL_ID>
molbank-2009-M595-s001

>  <DOI>
10.3390/M595

$$$$

File : molbank-2009-M595-s001-mod.mol

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>  <MOL_ID>
molbank-2009-M595-s001-mod

>  <DOI>
10.3390/M595

$$$$

File : molbank-2009-M594-s001.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  27  28  29  30  31  32  33
M  SBL   1  1  29
M  SMT   1 ^Boc
M  SBV   1 29  -15.2963   12.3689
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  43
M  SMT   2 CHO
M  SBV   2 43  -15.5459   12.5604
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  7  69  70  71  72  73  74  75
M  SBL   3  1  73
M  SMT   3 ^Boc
M  SBV   3 73  -15.2963   12.3689
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  7  85  86  87  88  89  90  91
M  SBL   4  1  88
M  SMT   4 ^Boc
M  SBV   4 88  -15.9019   13.1770
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  7 112 113 114 115 116 117 118
M  SBL   5  1 115
M  SMT   5 ^Boc
M  SBV   5115  -15.5459   12.5604
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  7 140 141 142 143 144 145 146
M  SBL   6  1 142
M  SMT   6 ^Boc
M  SBV   6142  -15.5459   12.5604
M  END
>  <MOL_ID>
molbank-2009-M594-s001

>  <DOI>
10.3390/M594

$$$$

File : molbank-2009-M594-s001-mod.mol

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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  7  27  28  29  30  31  32  33
M  SBL   1  1  29
M  SMT   1 ^Boc
M  SBV   1 29  -15.2963   12.3689
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  43
M  SMT   2 CHO
M  SBV   2 43  -15.5459   12.5604
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  7  69  70  71  72  73  74  75
M  SBL   3  1  73
M  SMT   3 ^Boc
M  SBV   3 73  -15.2963   12.3689
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  7  85  86  87  88  89  90  91
M  SBL   4  1  88
M  SMT   4 ^Boc
M  SBV   4 88  -15.9019   13.1770
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  7 112 113 114 115 116 117 118
M  SBL   5  1 115
M  SMT   5 ^Boc
M  SBV   5115  -15.5459   12.5604
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  7 140 141 142 143 144 145 146
M  SBL   6  1 142
M  SMT   6 ^Boc
M  SBV   6142  -15.5459   12.5604
M  END
>  <MOL_ID>
molbank-2009-M594-s001-mod

>  <DOI>
10.3390/M594

$$$$

File : molbank-2006-M486-s002.mol

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M  END
>  <MOL_ID>
molbank-2006-M486-s002

>  <DOI>
10.3390/M486

$$$$

File : molbank-2006-M486-s002-mod.mol

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molbank-2006-M486-s002-mod

>  <DOI>
10.3390/M486

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molbank-2006-M486-s001

>  <DOI>
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>  <MOL_ID>
molbank-2006-M486-s001-mod

>  <DOI>
10.3390/M486

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>  <MOL_ID>
molbank-2006-M485-s001

>  <DOI>
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molbank-2006-M485-s001-mod

>  <DOI>
10.3390/M485

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>  <MOL_ID>
molbank-2006-M484-s001

>  <DOI>
10.3390/M484

$$$$

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molbank-2006-M484-s001-mod

>  <DOI>
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>  <MOL_ID>
molbank-2006-M483-s001

>  <DOI>
10.3390/M483

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>  <MOL_ID>
molbank-2006-M483-s001-mod

>  <DOI>
10.3390/M483

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>  <MOL_ID>
molbank-2006-M482-s001

>  <DOI>
10.3390/M482

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>  <MOL_ID>
molbank-2006-M482-s001-mod

>  <DOI>
10.3390/M482

$$$$

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>  <DOI>
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>  <DOI>
10.3390/M481

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>  <MOL_ID>
molbank-2006-M480-s002

>  <DOI>
10.3390/M480

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>  <MOL_ID>
molbank-2006-M480-s002-mod

>  <DOI>
10.3390/M480

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M480

$$$$

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>  <MOL_ID>
molbank-2006-M477-s001-mod

>  <DOI>
10.3390/M477

$$$$

File : molbank-2006-M476-s001.mol

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>  <MOL_ID>
molbank-2006-M476-s001

>  <DOI>
10.3390/M476

$$$$

File : molbank-2006-M476-s001-mod.mol

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>  <MOL_ID>
molbank-2006-M476-s001-mod

>  <DOI>
10.3390/M476

$$$$

File : molbank-2006-M475-s001.mol

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>  <MOL_ID>
molbank-2006-M475-s001

>  <DOI>
10.3390/M475

$$$$

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10.3390/M475

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molbank-2006-M474-s001

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molbank-2006-M473-s001-mod

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10.3390/M473

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>  <DOI>
10.3390/M472

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>  <DOI>
10.3390/M472

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>  <DOI>
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molbank-2006-M471-s001-mod

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10.3390/M471

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molbank-2006-M470-s002

>  <DOI>
10.3390/M470

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10.3390/M470

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>  <MOL_ID>
molbank-2006-M470-s001

>  <DOI>
10.3390/M470

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molbank-2006-M470-s001-mod

>  <DOI>
10.3390/M470

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>  <DOI>
10.3390/M469

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molbank-2006-M469-s002-mod

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10.3390/M469

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molbank-2006-M469-s001

>  <DOI>
10.3390/M469

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>  <MOL_ID>
molbank-2006-M469-s001-mod

>  <DOI>
10.3390/M469

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molbank-2006-M468-s001

>  <DOI>
10.3390/M468

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>  <MOL_ID>
molbank-2006-M468-s001-mod

>  <DOI>
10.3390/M468

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molbank-2006-M467-s001

>  <DOI>
10.3390/M467

$$$$

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>  <MOL_ID>
molbank-2006-M467-s001-mod

>  <DOI>
10.3390/M467

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>  <MOL_ID>
molbank-2006-M465-s001

>  <DOI>
10.3390/M465

$$$$

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molbank-2006-M464-s001

>  <DOI>
10.3390/M464

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molbank-2006-M464-s001-mod

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molbank-2006-M463-s001-mod

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10.3390/M463

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molbank-2006-M462-s001

>  <DOI>
10.3390/M462

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molbank-2006-M462-s001-mod

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>  <DOI>
10.3390/M461

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molbank-2006-M461-s001-mod

>  <DOI>
10.3390/M461

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>  <MOL_ID>
molbank-2006-M460-s001

>  <DOI>
10.3390/M460

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>  <MOL_ID>
molbank-2006-M460-s001-mod

>  <DOI>
10.3390/M460

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>  <MOL_ID>
molbank-2006-M459-s001

>  <DOI>
10.3390/M459

$$$$

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>  <MOL_ID>
molbank-2006-M459-s001-mod

>  <DOI>
10.3390/M459

$$$$

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>  <MOL_ID>
molbank-2006-M458-s001

>  <DOI>
10.3390/M458

$$$$

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>  <MOL_ID>
molbank-2006-M458-s001-mod

>  <DOI>
10.3390/M458

$$$$

File : molbank-2006-M457-s001.mol

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>  <MOL_ID>
molbank-2006-M457-s001

>  <DOI>
10.3390/M457

$$$$

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>  <MOL_ID>
molbank-2006-M457-s001-mod

>  <DOI>
10.3390/M457

$$$$

File : molbank-2006-M456-s001.mol

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>  <MOL_ID>
molbank-2006-M456-s001

>  <DOI>
10.3390/M456

$$$$

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>  <MOL_ID>
molbank-2006-M456-s001-mod

>  <DOI>
10.3390/M456

$$$$

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>  <MOL_ID>
molbank-2006-M455-s001

>  <DOI>
10.3390/M455

$$$$

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>  <MOL_ID>
molbank-2006-M455-s001-mod

>  <DOI>
10.3390/M455

$$$$

File : molbank-2007-M560-s001.mol

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>  <MOL_ID>
molbank-2007-M560-s001

>  <DOI>
10.3390/M560

$$$$

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>  <MOL_ID>
molbank-2007-M560-s001-mod

>  <DOI>
10.3390/M560

$$$$

File : molbank-2007-M559-s001.mol

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molbank-2007-M559-s001

>  <DOI>
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molbank-2007-M559-s001-mod

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10.3390/M559

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File : molbank-2007-M558-s001.mol

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molbank-2007-M558-s001

>  <DOI>
10.3390/M558

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molbank-2007-M558-s001-mod

>  <DOI>
10.3390/M558

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>  <MOL_ID>
molbank-2007-M557-s001

>  <DOI>
10.3390/M557

$$$$

File : molbank-2007-M557-s001-mod.mol

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>  <MOL_ID>
molbank-2007-M557-s001-mod

>  <DOI>
10.3390/M557

$$$$

File : molbank-2007-M556-s001.mol

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>  <MOL_ID>
molbank-2007-M556-s001

>  <DOI>
10.3390/M556

$$$$

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>  <MOL_ID>
molbank-2007-M556-s001-mod

>  <DOI>
10.3390/M556

$$$$

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>  <MOL_ID>
molbank-2007-M555-s005

>  <DOI>
10.3390/M555

$$$$

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>  <MOL_ID>
molbank-2007-M555-s005-mod

>  <DOI>
10.3390/M555

$$$$

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>  <MOL_ID>
molbank-2007-M555-s004

>  <DOI>
10.3390/M555

$$$$

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>  <MOL_ID>
molbank-2007-M555-s004-mod

>  <DOI>
10.3390/M555

$$$$

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>  <MOL_ID>
molbank-2007-M555-s003

>  <DOI>
10.3390/M555

$$$$

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>  <MOL_ID>
molbank-2007-M555-s003-mod

