
  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.1825    0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0001HI

>  <Chemical_Name>
2-Thiophenecarbonitrile

>  <CAS_Number>
1003-31-2

$$$$

  -INDIGO-08032105172D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.4617   -0.6508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0001HU

>  <Chemical_Name>
Thiophene, 2-bromo-

>  <CAS_Number>
1003-09-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0001XY

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-fluoro-, methyl ester

>  <CAS_Number>
100421-52-1

$$$$

  -INDIGO-08032105172D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -6.0975    0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0269   -0.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4618   -0.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9674    1.1578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239   -3.1179    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383   -3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1492   -2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    4.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    5.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 14  4  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 23  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0004JA

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-[[[2-methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-, methyl ester

>  <CAS_Number>
1014691-61-2

$$$$

  -INDIGO-08032105172D

 28 31  0  0  1  0  0  0  0  0999 V2000
   -4.6951   -0.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007    0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2713    1.7127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8363    1.3801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3308   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2601   -1.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8958   -0.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9069    2.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4720    2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6610    3.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0466    2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7140    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1228    0.7748    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356    0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -3.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    4.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    4.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    2.5889    0.0000 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
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 17  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 16  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 23  4  0  0  0  0
M  END
>  <Catalog_Number>
AG000U99

>  <Chemical_Name>
2-Thiophenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-

>  <CAS_Number>
130309-35-2

$$$$

  -INDIGO-08032105172D

  9  8  0  0  1  0  0  0  0  0999 V2000
    4.7743    3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    1.5529    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5323    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    0.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  2  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000UNK

>  <Chemical_Name>
2-Thiophenemethanamine, α-methyl-, hydrochloride (1:1), (αS)-

>  <CAS_Number>
1305712-32-6

$$$$

  -INDIGO-08032105172D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00101G

>  <Chemical_Name>
Dibenzothiophene

>  <CAS_Number>
132-65-0

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0013VL

>  <Chemical_Name>
3-Thiopheneethanol

>  <CAS_Number>
13781-67-4

$$$$

  -INDIGO-08032105172D

 18 18  0  0  0  0  0  0  0  0999 V2000
  -16.5366    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0749    2.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7805    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3188    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 13  4  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001A9R

>  <Chemical_Name>
Thiophene, 2-bromo-3-dodecyl-

>  <CAS_Number>
139100-06-4

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    2.2158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001HXX

>  <Chemical_Name>
Thieno[3,4-b]thiophene-2-carboxylic acid, 3-fluoro-4,6-dihydro-, methyl ester

>  <CAS_Number>
1422007-52-0

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.4000    1.3856    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001I5E

>  <Chemical_Name>
Benzo[b]thiophene, 7-bromo-

>  <CAS_Number>
1423-61-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001X0H

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4-bromo-

>  <CAS_Number>
16694-18-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001X0I

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 4-bromo-

>  <CAS_Number>
16694-17-0

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001YYE

>  <Chemical_Name>
Benzo[b]thiophene, 6-bromo-

>  <CAS_Number>
17347-32-9

$$$$

  -INDIGO-08032105172D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -7.9743    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5127    2.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5893    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566   -1.7405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 13  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
>  <Catalog_Number>
AG001ZFS

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-amino-4-methyl-5-(4-nitrophenyl)-, ethyl ester

>  <CAS_Number>
174072-89-0

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00215F

>  <Chemical_Name>
Thiophene, 3-methoxy-

>  <CAS_Number>
17573-92-1

$$$$

  -INDIGO-08032105172D

 32 36  0  0  1  0  0  0  0  0999 V2000
   -4.6951   -0.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007    0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2713    1.7127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8363    1.3801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3308   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2601   -1.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8958   -0.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9069    2.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4720    2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1228    0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7140    0.9420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0466    2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6610    3.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6610    4.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0466    5.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4323    4.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4323    3.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356    0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -3.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    4.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    4.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    2.5889    0.0000 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
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 21  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 20  1  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 27  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0025OD

>  <Chemical_Name>
Benzo[b]thiophene-3-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-

>  <CAS_Number>
177966-60-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0028NA

>  <Chemical_Name>
2-Thiophenecarbothioamide

>  <CAS_Number>
20300-02-1

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG002CE6

>  <Chemical_Name>
Benzo[b]thiophene, 6-nitro-, 1,1-dioxide

>  <CAS_Number>
19983-44-9

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG002GKV

>  <Chemical_Name>
2-Thiophenecarboxaldehyde, 4-bromo-

>  <CAS_Number>
18791-75-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG002GQE

>  <Chemical_Name>
2-Thiophenecarboxaldehyde, 4-iodo-

>  <CAS_Number>
18812-38-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.1825    0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    2.1383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <Catalog_Number>
AG002GYF

>  <Chemical_Name>
2,5-Thiophenedicarbonitrile

>  <CAS_Number>
18853-40-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002HLE

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-iodo-

>  <CAS_Number>
18895-00-6

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.2178   -0.3611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002JYR

>  <Chemical_Name>
2-Thiopheneacetonitrile

>  <CAS_Number>
20893-30-5

$$$$

  -INDIGO-08032105172D

  8  9  0  0  0  0  0  0  0  0999 V2000
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002QHM

>  <Chemical_Name>
Thieno[3,2-b]Thiophene

>  <CAS_Number>
251-41-2

$$$$

  -INDIGO-08032105172D

  9 10  0  0  0  0  0  0  0  0999 V2000
   -2.8161    0.4460    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002QJY

