
     RDKit          2D

 52 58  0  0  0  0  0  0  0  0999 V2000
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    1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000    2.5981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -7.7942    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -9.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -9.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.8971    0.0000 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  5 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 15 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 31 41  2  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 41 51  1  0
 51 52  2  0
 52  2  1  0
 26  3  1  0
 52 29  1  0
 14  9  1  0
 24 19  1  0
 40 35  1  0
 50 45  1  0
M  END
>  <DATASOURCE_REGID>  (1) 
UALIB-2877

>  <SMILES_RDKIT_2019.09.2>  (1) 
CC1=C2C=C(SCCC3=CC=NC=C3)C(SCCC3=CC=NC=C3)=CC2=C(C)C2=CC(SCCC3=CC=NC=C3)=C(SCCC3=CC=NC=C3)C=C12

>  <INCHI_1.05_RDKIT_2019.09.2>  (1) 
InChI=1S/C44H42N4S4/c1-31-37-27-41(49-23-11-33-3-15-45-16-4-33)43(51-25-13-35-7-19-47-20-8-35)29-39(37)32(2)40-30-44(52-26-14-36-9-21-48-22-10-36)42(28-38(31)40)50-24-12-34-5-17-46-18-6-34/h3-10,15-22,27-30H,11-14,23-26H2,1-2H3

>  <SUBSTANCE_COMMENT>  (1) 
Dye, G.W. Synthesis and characterization of semiconductors via two routes: coordination frameworks and metal organic frameworks. M.S. Thesis, The University of Alabama, 2012.

>  <SUBSTANCE_URL>  (1) 
https://ir.ua.edu/handle/123456789/1384

$$$$

     RDKit          2D

 76 78  0  0  0  0  0  0  0  0999 V2000
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    0.0000    7.6962    0.0000 B   0  0  0  0  0  4  0  0  0  0  0  0
   -1.5000    7.6962    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1962    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    6.1962    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7500    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500    0.0000    0.0000 B   0  0  0  0  0  4  0  0  0  0  0  0
   10.7500    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   11.6962    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6962    0.0000 B   0  0  0  0  0  4  0  0  0  0  0  0
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   17.7500    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 25 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 43 45  1  0
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 36 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 49 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 60 61  1  0
 60 62  1  0
 62 63  2  0
 53 64  2  0
 64 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  1  0
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 69 70  1  0
 70 71  2  0
 71 72  1  0
 71 73  1  0
 73 74  2  0
 64 75  1  0
 75 76  2  0
 76 22  1  0
 48 23  1  0
 76 51  1  0
 35 29  1  0
 46 40  1  0
 63 57  1  0
 74 68  1  0
M  CHG  8   2  -1   7  -1  12  -1  17  -1  32   1  43   1  60   1  71   1
M  END
>  <DATASOURCE_REGID>  (2) 
UALIB-2878

>  <SMILES_RDKIT_2019.09.2>  (2) 
CC1=C2C=C(SCCC3=CC=[N+](C)C=C3)C(SCCC3=CC=[N+](C)C=C3)=CC2=C(C)C2=CC(SCCC3=CC=[N+](C)C=C3)=C(SCCC3=CC=[N+](C)C=C3)C=C12.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

>  <INCHI_1.05_RDKIT_2019.09.2>  (2) 
InChI=1S/C48H54N4S4.4BF4/c1-35-41-31-45(53-27-15-37-7-19-49(3)20-8-37)47(55-29-17-39-11-23-51(5)24-12-39)33-43(41)36(2)44-34-48(56-30-18-40-13-25-52(6)26-14-40)46(32-42(35)44)54-28-16-38-9-21-50(4)22-10-38;4*2-1(3,4)5/h7-14,19-26,31-34H,15-18,27-30H2,1-6H3;;;;/q+4;4*-1

>  <SUBSTANCE_COMMENT>  (2) 
Dye, G.W. Synthesis and characterization of semiconductors via two routes: coordination frameworks and metal organic frameworks. M.S. Thesis, The University of Alabama, 2012.

>  <SUBSTANCE_URL>  (2) 
https://ir.ua.edu/handle/123456789/1384

$$$$

     RDKit          2D

 36 36  0  0  0  0  0  0  0  0999 V2000
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    2.4510   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500   -3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000   -2.5981    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000   -1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0490    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  7 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
 13 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 19 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 25 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 31  6  1  0
M  END
>  <DATASOURCE_REGID>  (3) 
UALIB-2879

>  <SMILES_RDKIT_2019.09.2>  (3) 
CC(C)(C)[Se]C1=C([Se]C(C)(C)C)C([Se]C(C)(C)C)=C([Se]C(C)(C)C)C([Se]C(C)(C)C)=C1[Se]C(C)(C)C

>  <INCHI_1.05_RDKIT_2019.09.2>  (3) 
InChI=1S/C30H54Se6/c1-25(2,3)31-19-20(32-26(4,5)6)22(34-28(10,11)12)24(36-30(16,17)18)23(35-29(13,14)15)21(19)33-27(7,8)9/h1-18H3

>  <SUBSTANCE_COMMENT>  (3) 
Dye, G.W. Synthesis and characterization of semiconductors via two routes: coordination frameworks and metal organic frameworks. M.S. Thesis, The University of Alabama, 2012.

>  <SUBSTANCE_URL>  (3) 
https://ir.ua.edu/handle/123456789/1384

$$$$