>  <DOI>
10.3390/M555

$$$$

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>  <MOL_ID>
molbank-2007-M555-s002

>  <DOI>
10.3390/M555

$$$$

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molbank-2007-M555-s002-mod

>  <DOI>
10.3390/M555

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>  <DOI>
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>  <MOL_ID>
molbank-2007-M554-s001-mod

>  <DOI>
10.3390/M554

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>  <DOI>
10.3390/M553

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>  <MOL_ID>
molbank-2007-M553-s002-mod

>  <DOI>
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>  <MOL_ID>
molbank-2007-M553-s001

>  <DOI>
10.3390/M553

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molbank-2007-M551-s002-mod

>  <DOI>
10.3390/M551

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molbank-2007-M551-s001

>  <DOI>
10.3390/M551

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molbank-2007-M551-s001-mod

>  <DOI>
10.3390/M551

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molbank-2007-M550-s001

>  <DOI>
10.3390/M550

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molbank-2007-M550-s001-mod

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>  <DOI>
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>  <DOI>
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>  <MOL_ID>
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>  <DOI>
10.3390/M548

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molbank-2007-M547-s001-mod

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molbank-2007-M546-s001

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molbank-2007-M546-s001-mod

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10.3390/M546

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>  <DOI>
10.3390/M591

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molbank-2009-M591-s001-mod

>  <DOI>
10.3390/M591

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>  <MOL_ID>
molbank-2007-M545-s001

>  <DOI>
10.3390/M545

$$$$

File : molbank-2007-M545-s001-mod.mol

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>  <MOL_ID>
molbank-2007-M545-s001-mod

>  <DOI>
10.3390/M545

$$$$

File : molbank-2007-M544-s001.mol

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>  <MOL_ID>
molbank-2007-M544-s001

>  <DOI>
10.3390/M544

$$$$

File : molbank-2007-M544-s001-mod.mol

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>  <MOL_ID>
molbank-2007-M544-s001-mod

>  <DOI>
10.3390/M544

$$$$

File : molbank-2007-M543-s001.mol

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>  <MOL_ID>
molbank-2007-M543-s001

>  <DOI>
10.3390/M543

$$$$

File : molbank-2007-M543-s001-mod.mol

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molbank-2007-M543-s001-mod

>  <DOI>
10.3390/M543

$$$$

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>  <MOL_ID>
molbank-2007-M542-s002

>  <DOI>
10.3390/M542

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>  <MOL_ID>
molbank-2007-M542-s002-mod

>  <DOI>
10.3390/M542

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>  <MOL_ID>
molbank-2007-M542-s001

>  <DOI>
10.3390/M542

$$$$

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>  <MOL_ID>
molbank-2007-M542-s001-mod

>  <DOI>
10.3390/M542

$$$$

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>  <MOL_ID>
molbank-2007-M541-s001

>  <DOI>
10.3390/M541

$$$$

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>  <MOL_ID>
molbank-2007-M541-s001-mod

>  <DOI>
10.3390/M541

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molbank-2007-M540-s001

>  <DOI>
10.3390/M540

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>  <MOL_ID>
molbank-2007-M540-s001-mod

>  <DOI>
10.3390/M540

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molbank-2007-M539-s001

>  <DOI>
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>  <MOL_ID>
molbank-2007-M539-s001-mod

>  <DOI>
10.3390/M539

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>  <MOL_ID>
molbank-2007-M538-s001

>  <DOI>
10.3390/M538

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molbank-2007-M535-s001-mod

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>  <DOI>
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molbank-2007-M534-s001

>  <DOI>
10.3390/M534

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molbank-2007-M534-s001-mod

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>  <DOI>
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>  <DOI>
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molbank-2007-M532-s001-mod

>  <DOI>
10.3390/M532

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molbank-2007-M528-s001-mod

>  <DOI>
10.3390/M528

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>  <MOL_ID>
molbank-2007-M527-s001

>  <DOI>
10.3390/M527

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>  <MOL_ID>
molbank-2007-M527-s001-mod

>  <DOI>
10.3390/M527

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molbank-2007-M526-s001

>  <DOI>
10.3390/M526

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>  <MOL_ID>
molbank-2007-M526-s001-mod

>  <DOI>
10.3390/M526

$$$$

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>  <MOL_ID>
molbank-2007-M525-s001

>  <DOI>
10.3390/M525

$$$$

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>  <MOL_ID>
molbank-2007-M525-s001-mod

>  <DOI>
10.3390/M525

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>  <DOI>
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molbank-2007-M524-s001-mod

>  <DOI>
10.3390/M524

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>  <DOI>
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molbank-2007-M523-s001-mod

>  <DOI>
10.3390/M523

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>  <MOL_ID>
molbank-2007-M522-s001

>  <DOI>
10.3390/M522

$$$$

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>  <MOL_ID>
molbank-2007-M522-s001-mod

>  <DOI>
10.3390/M522

$$$$

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>  <MOL_ID>
molbank-2008-M582-s001

>  <DOI>
10.3390/M582

$$$$

File : molbank-2008-M582-s001-mod.mol

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>  <MOL_ID>
molbank-2008-M582-s001-mod

>  <DOI>
10.3390/M582

$$$$

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>  <MOL_ID>
molbank-2008-M581-s002

>  <DOI>
10.3390/M581

$$$$

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>  <MOL_ID>
molbank-2008-M581-s002-mod

>  <DOI>
10.3390/M581

$$$$

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>  <MOL_ID>
molbank-2008-M581-s001

>  <DOI>
10.3390/M581

$$$$

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>  <MOL_ID>
molbank-2008-M581-s001-mod

>  <DOI>
10.3390/M581

$$$$

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>  <MOL_ID>
molbank-2008-M580-s001

>  <DOI>
10.3390/M580

$$$$

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>  <MOL_ID>
molbank-2008-M580-s001-mod

>  <DOI>
10.3390/M580

$$$$

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>  <MOL_ID>
molbank-2008-M579-s002

>  <DOI>
10.3390/M579

$$$$

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>  <MOL_ID>
molbank-2008-M579-s002-mod

>  <DOI>
10.3390/M579

$$$$

File : molbank-2008-M579-s001.mol

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>  <MOL_ID>
molbank-2008-M579-s001

>  <DOI>
10.3390/M579

$$$$

File : molbank-2008-M579-s001-mod.mol

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>  <MOL_ID>
molbank-2008-M579-s001-mod

>  <DOI>
10.3390/M579

$$$$

File : molbank-2008-M578-s001.mol

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>  <MOL_ID>
molbank-2008-M578-s001

>  <DOI>
10.3390/M578

$$$$

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10.3390/M578

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molbank-2008-M576-s001-mod

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10.3390/M576

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>  <MOL_ID>
molbank-2008-M575-s001

>  <DOI>
10.3390/M575

$$$$

File : molbank-2008-M575-s001-mod.mol

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>  <MOL_ID>
molbank-2008-M575-s001-mod

>  <DOI>
10.3390/M575

$$$$

File : molbank-2008-M574-s001.mol

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>  <DOI>
10.3390/M574

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>  <MOL_ID>
molbank-2008-M574-s001-mod

>  <DOI>
10.3390/M574

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>  <MOL_ID>
molbank-2008-M573-s001

>  <DOI>
10.3390/M573

$$$$

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>  <MOL_ID>
molbank-2008-M573-s001-mod

>  <DOI>
10.3390/M573

$$$$

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>  <MOL_ID>
molbank-2008-M572-s001

>  <DOI>
10.3390/M572

$$$$

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>  <MOL_ID>
molbank-2008-M572-s001-mod

>  <DOI>
10.3390/M572

$$$$

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>  <MOL_ID>
molbank-2008-M571-s001

>  <DOI>
10.3390/M571

$$$$

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>  <MOL_ID>
molbank-2008-M571-s001-mod

>  <DOI>
10.3390/M571

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>  <MOL_ID>
molbank-2008-M570-s001

>  <DOI>
10.3390/M570

$$$$

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>  <MOL_ID>
molbank-2008-M570-s001-mod

>  <DOI>
10.3390/M570

$$$$

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>  <MOL_ID>
molbank-2008-M569-s002

>  <DOI>
10.3390/M569

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>  <MOL_ID>
molbank-2008-M569-s002-mod

>  <DOI>
10.3390/M569

$$$$

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molbank-2008-M569-s001

>  <DOI>
10.3390/M569

$$$$

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molbank-2008-M569-s001-mod

>  <DOI>
10.3390/M569

$$$$

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>  <MOL_ID>
molbank-2008-M568-s001

>  <DOI>
10.3390/M568

$$$$

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>  <MOL_ID>
molbank-2008-M568-s001-mod

>  <DOI>
10.3390/M568

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molbank-2008-M567-s001

>  <DOI>
10.3390/M567

$$$$

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>  <MOL_ID>
molbank-2008-M567-s001-mod

>  <DOI>
10.3390/M567

$$$$

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>  <DOI>
10.3390/M566

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>  <MOL_ID>
molbank-2008-M566-s003-mod

>  <DOI>
10.3390/M566

$$$$

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>  <DOI>
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molbank-2008-M566-s002-mod

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>  <DOI>
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>  <MOL_ID>
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>  <DOI>
10.3390/M566

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>  <MOL_ID>
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>  <DOI>
10.3390/M565

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>  <MOL_ID>
molbank-2008-M565-s001-mod

>  <DOI>
10.3390/M565

$$$$

File : molbank-2008-M564-s001.mol

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>  <MOL_ID>
molbank-2008-M564-s001

>  <DOI>
10.3390/M564

$$$$

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>  <MOL_ID>
molbank-2008-M564-s001-mod