>  <Chemical_Name>
Thieno[3,2-b]thiophene, 3-bromo-

>  <CAS_Number>
25121-83-9

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002UNU

>  <Chemical_Name>
2-Thiophenemethanamine

>  <CAS_Number>
27757-85-3

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002ZR9

>  <Chemical_Name>
Thiophene, 3-bromo-2-methyl-

>  <CAS_Number>
30319-05-2

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002ZRB

>  <Chemical_Name>
Thiophene, 3-bromo-4-methyl-

>  <CAS_Number>
30318-99-1

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.2754    3.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3781    2.1412    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0032VX

>  <Chemical_Name>
2-(trifluoromethyl)thiophene-3-carboxylicacid

>  <CAS_Number>
767337-58-6

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
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   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8595    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6156    0.8975    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4884   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
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  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
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 13 14  4  0  0  0  0
 14  8  4  0  0  0  0
 14 15  4  0  0  0  0
 15  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00332C

>  <Chemical_Name>
2,8-Dibromodibenzothiophene

>  <CAS_Number>
31574-87-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003355

>  <Chemical_Name>
2-Bromo-3-thiophenecarboxylic acid

>  <CAS_Number>
24287-95-4

$$$$

  -INDIGO-08032105172D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.4617   -0.6508    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0033FZ

>  <Chemical_Name>
2-Chlorothiophene

>  <CAS_Number>
96-43-5

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0033G0

>  <Chemical_Name>
2-Thiopheneethanol

>  <CAS_Number>
5402-55-1

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0033I9

>  <Chemical_Name>
3,4-Dibromothiophene

>  <CAS_Number>
3141-26-2

$$$$

  -INDIGO-08032105172D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.4617   -0.6508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0033N5

>  <Chemical_Name>
3-Bromothiophene

>  <CAS_Number>
872-31-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0033R4

>  <Chemical_Name>
3-Methyl-2-Thiophenecarboxylic Acid

>  <CAS_Number>
23806-24-8

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0033S9

>  <Chemical_Name>
3-Thiophenecarboxaldehyde

>  <CAS_Number>
498-62-4

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0033SA

>  <Chemical_Name>
Thiophene-3-carboxylic acid

>  <CAS_Number>
88-13-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0033V7

>  <Chemical_Name>
4,5-Dichlorothiophene-2-carboxylic acid

>  <CAS_Number>
31166-29-7

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003475

>  <Chemical_Name>
5-Bromobenzo[b]thiophene

>  <CAS_Number>
4923-87-9

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1235   -0.3710    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00349C

>  <Chemical_Name>
5-Chlorothiophene-2-carbaldehyde

>  <CAS_Number>
7283-96-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00349D

>  <Chemical_Name>
5-Chlorothiophene-2-Carboxylic Acid

>  <CAS_Number>
24065-33-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0034AY

>  <Chemical_Name>
5-Methylthiophene-2-Boronic Acid

>  <CAS_Number>
162607-20-7

$$$$

  -INDIGO-08032105172D

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -4.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1323   -3.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -3.9603    0.0000 S   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11  2  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0034HT

>  <Chemical_Name>
Benzo[1,2-b:4,5-b′]dithiophene-4,8-dione

>  <CAS_Number>
32281-36-0

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00355S

>  <Chemical_Name>
Methyl 2-aminothiophene-3-carboxylate

>  <CAS_Number>
4651-81-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00356J

>  <Chemical_Name>
Methyl 3-amino-2-thiophenecarboxylate

>  <CAS_Number>
22288-78-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.2178    0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00357B

>  <Chemical_Name>
Methyl 4-aminothiophene-2-carboxylate

>  <CAS_Number>
89499-43-4

$$$$

  -INDIGO-08032105172D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8809    3.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4880    0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6552    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8609    4.1397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8552    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00357C

>  <Chemical_Name>
Methyl 4-aminothiophene-3-carboxylate hydrochloride

>  <CAS_Number>
39978-14-8

$$$$

  -INDIGO-08032105172D

 29 32  0  0  1  0  0  0  0  0999 V2000
    0.4460    2.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4000    2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566   -1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2182   -1.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5127   -2.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3454   -3.6214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9743   -1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3070    0.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8982    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5490   -1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -2.1793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1141   -1.4414    0.0000 Cl  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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  2  0  0  0  0
  4 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 24  4  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0035KL

>  <Chemical_Name>
5-Chloro-N-[[(S)-3-(4-(3-oxomorpholin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-thiophene-2-carboxamide

>  <CAS_Number>
366789-02-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  2  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0035P1

>  <Chemical_Name>
Thiophene-2-Boronic Acid

>  <CAS_Number>
6165-68-0

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0852    2.9295    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0035T9

>  <Chemical_Name>
2,2':5',2''-Terthiophene

>  <CAS_Number>
1081-34-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Catalog_Number>
AG0035UH

>  <Chemical_Name>
methyl 4-oxotetrahydrothiophene-3-carboxylate

>  <CAS_Number>
2689-68-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00360R

>  <Chemical_Name>
3-Bromothiophene-2-carboxylic acid

>  <CAS_Number>
7311-64-0

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0036QL

>  <Chemical_Name>
2,5-dibromo-thiophene-3-carboxylic acid

>  <CAS_Number>
7311-70-8

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0036Z7

>  <Chemical_Name>
2,5-Dimethylthiophene

>  <CAS_Number>
638-02-8

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.4000    1.3856    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003749

>  <Chemical_Name>
4-Bromobenzo[b]thiophene

>  <CAS_Number>
5118-13-8

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1321    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003760

>  <Chemical_Name>
Ethyl-2-amino-4-phenylthiophene-3-carboxylate

>  <CAS_Number>
4815-36-5

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0037PM

>  <Chemical_Name>
3,4,5-tribromo-2-Thiophenecarboxylic acid

>  <CAS_Number>
53317-05-8

$$$$

  -INDIGO-08032105172D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725    1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    2.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    0.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
 13 14  4  0  0  0  0
 14  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0037SL

>  <Chemical_Name>
2-Bromodibenzothiophene

>  <CAS_Number>
22439-61-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1235   -0.3710    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG0037UQ

>  <Chemical_Name>
5-Bromo-2-thiophenecarboxaldehyde

>  <CAS_Number>
4701-17-1

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00380S

>  <Chemical_Name>
Methyl 3-amino-4-bromothiophene-2-carboxylate

>  <CAS_Number>
161833-42-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00387B

>  <Chemical_Name>
Ethyl 2-methylthiophene-3-carboxylate

>  <CAS_Number>
19432-66-7

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2158    1.7943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00387P

>  <Chemical_Name>
2-bromothiophene-3-carbaldehyde

>  <CAS_Number>
1860-99-7

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0038H2

>  <Chemical_Name>
5-Fluorobenzo[b]thiophene-2-carboxylic acid

>  <CAS_Number>
70060-13-8

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.4000    1.3856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0038JP

>  <Chemical_Name>
7-Chlorobenzo[b]thiophene

>  <CAS_Number>
90407-14-0

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0038LK

>  <Chemical_Name>
3-Thiopheneboronic acid

>  <CAS_Number>
6165-69-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0038M2

>  <Chemical_Name>
3-Chlorothiophene-2-carboxylic acid

>  <CAS_Number>
59337-89-2

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0038RT

>  <Chemical_Name>
Methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate

>  <CAS_Number>
395664-58-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
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  5  6  4  0  0  0  0
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  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00391N

>  <Chemical_Name>
5-Cyanothiophene-2-carboxaldehyde

>  <CAS_Number>
21512-16-3

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0039F1

>  <Chemical_Name>
5-Bromo-1-Benzothiophene-2-Carboxylic Acid

>  <CAS_Number>
7312-10-9

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -9.0320    2.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5103    3.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
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  5  6  4  0  0  0  0
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  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12  8  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003A4O

>  <Chemical_Name>
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde

>  <CAS_Number>
1040281-83-1

$$$$

  -INDIGO-08032105172D

 14 16  0  0  0  0  0  0  0  0999 V2000
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   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1940    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003AE8

>  <Chemical_Name>
3-Bromodibenzothiophene

>  <CAS_Number>
97511-04-1

$$$$

  -INDIGO-08032105172D

 31 37  0  0  0  0  0  0  0  0999 V2000
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  1  2  4  0  0  0  0
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 10 11  4  0  0  0  0
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 12  7  4  0  0  0  0
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 14  4  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
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 18 13  4  0  0  0  0
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 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
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 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
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 26 27  4  0  0  0  0
 27 23  4  0  0  0  0
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 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 26  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003AT6

>  <Chemical_Name>
4-(2-triphenylenyl)-dibenzothiophene

>  <CAS_Number>
1115639-86-5

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -6.6546   -2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
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  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003B9F

>  <Chemical_Name>
2-Pentylthiophene

>  <CAS_Number>
4861-58-9

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    1.0218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003FA3

>  <Chemical_Name>
2,2'-Bithiophene

>  <CAS_Number>
492-97-7

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FWW

>  <Chemical_Name>
2,5-Dibromothiophene

>  <CAS_Number>
3141-27-3

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003G1F

>  <Chemical_Name>
Thiophene-2,5-dicarboxylic acid

>  <CAS_Number>
4282-31-9

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003GN6

>  <Chemical_Name>
2-Bromo-3-methylthiophene

>  <CAS_Number>
14282-76-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG003GN8

>  <Chemical_Name>
2-Bromo-3-nitrothiophene

>  <CAS_Number>
2161-96-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003HY8

>  <Chemical_Name>
Thiophene-2-carboxylic acid

>  <CAS_Number>
527-72-0

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003IEH

>  <Chemical_Name>
3,4,5-Trichlorothiophene-2-carboxylic acid

>  <CAS_Number>
26020-48-4

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161   -0.4460    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003IQB

>  <Chemical_Name>
3,6-Dibromothieno[3,2-b]thiophene

>  <CAS_Number>
392662-65-6

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003IVZ

>  <Chemical_Name>
Methyl 3-amino-4-methylthiophene-2-carboxylate

>  <CAS_Number>
85006-31-1

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003J5D

>  <Chemical_Name>
3-Bromothiophene-2-carboxaldehyde

>  <CAS_Number>
930-96-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6621   -0.8000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <Catalog_Number>
AG003LCM

>  <Chemical_Name>
4-ethynylthiophene-2-carbaldehyde

>  <CAS_Number>
913828-75-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003ML7

>  <Chemical_Name>
5-Bromothiophene-2-carboxylic acid

>  <CAS_Number>
7311-63-9

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003MU9

>  <Chemical_Name>
5-Methoxycarbonylthiophene-2-boronic acid

>  <CAS_Number>
876189-21-8

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.8000    2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    2.5747    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003PBH

>  <Chemical_Name>
Dibenzo[b,d]thiophene-4-carbaldehyde

>  <CAS_Number>
23985-81-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RSJ