>  <DOI>
10.3390/M564

$$$$

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>  <MOL_ID>
molbank-2008-M563-s001

>  <DOI>
10.3390/M563

$$$$

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>  <MOL_ID>
molbank-2008-M563-s001-mod

>  <DOI>
10.3390/M563

$$$$

File : molbank-2008-M562-s001.mol

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>  <MOL_ID>
molbank-2008-M562-s001

>  <DOI>
10.3390/M562

$$$$

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>  <MOL_ID>
molbank-2008-M562-s001-mod

>  <DOI>
10.3390/M562

$$$$

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>  <MOL_ID>
molbank-2008-M561-s001

>  <DOI>
10.3390/M561

$$$$

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>  <MOL_ID>
molbank-2008-M561-s001-mod

>  <DOI>
10.3390/M561

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>  <MOL_ID>
molbank-2009-M590-s001

>  <DOI>
10.3390/M590

$$$$

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>  <MOL_ID>
molbank-2009-M590-s001-mod

>  <DOI>
10.3390/M590

$$$$

File : molbank-2009-M589-s001.mol

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>  <MOL_ID>
molbank-2009-M589-s001

>  <DOI>
10.3390/M589

$$$$

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>  <MOL_ID>
molbank-2009-M589-s001-mod

>  <DOI>
10.3390/M589

$$$$

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>  <MOL_ID>
molbank-2009-M588-s001

>  <DOI>
10.3390/M588

$$$$

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>  <MOL_ID>
molbank-2009-M588-s001-mod

>  <DOI>
10.3390/M588

$$$$

File : molbank-2009-M587-s001.mol

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>  <MOL_ID>
molbank-2009-M587-s001

>  <DOI>
10.3390/M587

$$$$

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molbank-2009-M587-s001-mod

>  <DOI>
10.3390/M587

$$$$

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>  <MOL_ID>
molbank-2009-M586-s001

>  <DOI>
10.3390/M586

$$$$

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>  <MOL_ID>
molbank-2009-M586-s001-mod

>  <DOI>
10.3390/M586

$$$$

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>  <MOL_ID>
molbank-2009-M585-s001

>  <DOI>
10.3390/M585

$$$$

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>  <MOL_ID>
molbank-2009-M585-s001-mod

>  <DOI>
10.3390/M585

$$$$

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molbank-2009-M584-s001

>  <DOI>
10.3390/M584

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>  <MOL_ID>
molbank-2009-M584-s001-mod

>  <DOI>
10.3390/M584

$$$$

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>  <MOL_ID>
molecules-02-M42-s001

>  <DOI>
10.3390/M42

$$$$

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>  <MOL_ID>
molecules-02-M42-s001-mod

>  <DOI>
10.3390/M42

$$$$

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>  <MOL_ID>
molecules-02-M41-s001

>  <DOI>
10.3390/M41

$$$$

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>  <MOL_ID>
molecules-02-M41-s001-mod

>  <DOI>
10.3390/M41

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molecules-02-M40-s001

>  <DOI>
10.3390/M40

$$$$

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>  <MOL_ID>
molecules-02-M40-s001-mod

>  <DOI>
10.3390/M40

$$$$

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>  <MOL_ID>
molecules-02-M39-s001

>  <DOI>
10.3390/M39

$$$$

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>  <MOL_ID>
molecules-02-M39-s001-mod

>  <DOI>
10.3390/M39

$$$$

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>  <MOL_ID>
molecules-02-M37-s001

>  <DOI>
10.3390/M37

$$$$

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>  <MOL_ID>
molecules-02-M37-s001-mod

>  <DOI>
10.3390/M37

$$$$

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>  <MOL_ID>
molecules-02-M36-s001

>  <DOI>
10.3390/M36

$$$$

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>  <MOL_ID>
molecules-02-M36-s001-mod

>  <DOI>
10.3390/M36

$$$$

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molecules-02-M35-s001

>  <DOI>
10.3390/M35

$$$$

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>  <MOL_ID>
molecules-02-M35-s001-mod

>  <DOI>
10.3390/M35

$$$$

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>  <MOL_ID>
molecules-02-M34-s001

>  <DOI>
10.3390/M34

$$$$

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>  <MOL_ID>
molecules-02-M34-s001-mod

>  <DOI>
10.3390/M34

$$$$

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>  <MOL_ID>
molecules-02-M33-s001

>  <DOI>
10.3390/M33

$$$$

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>  <MOL_ID>
molecules-02-M33-s001-mod

>  <DOI>
10.3390/M33

$$$$

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>  <MOL_ID>
molecules-02-M32-s001

>  <DOI>
10.3390/M32

$$$$

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>  <MOL_ID>
molecules-02-M32-s001-mod

>  <DOI>
10.3390/M32

$$$$

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>  <MOL_ID>
molecules-02-M31-s001

>  <DOI>
10.3390/M31

$$$$

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>  <MOL_ID>
molecules-02-M31-s001-mod

>  <DOI>
10.3390/M31

$$$$

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>  <MOL_ID>
molecules-02-M30-s001

>  <DOI>
10.3390/M30

$$$$

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>  <MOL_ID>
molecules-02-M30-s001-mod

>  <DOI>
10.3390/M30

$$$$

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>  <MOL_ID>
molecules-02-M29-s001

>  <DOI>
10.3390/M29

$$$$

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>  <MOL_ID>
molecules-02-M29-s001-mod

>  <DOI>
10.3390/M29

$$$$

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molecules-02-M28-s001

>  <DOI>
10.3390/M28

$$$$

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>  <MOL_ID>
molecules-02-M28-s001-mod

>  <DOI>
10.3390/M28

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>  <MOL_ID>
molecules-02-M27-s001

>  <DOI>
10.3390/M27

$$$$

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>  <MOL_ID>
molecules-02-M27-s001-mod

>  <DOI>
10.3390/M27

$$$$

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>  <MOL_ID>
molecules-02-M26-s001

>  <DOI>
10.3390/M26

$$$$

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>  <MOL_ID>
molecules-02-M26-s001-mod

>  <DOI>
10.3390/M26

$$$$

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molecules-02-M25-s001

>  <DOI>
10.3390/M25

$$$$

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>  <MOL_ID>
molecules-02-M25-s001-mod

>  <DOI>
10.3390/M25

$$$$

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>  <MOL_ID>
molecules-02-M24-s001

>  <DOI>
10.3390/M24

$$$$

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molecules-02-M24-s001-mod

>  <DOI>
10.3390/M24

$$$$

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>  <MOL_ID>
molecules-02-M23-s001

>  <DOI>
10.3390/M23

$$$$

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>  <MOL_ID>
molecules-02-M23-s001-mod

>  <DOI>
10.3390/M23

$$$$

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>  <MOL_ID>
molecules-02-M22-s001

>  <DOI>
10.3390/M22

$$$$

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>  <MOL_ID>
molecules-02-M22-s001-mod

>  <DOI>
10.3390/M22

$$$$

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molecules-02-M21-s001

>  <DOI>
10.3390/M21

$$$$

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>  <MOL_ID>
molecules-02-M21-s001-mod

>  <DOI>
10.3390/M21

$$$$

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>  <MOL_ID>
molecules-02-M20-s001

>  <DOI>
10.3390/M20

$$$$

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>  <MOL_ID>
molecules-02-M20-s001-mod

>  <DOI>
10.3390/M20

$$$$

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>  <MOL_ID>
molecules-02-M19-s001

>  <DOI>
10.3390/M19

$$$$

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>  <MOL_ID>
molecules-02-M19-s001-mod

>  <DOI>
10.3390/M19

$$$$

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>  <MOL_ID>
molecules-02-M18-s001

>  <DOI>
10.3390/M18

$$$$

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>  <MOL_ID>
molecules-02-M18-s001-mod

>  <DOI>
10.3390/M18

$$$$

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>  <MOL_ID>
molecules-02-M17-s001

>  <DOI>
10.3390/M17

$$$$

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>  <MOL_ID>
molecules-02-M17-s001-mod

>  <DOI>
10.3390/M17

$$$$

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>  <MOL_ID>
molecules-02-M16-s001

>  <DOI>
10.3390/M16

$$$$

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>  <MOL_ID>
molecules-02-M16-s001-mod

>  <DOI>
10.3390/M16

$$$$

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>  <MOL_ID>
molecules-02-M15-s001

>  <DOI>
10.3390/M15

$$$$

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>  <MOL_ID>
molecules-02-M15-s001-mod

>  <DOI>
10.3390/M15

$$$$

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>  <MOL_ID>
molecules-02-M14-s001

>  <DOI>
10.3390/M14

$$$$

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>  <MOL_ID>
molecules-02-M14-s001-mod

>  <DOI>
10.3390/M14

$$$$

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>  <MOL_ID>
molecules-02-M13-s001

>  <DOI>
10.3390/M13

$$$$

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>  <MOL_ID>
molecules-02-M13-s001-mod

>  <DOI>
10.3390/M13

$$$$

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>  <MOL_ID>
molecules-02-M12-s001

>  <DOI>
10.3390/M12

$$$$

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molecules-02-M12-s001-mod

>  <DOI>
10.3390/M12

$$$$

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>  <DOI>
10.3390/M11

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>  <DOI>
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>  <MOL_ID>
molecules-02-M9-s001

>  <DOI>
10.3390/M9

$$$$

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>  <MOL_ID>
molecules-02-M9-s001-mod

>  <DOI>
10.3390/M9

$$$$

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>  <MOL_ID>
molecules-02-M8-s001

>  <DOI>
10.3390/M8

$$$$

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>  <MOL_ID>
molecules-02-M8-s001-mod