>  <Chemical_Name>
Methyl 3-hydroxythiophene-2-carboxylate

>  <CAS_Number>
5118-06-9

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003RVA

>  <Chemical_Name>
Methyl 4-fluorobenzo[b]thiophene-2-carboxylate

>  <CAS_Number>
220180-55-2

$$$$

  -INDIGO-08032105172D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.4578    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    3.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1184    2.2596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2596   -0.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3781    2.1412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998    1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271   -3.8070    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RXM

>  <Chemical_Name>
Methyl 5-chloro-3-(N-methylsulfamoyl)thiophene-2-carboxylate

>  <CAS_Number>
70374-37-7

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.7323   -1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650    0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  2  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003URU

>  <Chemical_Name>
Benzo[b]thiophene 1,1-dioxide

>  <CAS_Number>
825-44-5

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.8967   -0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003US2

>  <Chemical_Name>
Thieno[3,2-b]thiophene-2-carbaldehyde

>  <CAS_Number>
31486-86-9

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837    3.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    3.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003USN

>  <Chemical_Name>
Thiophene-3,4-dicarboxylic acid

>  <CAS_Number>
4282-29-5

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.3850   -1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233   -1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005D3N

>  <Chemical_Name>
N,N-Diethylthiophene-3-carboxamide

>  <CAS_Number>
73540-75-7

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
  -10.8117    1.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2467    2.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1761    0.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6705   -0.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6110    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9602    2.6537    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690    2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4220    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -3.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005Q0M

>  <Chemical_Name>
METHYL4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
709648-80-6

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0074YY

>  <Chemical_Name>
Methyl 2-amino-5-methylthiophene-3-carboxylate

>  <CAS_Number>
19369-53-0

$$$$

  -INDIGO-08032105172D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -5.4830    1.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0973    0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301   -0.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998    1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671    3.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454    3.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529   -2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
  8 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007EXW

>  <Chemical_Name>
6H-Cyclopenta[b]thiophene, 2,5-dimethyl-3-phenyl-

>  <CAS_Number>
345306-43-6

$$$$

  -INDIGO-08032105172D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.3649    0.6690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036   -1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892   -1.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892   -3.4617    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0748   -1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0748    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892    2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 14  4  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007I36

>  <Chemical_Name>
2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

>  <CAS_Number>
1030825-20-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG007N9V

>  <Chemical_Name>
3-Bromo-2-nitrothiophene

>  <CAS_Number>
24430-27-1

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007UDR

>  <Chemical_Name>
Ethyl 5-bromothiophene-3-carboxylate

>  <CAS_Number>
170355-38-1

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.6070    2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967   -0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG007W3G

>  <Chemical_Name>
Thieno[3,2-b]thiophene-2-carboxylic acid

>  <CAS_Number>
1723-27-9

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0084A0

>  <Chemical_Name>
Methyl 3-amino-5-bromothiophene-2-carboxylate

>  <CAS_Number>
107818-55-3

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6156    0.8975    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  8  4  0  0  0  0
 14 15  4  0  0  0  0
 15  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG008Y0P

>  <Chemical_Name>
2-Bromo-8-iododibenzothiophene

>  <CAS_Number>
1206544-88-8

$$$$

  -INDIGO-08032105172D

 17 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    5.3599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289    3.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    2.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0906    3.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4762    3.9179    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4233    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3526    0.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8145    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2303    3.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3009    1.9909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7247    4.7017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2898    5.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4898    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2107    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  4  10  -1  11  -1  16   1  17   1
M  END
>  <Catalog_Number>
AG008Z6R

>  <Chemical_Name>
2,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, 2,5-dimethyl ester, sodium salt

>  <CAS_Number>
108199-25-3

$$$$

  -INDIGO-08032105172D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9865    0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0094BA

>  <Chemical_Name>
3,4-Diethyl 2-aMinothiophene-3,4-dicarboxylate

>  <CAS_Number>
104680-25-3

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.7713    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00BF4Z

>  <Chemical_Name>
Thiophene, 2-(2-fluorophenyl)-

>  <CAS_Number>
209592-45-0

$$$$

  -INDIGO-08032105172D

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.4000    4.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    4.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -1.1890    0.0000 S   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
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11  2  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00BJPW

>  <Chemical_Name>
Benzo[2,1-b:3,4-b']dithiophene-4,5-dione

>  <CAS_Number>
24243-32-1

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2158    1.7943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BXVE

>  <Chemical_Name>
2-Chloro-3-bromomethylthiophene

>  <CAS_Number>
40032-81-3

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00BZSH

>  <Chemical_Name>
benzo[b]thiophene-4-ol

>  <CAS_Number>
3610-02-4

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00CM0L

>  <Chemical_Name>
3-BROMO-5-CHLOROBENZO[B]THIOPHENE

>  <CAS_Number>
32969-26-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D8YN

>  <Chemical_Name>
2-Methyl-3-thiophenecarboxylic  acid  methyl  ester

>  <CAS_Number>
53562-51-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00ECC8

>  <Chemical_Name>
5-Bromo-thiophene-2-carboxylic acid methyl ester

>  <CAS_Number>
62224-19-5

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00ECEV

>  <Chemical_Name>
Thiophene, 2-(3-fluorophenyl)-

>  <CAS_Number>
58861-49-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.2178    0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EFUC

>  <Chemical_Name>
Methyl 4-bromothiophene-2-carboxylate

>  <CAS_Number>
62224-16-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.5122   -0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2178    0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00F55A

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4-broMo-, ethyl ester

>  <CAS_Number>
62224-17-3

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00G9IQ

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 4-amino-5-methyl-, methyl ester

>  <CAS_Number>
81528-48-5

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5541    2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    1.0218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    1.1710    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I8RA

>  <Chemical_Name>
2,2'-Bithiophene, 5,5'-dibromo-

>  <CAS_Number>
4805-22-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I997

>  <Chemical_Name>
Thiophene, 3,4-dimethoxy-

>  <CAS_Number>
51792-34-8

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00OF6U

>  <Chemical_Name>
3,5-dichlorothiophene-2-carboxylic acid

>  <CAS_Number>
89166-94-9

$$$$

  -INDIGO-08032105172D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -9.0197   -1.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6704    0.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2617    0.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0617    1.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6267    1.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7940    0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3323   -0.5942    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7300    1.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1387    1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4880    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967   -0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6070    2.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1983    2.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617    3.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00RARH

>  <Chemical_Name>
N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiophene-2-carboxamide

>  <CAS_Number>
2246652-82-2

$$$$

  -INDIGO-08032105172D

 34 36  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036   -1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892   -1.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0748   -1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0748    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4605    1.3382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8461    0.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4605    2.9382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4605   -1.8618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -2.8473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0897   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4389   -5.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794   -6.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9706   -6.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214   -5.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809   -3.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317   -2.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9825   -1.0512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -2.3456    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -3.8073    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 14  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 25  4  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  CHG  2  20   1  22  -1
M  END
>  <Catalog_Number>
AG01CLVD

>  <Chemical_Name>
ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate

>  <CAS_Number>
680212-25-3

$$$$

  -INDIGO-08032105172D

 17 17  0  0  0  0  0  0  0  0999 V2000
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9233   -1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3850   -1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5523   -3.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0139   -4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DX82

>  <Chemical_Name>
2-(2-Butyloctyl)thiophene

>  <CAS_Number>
1271438-65-3

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3138    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4811   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0461   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8461   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7755    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 13  4  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01FSHU

>  <Chemical_Name>
(3-((thiophene-2-carboxamido)methyl)phenyl)boronic acid

>  <CAS_Number>
2246751-27-7

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
  7 12  2  0  0  0  0
 12  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01JVSF

>  <Chemical_Name>
3-​bromo-​5-​tert-​butyl-​1-​benzothiophene

>  <CAS_Number>
1780644-81-6

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.6653    3.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036    2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3308   -0.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 11  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0000TB

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-amino-5-phenyl-, methyl ester

>  <CAS_Number>
100063-22-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0001CK

>  <Chemical_Name>
3-Thiophenecarboxamide, 4-bromo-

>  <CAS_Number>
100245-61-2

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.8809   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    1.0218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721   -2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0001OP

>  <Chemical_Name>
2-Thiophenesulfonamide, N-(1,1-dimethylethyl)-

>  <CAS_Number>
100342-30-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00029A

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 5-bromo-

>  <CAS_Number>
100523-84-0

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0002EB

>  <Chemical_Name>
Benzo[b]thiophene-4-carboxylic acid, methyl ester

>  <CAS_Number>
100590-43-0

$$$$

  -INDIGO-08032105172D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -0.0621    4.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  2  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG000463

>  <Chemical_Name>
Dibenzothiophene, 5-oxide

>  <CAS_Number>
1013-23-6

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.5426    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00048T

>  <Chemical_Name>
Benzo[b]thiophene-5-carbaldehyde

>  <CAS_Number>
10133-30-9

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.0000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00048U

>  <Chemical_Name>
Benzo[b]thiophene-4-carboxaldehyde

>  <CAS_Number>
10133-25-2

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.0000    1.3856    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00048V

>  <Chemical_Name>
Benzo[b]thiophene, 7-(bromomethyl)-

>  <CAS_Number>
10133-24-1

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.7713    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0004AC

>  <Chemical_Name>
Benzo[b]thiophene-4-carboxylic acid

>  <CAS_Number>
10134-95-9

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -1.2944    0.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6706   -3.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -3.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2178   -0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505   -2.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889   -3.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11  2  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0004YC

>  <Chemical_Name>
Dibenzothiophene, 5,5-dioxide

>  <CAS_Number>
1016-05-3

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.7541   -0.7380    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0007GA

>  <Chemical_Name>
Benzo[b]thiophene, 3-bromo-2-methyl-

>  <CAS_Number>
10243-15-9

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.6070    2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967   -0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943   -2.2158    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.3831    3.3856    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0007JE

>  <Chemical_Name>
Thieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-

>  <CAS_Number>
1024594-86-2

$$$$

  -INDIGO-08032105172D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -9.6995    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3138    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -2.6706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383   -4.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -3.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3095    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0851   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4708   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16  8  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 15  4  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 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
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000BKK

>  <Chemical_Name>
Benzo[1,2-b:4,5-b']dithiophene, 4,8-bis[(2-ethylhexyl)oxy]-

>  <CAS_Number>
1160823-77-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -6.6546   -2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  5 11  1  1  0  0  0
M  END
>  <Catalog_Number>
AG000CPX

>  <Chemical_Name>
2-Thiophenemethanol, α-[2-(methylamino)ethyl]-, (αR)-

>  <CAS_Number>
116539-57-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -6.6546   -2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  5 11  1  6  0  0  0
M  END
>  <Catalog_Number>
AG000CPZ

>  <Chemical_Name>
2-Thiophenemethanol, α-[2-(methylamino)ethyl]-, (αS)-

>  <CAS_Number>
116539-55-0

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -3.6161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000DFS

>  <Chemical_Name>
Thiophene, 2,5-dibromo-3-hexyl-

>  <CAS_Number>
116971-11-0

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000DFT

>  <Chemical_Name>
Thiophene, 2,5-dibromo-3-butyl-

>  <CAS_Number>
116971-10-9

$$$$

  -INDIGO-08032105172D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8958    1.7943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.0958    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000DTT