>  <DOI>
10.3390/M8

$$$$

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>  <MOL_ID>
molecules-02-M7-s001

>  <DOI>
10.3390/M7

$$$$

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>  <MOL_ID>
molecules-02-M7-s001-mod

>  <DOI>
10.3390/M7

$$$$

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>  <MOL_ID>
molecules-02-M6-s001

>  <DOI>
10.3390/M6

$$$$

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>  <MOL_ID>
molecules-02-M6-s001-mod

>  <DOI>
10.3390/M6

$$$$

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>  <MOL_ID>
molecules-02-M5-s001

>  <DOI>
10.3390/M5

$$$$

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>  <MOL_ID>
molecules-02-M5-s001-mod

>  <DOI>
10.3390/M5

$$$$

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>  <MOL_ID>
molecules-02-M4-s001

>  <DOI>
10.3390/M4

$$$$

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>  <MOL_ID>
molecules-02-M4-s001-mod

>  <DOI>
10.3390/M4

$$$$

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>  <MOL_ID>
molecules-02-M3-s001

>  <DOI>
10.3390/M3

$$$$

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>  <MOL_ID>
molecules-02-M3-s001-mod

>  <DOI>
10.3390/M3

$$$$

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>  <MOL_ID>
molecules-02-M1-s001

>  <DOI>
10.3390/M1

$$$$

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>  <MOL_ID>
molecules-02-M1-s001-mod

>  <DOI>
10.3390/M1

$$$$

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>  <MOL_ID>
molecules-03-M90-s001

>  <DOI>
10.3390/M90

$$$$

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>  <MOL_ID>
molecules-03-M90-s001-mod

>  <DOI>
10.3390/M90

$$$$

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>  <MOL_ID>
molecules-03-M89-s001

>  <DOI>
10.3390/M89

$$$$

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>  <MOL_ID>
molecules-03-M89-s001-mod

>  <DOI>
10.3390/M89

$$$$

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>  <MOL_ID>
molecules-03-M88-s001

>  <DOI>
10.3390/M88

$$$$

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>  <MOL_ID>
molecules-03-M88-s001-mod

>  <DOI>
10.3390/M88

$$$$

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>  <MOL_ID>
molecules-03-M87-s001

>  <DOI>
10.3390/M87

$$$$

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>  <MOL_ID>
molecules-03-M87-s001-mod

>  <DOI>
10.3390/M87

$$$$

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>  <MOL_ID>
molecules-03-M86-s001

>  <DOI>
10.3390/M86

$$$$

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>  <MOL_ID>
molecules-03-M86-s001-mod

>  <DOI>
10.3390/M86

$$$$

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>  <MOL_ID>
molecules-03-M85-s001

>  <DOI>
10.3390/M85

$$$$

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molecules-03-M85-s001-mod

>  <DOI>
10.3390/M85

$$$$

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>  <MOL_ID>
molecules-03-M84-s001

>  <DOI>
10.3390/M84

$$$$

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>  <MOL_ID>
molecules-03-M84-s001-mod

>  <DOI>
10.3390/M84

$$$$

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>  <MOL_ID>
molecules-03-M83-s001

>  <DOI>
10.3390/M83

$$$$

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>  <MOL_ID>
molecules-03-M83-s001-mod

>  <DOI>
10.3390/M83

$$$$

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>  <MOL_ID>
molecules-03-M82-s001

>  <DOI>
10.3390/M82

$$$$

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>  <MOL_ID>
molecules-03-M82-s001-mod

>  <DOI>
10.3390/M82

$$$$

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>  <MOL_ID>
molecules-03-M81-s001

>  <DOI>
10.3390/M81

$$$$

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>  <MOL_ID>
molecules-03-M81-s001-mod

>  <DOI>
10.3390/M81

$$$$

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>  <MOL_ID>
molecules-03-M80-s001

>  <DOI>
10.3390/M80

$$$$

File : molecules-03-M80-s001-mod.mol

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>  <MOL_ID>
molecules-03-M80-s001-mod

>  <DOI>
10.3390/M80

$$$$

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>  <MOL_ID>
molecules-03-M79-s001

>  <DOI>
10.3390/M79

$$$$

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>  <MOL_ID>
molecules-03-M79-s001-mod

>  <DOI>
10.3390/M79

$$$$

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>  <MOL_ID>
molecules-03-M78-s001

>  <DOI>
10.3390/M78

$$$$

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>  <MOL_ID>
molecules-03-M78-s001-mod

>  <DOI>
10.3390/M78

$$$$

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>  <MOL_ID>
molecules-03-M77-s001

>  <DOI>
10.3390/M77

$$$$

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>  <MOL_ID>
molecules-03-M77-s001-mod

>  <DOI>
10.3390/M77

$$$$

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>  <MOL_ID>
molecules-03-M76-s001

>  <DOI>
10.3390/M76

$$$$

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>  <MOL_ID>
molecules-03-M76-s001-mod

>  <DOI>
10.3390/M76

$$$$

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>  <MOL_ID>
molecules-03-M75-s001

>  <DOI>
10.3390/M75

$$$$

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molecules-03-M75-s001-mod

>  <DOI>
10.3390/M75

$$$$

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molecules-03-M74-s001

>  <DOI>
10.3390/M74

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>  <MOL_ID>
molecules-03-M74-s001-mod

>  <DOI>
10.3390/M74

$$$$

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>  <MOL_ID>
molecules-03-M73-s001

>  <DOI>
10.3390/M73

$$$$

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>  <MOL_ID>
molecules-03-M73-s001-mod

>  <DOI>
10.3390/M73

$$$$

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>  <MOL_ID>
molecules-03-M72-s001

>  <DOI>
10.3390/M72

$$$$

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>  <MOL_ID>
molecules-03-M72-s001-mod

>  <DOI>
10.3390/M72

$$$$

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>  <MOL_ID>
molecules-03-M71-s001

>  <DOI>
10.3390/M71

$$$$

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>  <MOL_ID>
molecules-03-M71-s001-mod

>  <DOI>
10.3390/M71

$$$$

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>  <MOL_ID>
molecules-03-M70-s001

>  <DOI>
10.3390/M70

$$$$

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>  <MOL_ID>
molecules-03-M70-s001-mod

>  <DOI>
10.3390/M70

$$$$

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>  <MOL_ID>
molecules-03-M69-s001

>  <DOI>
10.3390/M69

$$$$

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>  <MOL_ID>
molecules-03-M69-s001-mod

>  <DOI>
10.3390/M69

$$$$

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>  <MOL_ID>
molecules-03-M68-s001

>  <DOI>
10.3390/M68

$$$$

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>  <MOL_ID>
molecules-03-M68-s001-mod

>  <DOI>
10.3390/M68

$$$$

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>  <MOL_ID>
molecules-03-M67-s001

>  <DOI>
10.3390/M67

$$$$

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>  <MOL_ID>
molecules-03-M67-s001-mod

>  <DOI>
10.3390/M67

$$$$

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>  <MOL_ID>
molecules-03-M66-s001

>  <DOI>
10.3390/M66

$$$$

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>  <MOL_ID>
molecules-03-M66-s001-mod

>  <DOI>
10.3390/M66

$$$$

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>  <MOL_ID>
molecules-03-M65-s001

>  <DOI>
10.3390/M65

$$$$

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>  <MOL_ID>
molecules-03-M65-s001-mod

>  <DOI>
10.3390/M65

$$$$

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>  <MOL_ID>
molecules-03-M64-s001

>  <DOI>
10.3390/M64

$$$$

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>  <MOL_ID>
molecules-03-M64-s001-mod

>  <DOI>
10.3390/M64

$$$$

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>  <MOL_ID>
molecules-03-M63-s001

>  <DOI>
10.3390/M63

$$$$

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>  <MOL_ID>
molecules-03-M63-s001-mod

>  <DOI>
10.3390/M63

$$$$

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>  <MOL_ID>
molecules-03-M62-s001

>  <DOI>
10.3390/M62

$$$$

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>  <MOL_ID>
molecules-03-M62-s001-mod

>  <DOI>
10.3390/M62

$$$$

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>  <MOL_ID>
molecules-03-M61-s001

>  <DOI>
10.3390/M61

$$$$

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>  <MOL_ID>
molecules-03-M61-s001-mod

>  <DOI>
10.3390/M61

$$$$

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>  <MOL_ID>
molecules-03-M60-s001

>  <DOI>
10.3390/M60

$$$$

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>  <MOL_ID>
molecules-03-M60-s001-mod

>  <DOI>
10.3390/M60

$$$$

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>  <MOL_ID>
molecules-03-M59-s001

>  <DOI>
10.3390/M59

$$$$

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>  <MOL_ID>
molecules-03-M59-s001-mod

>  <DOI>
10.3390/M59

$$$$

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>  <MOL_ID>
molecules-03-M58-s001

>  <DOI>
10.3390/M58

$$$$

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>  <MOL_ID>
molecules-03-M58-s001-mod

>  <DOI>
10.3390/M58

$$$$

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>  <MOL_ID>
molecules-03-M57-s001

>  <DOI>
10.3390/M57

$$$$

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>  <MOL_ID>
molecules-03-M57-s001-mod

>  <DOI>
10.3390/M57

$$$$

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>  <MOL_ID>
molecules-03-M56-s001

>  <DOI>
10.3390/M56

$$$$

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>  <MOL_ID>
molecules-03-M56-s001-mod

>  <DOI>
10.3390/M56

$$$$

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>  <MOL_ID>
molecules-03-M55-s001

>  <DOI>
10.3390/M55

$$$$

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>  <MOL_ID>
molecules-03-M55-s001-mod

>  <DOI>
10.3390/M55

$$$$

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>  <MOL_ID>
molecules-03-M54-s001