>  <Chemical_Name>
2-Thiophenemethanamine, 4-bromo-, hydrochloride (1:1)

>  <CAS_Number>
1171697-10-1

$$$$

  -INDIGO-08032105172D

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8967    0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG000GB5

>  <Chemical_Name>
3-Thiophenemethanamine, hydrochloride (1:1)

>  <CAS_Number>
115132-84-8

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000IE8

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 3-amino-4,5,6,7-tetrahydro-, methyl ester

>  <CAS_Number>
119205-38-8

$$$$

  -INDIGO-08032105172D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -8.6075   -2.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0163   -2.7196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3655   -1.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3060    0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6552    1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640    1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617   -0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426   -3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 14  4  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000IN9

>  <Chemical_Name>
Thiophene, 2-(4-methoxy-3-methylphenyl)-5-(3-methoxyphenyl)-

>  <CAS_Number>
1193525-42-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  1  0  0  0  0  0999 V2000
    1.8809   -2.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  4 10  1  6  0  0  0
M  END
>  <Catalog_Number>
AG000IPE

>  <Chemical_Name>
3-Thiopheneacetic acid, α-amino-, (αS)-

>  <CAS_Number>
1194-87-2

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG000IVV

>  <Chemical_Name>
Benzo[b]thiophene, 2-methyl-

>  <CAS_Number>
1195-14-8

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000KJV

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-bromo-4-chloro-

>  <CAS_Number>
123418-69-9

$$$$

  -INDIGO-08032105172D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -4.2330    2.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2330    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6186   -0.1492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0042    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0042    2.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3899   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3899    1.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473   -0.1492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8543   -2.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564   -2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4706    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706    3.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    3.9603    0.0000 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  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000LFT

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,5,6,7-tetrahydro-

>  <CAS_Number>
1240361-06-1

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000LW9

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 5-bromo-2-chloro-, methyl ester

>  <CAS_Number>
1243475-64-0

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.1492    2.8473    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3292    2.5868    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1453   -2.2908    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9179   -1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000N8G

>  <Chemical_Name>
2,2'-Bithiophene, 3,3',5,5'-tetrabromo-

>  <CAS_Number>
125143-53-5

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.2036    2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3308   -0.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -2.8473    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0867   -0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000NFX

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-chloro-4-cyclopropyl-

>  <CAS_Number>
1252900-85-8

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -5.6621    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000P2D

>  <Chemical_Name>
Benzo[b]thiophene-2-carbonitrile, 6-bromo-

>  <CAS_Number>
1190198-24-3

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.2758   -0.2435    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG000P8R

>  <Chemical_Name>
Benzo[b]thiophene, 3-(bromomethyl)-

>  <CAS_Number>
1196-19-6

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.0218    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0595    1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126   -2.4835    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000QKD

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 5-bromo-2-methyl-, methyl ester

>  <CAS_Number>
1259396-11-6

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.2944   -0.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000QNZ

>  <Chemical_Name>
Thiophene, tetrahydro-, 1,1-dioxide

>  <CAS_Number>
126-33-0

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.1935   -2.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6023   -2.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126    0.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8977    1.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324    1.8977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6653    3.1301    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4835   -3.3126    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000TFY

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-chloro-3-(chlorosulfonyl)-, methyl ester

>  <CAS_Number>
126910-68-7

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000VY5

>  <Chemical_Name>
Thiophene-2-ol, 5-bromo-

>  <CAS_Number>
1313392-39-0

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG000W2O

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4-nitro-

>  <CAS_Number>
13138-70-0

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000ZX5

>  <Chemical_Name>
Thiophene, 2,5-dibromo-3-methyl-

>  <CAS_Number>
13191-36-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG000ZYA

>  <Chemical_Name>
Thiophene, 2-bromo-5-nitro-

>  <CAS_Number>
13195-50-1

$$$$

  -INDIGO-08032105172D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00103D

>  <Chemical_Name>
Dibenzothiophene, 4-iodo-

>  <CAS_Number>
132034-89-0

$$$$

  -INDIGO-08032105172D

 12 12  0  0  1  0  0  0  0  0999 V2000
    5.6794   -1.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    0.5794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.9405    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  5 11  1  6  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0010JQ

>  <Chemical_Name>
2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-, (αR)-

>  <CAS_Number>
132335-49-0

$$$$

  -INDIGO-08032105172D

 28 29  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7138    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7138    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3282    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3282    4.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7138    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8811    7.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4461    7.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2461    6.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1755    4.9492    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9426    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5569    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5569    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1713    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7856    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7856    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1713    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1713    7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7856    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 18  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 22  4  0  0  0  0
  8 28  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0010JS

>  <Chemical_Name>
2-Thiophenepropanamine, N,N-dimethyl-γ-(1-naphthalenyloxy)-, ethanedioate (1:1), (γS)-

>  <CAS_Number>
132335-47-8

$$$$

  -INDIGO-08032105172D

 12 12  0  0  1  0  0  0  0  0999 V2000
    5.6794   -1.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    0.5794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.9405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  5 11  1  1  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0010JU

>  <Chemical_Name>
2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-, (αS)-

>  <CAS_Number>
132335-44-5

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    4.2018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405    4.1105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621    3.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4460    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8478    1.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    3.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8478    4.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4334    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001132

>  <Chemical_Name>
Benzo[b]thiophene-2-methanamine, 3-chloro-N-methyl-, hydrochloride (1:1)