>  <DOI>
10.3390/M54

$$$$

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>  <MOL_ID>
molecules-03-M54-s001-mod

>  <DOI>
10.3390/M54

$$$$

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>  <MOL_ID>
molecules-03-M53-s001

>  <DOI>
10.3390/M53

$$$$

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>  <MOL_ID>
molecules-03-M53-s001-mod

>  <DOI>
10.3390/M53

$$$$

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>  <MOL_ID>
molecules-03-M52-s001

>  <DOI>
10.3390/M52

$$$$

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>  <MOL_ID>
molecules-03-M52-s001-mod

>  <DOI>
10.3390/M52

$$$$

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>  <MOL_ID>
molecules-03-M51-s001

>  <DOI>
10.3390/M51

$$$$

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>  <MOL_ID>
molecules-03-M51-s001-mod

>  <DOI>
10.3390/M51

$$$$

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>  <MOL_ID>
molecules-03-M50-s001

>  <DOI>
10.3390/M50

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>  <MOL_ID>
molecules-03-M50-s001-mod

>  <DOI>
10.3390/M50

$$$$

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>  <MOL_ID>
molecules-03-M49-s001

>  <DOI>
10.3390/M49

$$$$

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>  <MOL_ID>
molecules-03-M49-s001-mod

>  <DOI>
10.3390/M49

$$$$

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>  <MOL_ID>
molecules-03-M48-s001

>  <DOI>
10.3390/M48

$$$$

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>  <MOL_ID>
molecules-03-M48-s001-mod

>  <DOI>
10.3390/M48

$$$$

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>  <MOL_ID>
molecules-03-M47-s001

>  <DOI>
10.3390/M47

$$$$

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>  <MOL_ID>
molecules-03-M47-s001-mod

>  <DOI>
10.3390/M47

$$$$

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>  <MOL_ID>
molecules-03-M46-s001

>  <DOI>
10.3390/M46

$$$$

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>  <MOL_ID>
molecules-03-M46-s001-mod

>  <DOI>
10.3390/M46

$$$$

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>  <DOI>
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molecules-03-M45-s001-mod

>  <DOI>
10.3390/M45

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>  <MOL_ID>
molecules-03-M44-s001

>  <DOI>
10.3390/M44

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>  <MOL_ID>
molecules-03-M44-s001-mod

>  <DOI>
10.3390/M44

$$$$

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>  <MOL_ID>
molecules-03-M43-s001

>  <DOI>
10.3390/M43

$$$$

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>  <MOL_ID>
molecules-03-M43-s001-mod

>  <DOI>
10.3390/M43

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>  <MOL_ID>
molecules-04-M126-s001

>  <DOI>
10.3390/M126

$$$$

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>  <MOL_ID>
molecules-04-M126-s001-mod

>  <DOI>
10.3390/M126

$$$$

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>  <MOL_ID>
molecules-04-M125-s001

>  <DOI>
10.3390/M125

$$$$

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>  <MOL_ID>
molecules-04-M125-s001-mod

>  <DOI>
10.3390/M125

$$$$

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>  <MOL_ID>
molecules-04-M124-s001

>  <DOI>
10.3390/M124

$$$$

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>  <MOL_ID>
molecules-04-M124-s001-mod

>  <DOI>
10.3390/M124

$$$$

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>  <MOL_ID>
molecules-04-M123-s001

>  <DOI>
10.3390/M123

$$$$

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>  <MOL_ID>
molecules-04-M123-s001-mod

>  <DOI>
10.3390/M123

$$$$

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>  <MOL_ID>
molecules-04-M122-s001

>  <DOI>
10.3390/M122

$$$$

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>  <MOL_ID>
molecules-04-M122-s001-mod

>  <DOI>
10.3390/M122

$$$$

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>  <MOL_ID>
molecules-04-M121-s001

>  <DOI>
10.3390/M121

$$$$

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>  <MOL_ID>
molecules-04-M121-s001-mod

>  <DOI>
10.3390/M121

$$$$

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>  <DOI>
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$$$$

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molecules-04-M120-s001-mod

>  <DOI>
10.3390/M120

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>  <DOI>
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$$$$

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$$$$

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molecules-04-M118-s001

>  <DOI>
10.3390/M118

$$$$

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>  <MOL_ID>
molecules-04-M118-s001-mod

>  <DOI>
10.3390/M118

$$$$

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>  <MOL_ID>
molecules-04-M117-s001

>  <DOI>
10.3390/M117

$$$$

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>  <MOL_ID>
molecules-04-M117-s001-mod

>  <DOI>
10.3390/M117

$$$$

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>  <MOL_ID>
molecules-04-M116-s001

>  <DOI>
10.3390/M116

$$$$

File : molecules-04-M116-s001-mod.mol

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>  <MOL_ID>
molecules-04-M116-s001-mod

>  <DOI>
10.3390/M116

$$$$

File : molecules-04-M115-s001.mol

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>  <MOL_ID>
molecules-04-M115-s001

>  <DOI>
10.3390/M115

$$$$

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>  <MOL_ID>
molecules-04-M115-s001-mod

>  <DOI>
10.3390/M115

$$$$

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>  <MOL_ID>
molecules-04-M114-s001

>  <DOI>
10.3390/M114

$$$$

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>  <MOL_ID>
molecules-04-M114-s001-mod

>  <DOI>
10.3390/M114

$$$$

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>  <MOL_ID>
molecules-04-M113-s001

>  <DOI>
10.3390/M113

$$$$

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>  <MOL_ID>
molecules-04-M113-s001-mod

>  <DOI>
10.3390/M113

$$$$

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>  <MOL_ID>
molecules-04-M112-s001

>  <DOI>
10.3390/M112

$$$$

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>  <MOL_ID>
molecules-04-M112-s001-mod

>  <DOI>
10.3390/M112

$$$$

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>  <DOI>
10.3390/M111

$$$$

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molecules-04-M111-s001-mod

>  <DOI>
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>  <MOL_ID>
molecules-04-M110-s001

>  <DOI>
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>  <MOL_ID>
molecules-04-M110-s001-mod

>  <DOI>
10.3390/M110

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>  <MOL_ID>
molecules-04-M109-s001

>  <DOI>
10.3390/M109

$$$$

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>  <MOL_ID>
molecules-04-M109-s001-mod

>  <DOI>
10.3390/M109

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>  <MOL_ID>
molecules-04-M107-s001

>  <DOI>
10.3390/M107

$$$$

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molecules-04-M107-s001-mod

>  <DOI>
10.3390/M107

$$$$

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molecules-04-M108-s001

>  <DOI>
10.3390/M108

$$$$

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>  <MOL_ID>
molecules-04-M108-s001-mod

>  <DOI>
10.3390/M108

$$$$

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>  <MOL_ID>
molecules-04-M106-s001

>  <DOI>
10.3390/M106

$$$$

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>  <MOL_ID>
molecules-04-M106-s001-mod

>  <DOI>
10.3390/M106

$$$$

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>  <MOL_ID>
molecules-04-M105-s001

>  <DOI>
10.3390/M105

$$$$

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>  <MOL_ID>
molecules-04-M105-s001-mod

>  <DOI>
10.3390/M105

$$$$

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>  <DOI>
10.3390/M104

$$$$

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>  <DOI>
10.3390/M104

$$$$

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>  <MOL_ID>
molecules-04-M103-s001

>  <DOI>
10.3390/M103

$$$$

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>  <MOL_ID>
molecules-04-M103-s001-mod

>  <DOI>
10.3390/M103

$$$$

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>  <MOL_ID>
molecules-04-M102-s001

>  <DOI>
10.3390/M102

$$$$

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>  <MOL_ID>
molecules-04-M102-s001-mod

>  <DOI>
10.3390/M102

$$$$

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>  <MOL_ID>
molecules-04-M101-s001

>  <DOI>
10.3390/M101

$$$$

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>  <MOL_ID>
molecules-04-M101-s001-mod

>  <DOI>
10.3390/M101

$$$$

File : molecules-04-M100-s001.mol

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>  <MOL_ID>
molecules-04-M100-s001

>  <DOI>
10.3390/M100

$$$$

File : molecules-04-M100-s001-mod.mol

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>  <MOL_ID>
molecules-04-M100-s001-mod

>  <DOI>
10.3390/M100

$$$$

File : molecules-04-M99-s001.mol

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>  <MOL_ID>
molecules-04-M99-s001

>  <DOI>
10.3390/M99

$$$$

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>  <MOL_ID>
molecules-04-M99-s001-mod

>  <DOI>
10.3390/M99

$$$$

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>  <MOL_ID>
molecules-04-M98-s001

>  <DOI>
10.3390/M98

$$$$

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>  <MOL_ID>
molecules-04-M98-s001-mod

>  <DOI>
10.3390/M98

$$$$

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>  <MOL_ID>
molecules-04-M97-s001

>  <DOI>
10.3390/M97

$$$$

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>  <MOL_ID>
molecules-04-M97-s001-mod

>  <DOI>
10.3390/M97

$$$$

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M  END
>  <MOL_ID>
molecules-04-M96-s001

>  <DOI>
10.3390/M96

$$$$

File : molecules-04-M96-s001-mod.mol

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M  END
>  <MOL_ID>
molecules-04-M96-s001-mod

>  <DOI>
10.3390/M96

$$$$

File : molecules-04-M94-s001.mol

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>  <MOL_ID>
molecules-04-M94-s001

>  <DOI>
10.3390/M94

$$$$

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>  <MOL_ID>
molecules-04-M94-s001-mod

>  <DOI>
10.3390/M94

$$$$

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>  <MOL_ID>
molecules-04-M93-s001