>  <CAS_Number>
132740-14-8

$$$$

  -INDIGO-08032105172D

 25 29  0  0  1  0  0  0  0  0999 V2000
   -8.5282    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    0.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    3.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.1249    3.4373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.9249    2.0517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.7249    3.4373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239    3.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3383    3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492    2.8473    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529   -2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179   -2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179   -1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -0.1492    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  1  0  0  0
  8 10  1  1  0  0  0
  5 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 15  4  0  0  0  0
 14 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 20  4  0  0  0  0
 14 25  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0011M8

>  <Chemical_Name>
2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester

>  <CAS_Number>
136310-64-0

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    2.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001288

>  <Chemical_Name>
2-Thiophenepropanoic acid, β-oxo-, ethyl ester

>  <CAS_Number>
13669-10-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG0012DM

>  <Chemical_Name>
2-Thiophenecarboxaldehyde, 5-methyl-

>  <CAS_Number>
13679-70-4

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0012DN

>  <Chemical_Name>
Thiophene, 3-ethenyl-

>  <CAS_Number>
13679-64-6

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.2178   -0.3611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0013VN

>  <Chemical_Name>
3-Thiopheneacetonitrile

>  <CAS_Number>
13781-53-8

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0013VQ

>  <Chemical_Name>
Thiophene, 2-iodo-5-phenyl-

>  <CAS_Number>
13781-37-8

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001AWB

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 6-chloro-3-hydroxy-

>  <CAS_Number>
1393803-55-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001CSR

>  <Chemical_Name>
3-Thiophenecarboxamide, 2-amino-

>  <CAS_Number>
14080-51-4

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001D4G

>  <Chemical_Name>
Benzo[b]thiophene, 3-methyl-

>  <CAS_Number>
1455-18-1

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001D6G

>  <Chemical_Name>
Thiophene, 2-bromo-3-octyl-

>  <CAS_Number>
145543-83-5

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001D6H

>  <Chemical_Name>
Thiophene, 2-bromo-3-butyl-

>  <CAS_Number>
145543-82-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001DKU

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-amino-, methyl ester

>  <CAS_Number>
14597-58-1

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -6.4621   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    1.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001DPT

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 5-(trifluoromethyl)-, methyl ester

>  <CAS_Number>
146137-92-0

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001DPX

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 4-iodo-, methyl ester

>  <CAS_Number>
146137-85-1

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -6.4880    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967   -0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6070    2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001DVH

>  <Chemical_Name>
Thieno[3,4-b]thiophene-2-carboxylic acid, methyl ester

>  <CAS_Number>
14630-09-2

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001E99

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 6-methyl-

>  <CAS_Number>
1467-86-3

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.9233   -1.3016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001EMV

>  <Chemical_Name>
2-Thiophenecarbonitrile, 3-chloro-

>  <CAS_Number>
147123-67-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001EMX

>  <Chemical_Name>
2-Thiophenecarboxamide, 3-amino-

>  <CAS_Number>
147123-47-5

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001GN9

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 6-chloro-3-methyl-, methyl ester

>  <CAS_Number>
1415968-74-9

$$$$

  -INDIGO-08032105172D

 16 16  0  0  0  0  0  0  0  0999 V2000
  -13.7805    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3188    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001ISC

>  <Chemical_Name>
Thiophene, 2-bromo-3-decyl-

>  <CAS_Number>
144012-09-9

$$$$

  -INDIGO-08032105172D

 35 36  0  0  0  0  0  0  0  0999 V2000
    0.5856    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1856    2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7821   10.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9494    8.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4111    8.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5783    6.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0400    5.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4256    6.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6147    5.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9639    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3726    4.3242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3020    3.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7370    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6664    2.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1014    2.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    4.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6775    5.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2426    4.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0419    4.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5475    5.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9713    3.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7639    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3639    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7639    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3639    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7639    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7043    5.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2260    4.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2260    3.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7043    2.8625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 16  4  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 31  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001IZZ

>  <Chemical_Name>
2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (αE)-, methanesulfonate (1:1)

>  <CAS_Number>
144143-96-4

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566   -1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000    2.7713    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2  16   1  18  -1
M  END
>  <Catalog_Number>
AG001KJ7

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-chloro-, 4-nitrophenyl ester

>  <CAS_Number>
1450877-56-1

$$$$

  -INDIGO-08032105172D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084   -1.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9865    0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3191   -0.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    1.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5082    0.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001LU4

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester

>  <CAS_Number>
149587-72-4

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.4214   -1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998   -1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107   -0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564   -2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529    2.3912    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001MB1

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxylic acid, 2-bromo-4,5,6,7-tetrahydro-, ethyl ester

>  <CAS_Number>
150108-66-0

$$$$

  -INDIGO-08032105172D

 22 23  0  0  1  0  0  0  0  0999 V2000
   -7.3191    0.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9865   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1755   -1.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6972   -1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0299    0.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8862   -2.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2189   -0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4648   -1.3141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6084    1.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4194    2.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1301    1.8159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 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  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 14  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 17  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001NGU

>  <Chemical_Name>
Benzo[b]thiophene-3-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-

>  <CAS_Number>
154902-51-9

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.8809   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    1.0218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5092    1.1710    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721   -2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001O5E

>  <Chemical_Name>
2-Thiophenesulfonamide, 5-chloro-N-(1,1-dimethylethyl)-

>  <CAS_Number>
155731-14-9

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.6653    3.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036    2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3308   -0.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001P9F

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-hydroxy-5-(trifluoromethyl)-, methyl ester