>  <DOI>
10.3390/M93

$$$$

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>  <MOL_ID>
molecules-04-M93-s001-mod

>  <DOI>
10.3390/M93

$$$$

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>  <MOL_ID>
molecules-04-M92-s001

>  <DOI>
10.3390/M92

$$$$

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>  <MOL_ID>
molecules-04-M92-s001-mod

>  <DOI>
10.3390/M92

$$$$

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>  <MOL_ID>
molecules-04-M91-s001

>  <DOI>
10.3390/M91

$$$$

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>  <MOL_ID>
molecules-04-M91-s001-mod

>  <DOI>
10.3390/M91

$$$$

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>  <MOL_ID>
molecules-05-M192-s001

>  <DOI>
10.3390/M192

$$$$

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10.3390/M192

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>  <MOL_ID>
molecules-05-M191-s001

>  <DOI>
10.3390/M191

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molecules-05-M191-s001-mod

>  <DOI>
10.3390/M191

$$$$

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>  <MOL_ID>
molecules-05-M190-s001

>  <DOI>
10.3390/M190

$$$$

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molecules-05-M190-s001-mod

>  <DOI>
10.3390/M190

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>  <MOL_ID>
molecules-05-M189-s001

>  <DOI>
10.3390/M189

$$$$

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>  <MOL_ID>
molecules-05-M189-s001-mod

>  <DOI>
10.3390/M189

$$$$

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>  <MOL_ID>
molecules-05-M188-s001

>  <DOI>
10.3390/M188

$$$$

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>  <MOL_ID>
molecules-05-M188-s001-mod

>  <DOI>
10.3390/M188

$$$$

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>  <MOL_ID>
molecules-05-M187-s001

>  <DOI>
10.3390/M187

$$$$

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>  <DOI>
10.3390/M187

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>  <MOL_ID>
molecules-05-M186-s001

>  <DOI>
10.3390/M186

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>  <MOL_ID>
molecules-05-M186-s001-mod

>  <DOI>
10.3390/M186

$$$$

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>  <MOL_ID>
molecules-05-M185-s001

>  <DOI>
10.3390/M185

$$$$

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>  <MOL_ID>
molecules-05-M185-s001-mod

>  <DOI>
10.3390/M185

$$$$

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>  <DOI>
10.3390/M184

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molecules-05-M184-s001-mod

>  <DOI>
10.3390/M184

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>  <MOL_ID>
molecules-05-M183-s001

>  <DOI>
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$$$$

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>  <MOL_ID>
molecules-05-M183-s001-mod

>  <DOI>
10.3390/M183

$$$$

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>  <MOL_ID>
molecules-05-M182-s001

>  <DOI>
10.3390/M182

$$$$

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>  <MOL_ID>
molecules-05-M182-s001-mod

>  <DOI>
10.3390/M182

$$$$

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>  <MOL_ID>
molecules-05-M181-s002

>  <DOI>
10.3390/M181

$$$$

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>  <MOL_ID>
molecules-05-M181-s002-mod

>  <DOI>
10.3390/M181

$$$$

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>  <MOL_ID>
molecules-05-M180-s001

>  <DOI>
10.3390/M180

$$$$

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>  <MOL_ID>
molecules-05-M180-s001-mod

>  <DOI>
10.3390/M180

$$$$

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>  <MOL_ID>
molecules-05-M179-s001

>  <DOI>
10.3390/M179

$$$$

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>  <MOL_ID>
molecules-05-M179-s001-mod

>  <DOI>
10.3390/M179

$$$$

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>  <MOL_ID>
molecules-05-M178-s001

>  <DOI>
10.3390/M178

$$$$

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>  <MOL_ID>
molecules-05-M178-s001-mod

>  <DOI>
10.3390/M178

$$$$

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>  <MOL_ID>
molecules-05-M177-s001

>  <DOI>
10.3390/M177

$$$$

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>  <MOL_ID>
molecules-05-M177-s001-mod

>  <DOI>
10.3390/M177

$$$$

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>  <MOL_ID>
molecules-05-M176-s001

>  <DOI>
10.3390/M176

$$$$

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>  <MOL_ID>
molecules-05-M176-s001-mod

>  <DOI>
10.3390/M176

$$$$

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>  <MOL_ID>
molecules-05-M175-s001

>  <DOI>
10.3390/M175

$$$$

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>  <MOL_ID>
molecules-05-M175-s001-mod

>  <DOI>
10.3390/M175

$$$$

File : molecules-05-M174-s001.mol

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>  <MOL_ID>
molecules-05-M174-s001

>  <DOI>
10.3390/M174

$$$$

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>  <MOL_ID>
molecules-05-M174-s001-mod

>  <DOI>
10.3390/M174

$$$$

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>  <MOL_ID>
molecules-05-M173-s001

>  <DOI>
10.3390/M173

$$$$

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>  <MOL_ID>
molecules-05-M173-s001-mod

>  <DOI>
10.3390/M173

$$$$

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>  <MOL_ID>
molecules-05-M172-s001

>  <DOI>
10.3390/M172

$$$$

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>  <MOL_ID>
molecules-05-M172-s001-mod

>  <DOI>
10.3390/M172

$$$$

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>  <MOL_ID>
molecules-05-M171-s001

>  <DOI>
10.3390/M171

$$$$

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>  <MOL_ID>
molecules-05-M171-s001-mod

>  <DOI>
10.3390/M171

$$$$

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>  <DOI>
10.3390/M170

$$$$

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>  <DOI>
10.3390/M170

$$$$

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molecules-05-M169-s001

>  <DOI>
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$$$$

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molecules-05-M169-s001-mod

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>  <MOL_ID>
molecules-05-M168-s001

>  <DOI>
10.3390/M168

$$$$

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>  <MOL_ID>
molecules-05-M168-s001-mod

>  <DOI>
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$$$$

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>  <MOL_ID>
molecules-05-M167-s001

>  <DOI>
10.3390/M167

$$$$

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>  <MOL_ID>
molecules-05-M167-s001-mod

>  <DOI>
10.3390/M167

$$$$

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>  <MOL_ID>
molecules-05-M166-s001

>  <DOI>
10.3390/M166

$$$$

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>  <MOL_ID>
molecules-05-M166-s001-mod

>  <DOI>
10.3390/M166

$$$$

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>  <MOL_ID>
molecules-05-M164-s001

>  <DOI>
10.3390/M164

$$$$

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>  <MOL_ID>
molecules-05-M164-s001-mod

>  <DOI>
10.3390/M164

$$$$

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>  <MOL_ID>
molecules-05-M165-s001

>  <DOI>
10.3390/M165

$$$$

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>  <MOL_ID>
molecules-05-M165-s001-mod

>  <DOI>
10.3390/M165

$$$$

File : molecules-05-M163-s001.mol

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>  <MOL_ID>
molecules-05-M163-s001

>  <DOI>
10.3390/M163

$$$$

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molecules-05-M162-s001

>  <DOI>
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$$$$

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molecules-05-M162-s001-mod

>  <DOI>
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$$$$

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molecules-05-M161-s001

>  <DOI>
10.3390/M161

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M161

$$$$

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>  <MOL_ID>
molecules-05-M160-s001

>  <DOI>
10.3390/M160

$$$$

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$$$$

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>  <MOL_ID>
molecules-05-M159-s001

>  <DOI>
10.3390/M159

$$$$

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>  <MOL_ID>
molecules-05-M159-s001-mod

>  <DOI>
10.3390/M159

$$$$

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>  <MOL_ID>
molecules-05-M158-s001

>  <DOI>
10.3390/M158

$$$$

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>  <MOL_ID>
molecules-05-M158-s001-mod

>  <DOI>
10.3390/M158

$$$$

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>  <MOL_ID>
molecules-05-M157-s001

>  <DOI>
10.3390/M157

$$$$

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>  <MOL_ID>
molecules-05-M157-s001-mod

>  <DOI>
10.3390/M157

$$$$

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>  <MOL_ID>
molecules-05-M156-s001

>  <DOI>
10.3390/M156

$$$$

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>  <MOL_ID>
molecules-05-M156-s001-mod

>  <DOI>
10.3390/M156

$$$$

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>  <MOL_ID>
molecules-05-M155-s001

>  <DOI>
10.3390/M155

$$$$

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>  <MOL_ID>
molecules-05-M155-s001-mod

>  <DOI>
10.3390/M155

$$$$

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>  <MOL_ID>
molecules-05-M154-s001

>  <DOI>
10.3390/M154

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M154

$$$$

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>  <MOL_ID>
molecules-05-M153-s001

>  <DOI>
10.3390/M153

$$$$

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>  <MOL_ID>
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>  <DOI>
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>  <MOL_ID>
molecules-05-M152-s001

>  <DOI>
10.3390/M152

$$$$

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>  <MOL_ID>
molecules-05-M152-s001-mod

>  <DOI>
10.3390/M152

$$$$

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>  <MOL_ID>
molecules-05-M151-s001

>  <DOI>
10.3390/M151

$$$$

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>  <MOL_ID>
molecules-05-M151-s001-mod

>  <DOI>
10.3390/M151

$$$$

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molecules-05-M150-s001

>  <DOI>
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$$$$

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>  <MOL_ID>
molecules-05-M150-s001-mod

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10.3390/M150

$$$$

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>  <MOL_ID>
molecules-05-M149-s001

>  <DOI>
10.3390/M149

$$$$

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>  <MOL_ID>
molecules-05-M149-s001-mod

>  <DOI>
10.3390/M149

$$$$

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>  <MOL_ID>
molecules-05-M148-s001

>  <DOI>
10.3390/M148

$$$$

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>  <MOL_ID>
molecules-05-M148-s001-mod

>  <DOI>
10.3390/M148

$$$$

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>  <MOL_ID>
molecules-05-M147-s001

>  <DOI>
10.3390/M147

$$$$

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>  <MOL_ID>
molecules-05-M147-s001-mod

>  <DOI>
10.3390/M147

$$$$

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>  <MOL_ID>
molecules-05-M146-s001

>  <DOI>
10.3390/M146

$$$$

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>  <MOL_ID>
molecules-05-M146-s001-mod

>  <DOI>
10.3390/M146

$$$$

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>  <MOL_ID>
molecules-05-M145-s001

>  <DOI>
10.3390/M145

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>  <MOL_ID>
molecules-05-M145-s001-mod

>  <DOI>
10.3390/M145

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>  <MOL_ID>
molecules-05-M144-s001

>  <DOI>
10.3390/M144

$$$$

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>  <MOL_ID>
molecules-05-M144-s001-mod

>  <DOI>
10.3390/M144

$$$$

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>  <MOL_ID>
molecules-05-M143-s001

>  <DOI>
10.3390/M143

$$$$

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>  <MOL_ID>
molecules-05-M143-s001-mod

>  <DOI>
10.3390/M143

$$$$

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>  <MOL_ID>
molecules-05-M142-s001

>  <DOI>
10.3390/M142

$$$$

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>  <MOL_ID>
molecules-05-M142-s001-mod

>  <DOI>
10.3390/M142

$$$$

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>  <MOL_ID>
molecules-05-M141-s001

>  <DOI>
10.3390/M141

$$$$

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>  <MOL_ID>
molecules-05-M141-s001-mod

>  <DOI>
10.3390/M141

$$$$

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>  <MOL_ID>
molecules-05-M140-s001

>  <DOI>
10.3390/M140

$$$$

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>  <MOL_ID>
molecules-05-M140-s001-mod

>  <DOI>
10.3390/M140

$$$$

File : molecules-05-M138-s001.mol

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>  <MOL_ID>
molecules-05-M138-s001

>  <DOI>
10.3390/M138

$$$$

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>  <MOL_ID>
molecules-05-M138-s001-mod

>  <DOI>
10.3390/M138

$$$$

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M  END
>  <MOL_ID>
molecules-05-M137-s001

>  <DOI>
10.3390/M137

$$$$

File : molecules-05-M137-s001-mod.mol

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M  END
>  <MOL_ID>
molecules-05-M137-s001-mod

>  <DOI>
10.3390/M137

$$$$

File : molecules-05-M136-s001.mol

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M  END
>  <MOL_ID>
molecules-05-M136-s001

>  <DOI>
10.3390/M136

$$$$

File : molecules-05-M136-s001-mod.mol

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>  <MOL_ID>
molecules-05-M136-s001-mod

>  <DOI>
10.3390/M136

$$$$

File : molecules-05-M135-s001.mol

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M  END
>  <MOL_ID>
molecules-05-M135-s001

>  <DOI>
10.3390/M135

$$$$

File : molecules-05-M135-s001-mod.mol

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M  END
>  <MOL_ID>
molecules-05-M135-s001-mod

>  <DOI>
10.3390/M135

$$$$

File : molecules-05-M134-s001.mol

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>  <MOL_ID>
molecules-05-M134-s001

>  <DOI>
10.3390/M134

$$$$

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>  <MOL_ID>
molecules-05-M134-s001-mod

>  <DOI>
10.3390/M134

$$$$

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>  <MOL_ID>
molecules-05-M133-s001

>  <DOI>
10.3390/M133

$$$$

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>  <MOL_ID>
molecules-05-M133-s001-mod

>  <DOI>
10.3390/M133

$$$$

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molecules-05-M132-s001

>  <DOI>
10.3390/M132

$$$$

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>  <MOL_ID>
molecules-05-M132-s001-mod

>  <DOI>
10.3390/M132

$$$$

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>  <MOL_ID>
molecules-05-M131-s001

>  <DOI>
10.3390/M131

$$$$

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>  <MOL_ID>
molecules-05-M131-s001-mod

>  <DOI>
10.3390/M131

$$$$

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>  <MOL_ID>
molecules-05-M130-s001

>  <DOI>
10.3390/M130

$$$$

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>  <MOL_ID>
molecules-05-M130-s001-mod

>  <DOI>
10.3390/M130

$$$$

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>  <MOL_ID>
molecules-05-M129-s001

>  <DOI>
10.3390/M129

$$$$

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>  <DOI>
10.3390/M129

$$$$

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>  <MOL_ID>
molecules-05-M128-s001

>  <DOI>
10.3390/M128

$$$$

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>  <MOL_ID>
molecules-05-M128-s001-mod

>  <DOI>
10.3390/M128

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molecules-05-M127-s001

>  <DOI>
10.3390/M127

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>  <MOL_ID>
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>  <DOI>
10.3390/M127

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>  <MOL_ID>
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>  <DOI>
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>  <DOI>
10.3390/M275

$$$$

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>  <DOI>
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molecules-06-M274-s001-mod

>  <DOI>
10.3390/M274

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>  <MOL_ID>
molecules-06-M273-s001

>  <DOI>
10.3390/M273

$$$$

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>  <MOL_ID>
molecules-06-M273-s001-mod

>  <DOI>
10.3390/M273

$$$$

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>  <MOL_ID>
molecules-06-M272-s001

>  <DOI>
10.3390/M272

$$$$

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>  <DOI>
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$$$$

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molecules-06-M271-s001

>  <DOI>
10.3390/M271

$$$$

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>  <MOL_ID>
molecules-06-M271-s001-mod

>  <DOI>
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$$$$

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>  <MOL_ID>
molecules-06-M270-s001

>  <DOI>
10.3390/M270

$$$$

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>  <MOL_ID>
molecules-06-M270-s001-mod

>  <DOI>
10.3390/M270

$$$$

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>  <MOL_ID>
molecules-06-M269-s001

>  <DOI>
10.3390/M269

$$$$

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>  <DOI>
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molecules-06-M267-s001

>  <DOI>
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molecules-06-M267-s001-mod

>  <DOI>
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$$$$

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molecules-06-M266-s001

>  <DOI>
10.3390/M266

$$$$

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>  <MOL_ID>
molecules-06-M266-s001-mod

>  <DOI>
10.3390/M266

$$$$

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>  <MOL_ID>
molecules-06-M265-s001

>  <DOI>
10.3390/M265

$$$$

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>  <MOL_ID>
molecules-06-M265-s001-mod

>  <DOI>
10.3390/M265

$$$$

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>  <MOL_ID>
molecules-06-M264-s001

>  <DOI>
10.3390/M264

$$$$

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>  <MOL_ID>
molecules-06-M264-s001-mod

>  <DOI>
10.3390/M264

$$$$

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>  <MOL_ID>
molecules-06-M263-s001

>  <DOI>
10.3390/M263

$$$$

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>  <MOL_ID>
molecules-06-M263-s001-mod

>  <DOI>
10.3390/M263

$$$$

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>  <MOL_ID>
molecules-06-M262-s001

>  <DOI>
10.3390/M262

$$$$

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>  <MOL_ID>
molecules-06-M262-s001-mod

>  <DOI>
10.3390/M262

$$$$

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>  <MOL_ID>
molecules-06-M261-s001

>  <DOI>
10.3390/M261

$$$$

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>  <MOL_ID>
molecules-06-M261-s001-mod

>  <DOI>
10.3390/M261

$$$$

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>  <MOL_ID>
molecules-06-M260-s001

>  <DOI>
10.3390/M260

$$$$

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>  <MOL_ID>
molecules-06-M260-s001-mod

>  <DOI>
10.3390/M260

$$$$

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>  <MOL_ID>
molecules-06-M252-s001

>  <DOI>
10.3390/M252

$$$$

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>  <MOL_ID>
molecules-06-M252-s001-mod

>  <DOI>
10.3390/M252

$$$$

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>  <MOL_ID>
molecules-06-M251-s001

>  <DOI>
10.3390/M251

$$$$

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>  <MOL_ID>
molecules-06-M251-s001-mod

>  <DOI>
10.3390/M251

$$$$

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>  <MOL_ID>
molecules-06-M250-s001

>  <DOI>
10.3390/M250

$$$$

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>  <MOL_ID>
molecules-06-M250-s001-mod

>  <DOI>
10.3390/M250

$$$$

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>  <MOL_ID>
molecules-06-M249-s001

>  <DOI>
10.3390/M249

$$$$

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>  <MOL_ID>
molecules-06-M249-s001-mod

>  <DOI>
10.3390/M249

$$$$

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>  <MOL_ID>
molecules-06-M248-s001

>  <DOI>
10.3390/M248

$$$$

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>  <MOL_ID>
molecules-06-M248-s001-mod

>  <DOI>
10.3390/M248

$$$$

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>  <MOL_ID>
molecules-06-M247-s001

>  <DOI>
10.3390/M247

$$$$

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molecules-06-M247-s001-mod

>  <DOI>
10.3390/M247

$$$$

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molecules-06-M246-s001

>  <DOI>
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$$$$

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molecules-06-M246-s001-mod

>  <DOI>
10.3390/M246

$$$$

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molecules-06-M244-s001

>  <DOI>
10.3390/M244

$$$$

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>  <MOL_ID>
molecules-06-M244-s001-mod

>  <DOI>
10.3390/M244

$$$$

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>  <MOL_ID>
molecules-06-M243-s001

>  <DOI>
10.3390/M243

$$$$

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>  <MOL_ID>
molecules-06-M243-s001-mod

>  <DOI>
10.3390/M243

$$$$

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>  <DOI>
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molecules-06-M242-s001-mod

>  <DOI>
10.3390/M242

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molecules-06-M241-s001

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$$$$

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molecules-06-M241-s001-mod

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10.3390/M241

$$$$

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molecules-06-M240-s001

>  <DOI>
10.3390/M240

$$$$

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>  <MOL_ID>
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10.3390/M240

$$$$

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>  <MOL_ID>
molecules-06-M239-s001

>  <DOI>
10.3390/M239

$$$$

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molecules-06-M239-s001-mod

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10.3390/M239

$$$$

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>  <DOI>
10.3390/M238

$$$$

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10.3390/M238

$$$$

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>  <DOI>
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$$$$

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>  <DOI>
10.3390/M237

$$$$

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>  <MOL_ID>
molecules-06-M236-s001

>  <DOI>
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$$$$

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>  <MOL_ID>
molecules-06-M236-s001-mod

>  <DOI>
10.3390/M236

$$$$

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>  <MOL_ID>
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>  <DOI>
10.3390/M235

$$$$

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>  <MOL_ID>
molecules-06-M235-s001-mod

>  <DOI>
10.3390/M235

$$$$

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>  <MOL_ID>
molecules-06-M234-s001

>  <DOI>
10.3390/M234

$$$$

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>  <MOL_ID>
molecules-06-M234-s001-mod

>  <DOI>
10.3390/M234

$$$$

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>  <MOL_ID>
molecules-06-M233-s001

>  <DOI>
10.3390/M233

$$$$

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>  <MOL_ID>
molecules-06-M233-s001-mod

>  <DOI>
10.3390/M233

$$$$

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>  <MOL_ID>
molecules-06-M232-s001

>  <DOI>
10.3390/M232

$$$$

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>  <MOL_ID>
molecules-06-M232-s001-mod

>  <DOI>
10.3390/M232

$$$$

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>  <MOL_ID>
molecules-06-M231-s001

>  <DOI>
10.3390/M231

$$$$

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>  <MOL_ID>
molecules-06-M231-s001-mod

>  <DOI>
10.3390/M231

$$$$

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>  <MOL_ID>
molecules-06-M230-s001

>  <DOI>
10.3390/M230

$$$$

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>  <MOL_ID>
molecules-06-M230-s001-mod

>  <DOI>
10.3390/M230

$$$$

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>  <MOL_ID>
molecules-06-M229-s001

>  <DOI>
10.3390/M229

$$$$

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>  <DOI>
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>  <MOL_ID>
molecules-06-M228-s001

>  <DOI>
10.3390/M228

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>  <MOL_ID>
molecules-06-M228-s001-mod

>  <DOI>
10.3390/M228

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>  <MOL_ID>
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>  <DOI>
10.3390/M227

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>  <MOL_ID>
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>  <DOI>
10.3390/M227

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>  <MOL_ID>
molecules-06-M226-s001

>  <DOI>
10.3390/M226

$$$$

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molecules-06-M226-s001-mod

>  <DOI>
10.3390/M226

$$$$

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>  <MOL_ID>
molecules-06-M225-s001

>  <DOI>
10.3390/M225

$$$$

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>  <MOL_ID>
molecules-06-M225-s001-mod

>  <DOI>
10.3390/M225

$$$$

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>  <MOL_ID>
molecules-06-M224-s001

>  <DOI>
10.3390/M224

$$$$

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>  <MOL_ID>
molecules-06-M224-s001-mod

>  <DOI>
10.3390/M224

$$$$

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>  <MOL_ID>
molecules-06-M223-s001

>  <DOI>
10.3390/M223

$$$$

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>  <MOL_ID>
molecules-06-M223-s001-mod

>  <DOI>
10.3390/M223

$$$$

File : molecules-06-M221-s001.mol

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>  <MOL_ID>
molecules-06-M221-s001

>  <DOI>
10.3390/M221

$$$$

File : molecules-06-M221-s001-mod.mol

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>  <MOL_ID>
molecules-06-M221-s001-mod

>  <DOI>
10.3390/M221

$$$$

File : molecules-06-M220-s001.mol

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>  <MOL_ID>
molecules-06-M220-s001

>  <DOI>
10.3390/M220

$$$$

File : molecules-06-M220-s001-mod.mol

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>  <MOL_ID>
molecules-06-M220-s001-mod

>  <DOI>
10.3390/M220

$$$$

File : molecules-06-M219-s001.mol

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molecules-06-M219-s001-mod

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>  <MOL_ID>
molecules-06-M217-s001

>  <DOI>
10.3390/M217

$$$$

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>  <DOI>
10.3390/M217

$$$$

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molecules-06-M216-s001

>  <DOI>
10.3390/M216

$$$$

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>  <MOL_ID>
molecules-06-M216-s001-mod

>  <DOI>
10.3390/M216

$$$$

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>  <MOL_ID>
molecules-06-M215-s001

>  <DOI>
10.3390/M215

$$$$

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>  <MOL_ID>
molecules-06-M215-s001-mod

>  <DOI>
10.3390/M215

$$$$

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>  <MOL_ID>
molecules-06-M214-s001

>  <DOI>
10.3390/M214

$$$$

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>  <MOL_ID>
molecules-06-M214-s001-mod

>  <DOI>
10.3390/M214

$$$$

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>  <MOL_ID>
molecules-06-M213-s001

>  <DOI>
10.3390/M213

$$$$

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>  <MOL_ID>
molecules-06-M213-s001-mod

>  <DOI>
10.3390/M213

$$$$

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>  <MOL_ID>
molecules-06-M212-s001

>  <DOI>
10.3390/M212

$$$$

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>  <MOL_ID>
molecules-06-M212-s001-mod

>  <DOI>
10.3390/M212

$$$$

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>  <MOL_ID>
molecules-06-M211-s001

>  <DOI>
10.3390/M211

$$$$

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>  <MOL_ID>
molecules-06-M211-s001-mod

>  <DOI>
10.3390/M211

$$$$

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molecules-06-M210-s001

>  <DOI>
10.3390/M210

$$$$

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>  <MOL_ID>
molecules-06-M210-s001-mod

>  <DOI>
10.3390/M210

$$$$

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>  <MOL_ID>
molecules-06-M209-s001

>  <DOI>
10.3390/M209

$$$$

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>  <MOL_ID>
molecules-06-M209-s001-mod

>  <DOI>
10.3390/M209

$$$$

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>  <MOL_ID>
molecules-06-M208-s001

>  <DOI>
10.3390/M208

$$$$

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>  <MOL_ID>
molecules-06-M208-s001-mod

>  <DOI>
10.3390/M208

$$$$

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>  <MOL_ID>
molecules-06-M207-s001

>  <DOI>
10.3390/M207

$$$$

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>  <MOL_ID>
molecules-06-M207-s001-mod

>  <DOI>
10.3390/M207

$$$$

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>  <MOL_ID>
molecules-06-M206-s001

>  <DOI>
10.3390/M206

$$$$

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>  <MOL_ID>
molecules-06-M206-s001-mod

>  <DOI>
10.3390/M206

$$$$

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>  <MOL_ID>
molecules-06-M205-s001

>  <DOI>
10.3390/M205

$$$$

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>  <MOL_ID>
molecules-06-M205-s001-mod

>  <DOI>
10.3390/M205

$$$$

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>  <MOL_ID>
molecules-06-M204-s001

>  <DOI>
10.3390/M204

$$$$

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>  <MOL_ID>
molecules-06-M204-s001-mod

>  <DOI>
10.3390/M204

$$$$

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$$$$

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molecules-06-M203-s001-mod

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10.3390/M203

$$$$

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molecules-06-M202-s001

>  <DOI>
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$$$$

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$$$$

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>  <DOI>
10.3390/M201

$$$$

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10.3390/M201

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$$$$

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$$$$

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>  <MOL_ID>
molecules-06-M200-s001-mod

>  <DOI>
10.3390/M200

$$$$

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>  <MOL_ID>
molecules-06-M199-s001

>  <DOI>
10.3390/M199

$$$$

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>  <MOL_ID>
molecules-06-M199-s001-mod

>  <DOI>
10.3390/M199

$$$$

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>  <MOL_ID>
molecules-06-M198-s001

>  <DOI>
10.3390/M198

$$$$

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>  <MOL_ID>
molecules-06-M198-s001-mod

>  <DOI>
10.3390/M198

$$$$

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>  <MOL_ID>
molecules-06-M197-s001

>  <DOI>
10.3390/M197

$$$$

File : molecules-06-M197-s001-mod.mol

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>  <MOL_ID>
molecules-06-M197-s001-mod

>  <DOI>
10.3390/M197

$$$$

File : molecules-06-M196-s001.mol

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>  <MOL_ID>
molecules-06-M196-s001

>  <DOI>
10.3390/M196

$$$$

File : molecules-06-M196-s001-mod.mol

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>  <MOL_ID>
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>  <DOI>
10.3390/M196

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>  <MOL_ID>
molecules-06-M195-s001

>  <DOI>
10.3390/M195

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>  <MOL_ID>
molecules-06-M195-s001-mod

>  <DOI>
10.3390/M195

$$$$

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>  <MOL_ID>
molecules-06-M194-s001

>  <DOI>
10.3390/M194

$$$$

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>  <MOL_ID>
molecules-06-M194-s001-mod

>  <DOI>
10.3390/M194

$$$$

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M  END
>  <MOL_ID>
molecules-06-M193-s001

>  <DOI>
10.3390/M193

$$$$

File : molecules-06-M193-s001-mod.mol

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M  END
>  <MOL_ID>
molecules-06-M193-s001-mod

>  <DOI>
10.3390/M193

$$$$