>  <CAS_Number>
157162-16-8

$$$$

  -INDIGO-08032105172D

 17 17  0  0  0  0  0  0  0  0999 V2000
  -13.7805    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3188    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -3.6161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001R1X

>  <Chemical_Name>
Thiophene, 2,5-dibromo-3-decyl-

>  <CAS_Number>
158956-23-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.5889   -1.8809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2178    0.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001SJE

>  <Chemical_Name>
2-Thiopheneacetic acid, 4-bromo-

>  <CAS_Number>
161942-89-8

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5812   -2.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001TKT

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxaldehyde, 5-bromo-

>  <CAS_Number>
16296-72-3

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.7737    0.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001UE2

>  <Chemical_Name>
3-Thiophenepropanoic acid

>  <CAS_Number>
16378-06-6

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.1825    0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001UNW

>  <Chemical_Name>
3-Thiophenecarbonitrile

>  <CAS_Number>
1641-09-4

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001V6X

>  <Chemical_Name>
Thiophene, 2-iodo-5-methyl-

>  <CAS_Number>
16494-36-3

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -6.5127    2.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001V9V

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-(2-hydroxyethyl)-, methyl ester

>  <CAS_Number>
160744-13-8

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.1935   -2.1490    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6023   -2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126    0.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8977    1.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324    1.8977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6653    3.1301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835   -3.3126    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001VKE

>  <Chemical_Name>
2-Thiophenesulfonamide, 3-(2-bromoacetyl)-5-chloro-

>  <CAS_Number>
160982-11-6

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1190   -3.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5166   -4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001VKF

>  <Chemical_Name>
2-Thiophenesulfonamide, 3-acetyl-5-chloro-

>  <CAS_Number>
160982-10-5

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -2.8473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG001WA7

>  <Chemical_Name>
3-Thiophenecarbonitrile, tetrahydro-4-oxo-

>  <CAS_Number>
16563-14-7

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001WE4

>  <Chemical_Name>
Benzo[b]thiophene, 6-methyl-

>  <CAS_Number>
16587-47-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <Catalog_Number>
AG001WYZ

>  <Chemical_Name>
Thiophene, 2-(bromomethyl)-5-nitro-

>  <CAS_Number>
166887-84-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.0510    2.6809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <Catalog_Number>
AG001WZE

>  <Chemical_Name>
2-Thiophenecarbonitrile, 5-nitro-

>  <CAS_Number>
16689-02-4

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324    1.8977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977   -1.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001X2P

>  <Chemical_Name>
2-Thiophenesulfonyl chloride, 4-bromo-5-chloro-

>  <CAS_Number>
166964-35-8

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -5.5426    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001X6Q

>  <Chemical_Name>
Thiophene, 2-(phenylthio)-

>  <CAS_Number>
16718-12-0

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -7.7865   -2.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2648   -2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0758   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2214   -3.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    2.7541    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    3.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001XZ8

>  <Chemical_Name>
Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-, ethyl ester

>  <CAS_Number>
168279-54-7

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001Y1C

>  <Chemical_Name>
Thiophene, 2-methoxy-

>  <CAS_Number>
16839-97-7

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001YZ1

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 4-methyl-

>  <CAS_Number>
1735-13-3

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0020BA

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-chloro-4-methyl-, methyl ester

>  <CAS_Number>
175137-11-8

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8967    0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6071   -2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0020H7

>  <Chemical_Name>
Thieno[2,3-b]thiophene-2,5-dicarboxylic acid, 3,4-dimethyl-

>  <CAS_Number>
175202-55-8

$$$$

  -INDIGO-08032105172D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -3.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    1.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3817    1.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7144   -0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3287   -1.0086    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1761   -0.8593    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    9.5617   -0.0593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7507   -1.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0999   -2.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5087   -2.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6216   -3.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7673   -4.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6912    0.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1364   -1.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0020XJ

>  <Chemical_Name>
1,3,2-Dioxaborolane, 2,2'-(2,5-thiophenediyl)bis[4,4,5,5-tetramethyl-

>  <CAS_Number>
175361-81-6

$$$$

  -INDIGO-08032105172D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.2578    4.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0906    2.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239   -3.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    1.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992    1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6936    3.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0023H8

>  <Chemical_Name>
2,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, 2,5-diethyl ester

>  <CAS_Number>
1822-66-8

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -7.2621    1.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4621    0.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -3.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15  8  4  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0023YV

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 7-chloro-3-hydroxy-, ethyl ester

>  <CAS_Number>
1825392-01-5

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00271E

>  <Chemical_Name>
Thiophene, 3-ethyl-

>  <CAS_Number>
1795-01-3

$$$$

  -INDIGO-08032105172D

 17 20  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725    1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    2.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    0.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  4  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 11  4  0  0  0  0
 16 17  4  0  0  0  0
 17  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0029SE

>  <Chemical_Name>
BENZO(B)NAPHTHO(1,2-D)THIOPHENE

>  <CAS_Number>
205-43-6

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0029U9

>  <Chemical_Name>
Benzo[b]thiophene, 6-fluoro-

>  <CAS_Number>
205055-10-3

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002A0M

>  <Chemical_Name>
Benzo[b]thiophene, 5-chloro-

>  <CAS_Number>
20532-33-6

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002AGV

>  <Chemical_Name>
1-BENZOTHIOPHENE-5-CARBOXYLIC ACID

>  <CAS_Number>
2060-64-2

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002AGW

>  <Chemical_Name>
Benzo[b]thiophene-5-carbonitrile

>  <CAS_Number>
2060-63-1

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  5  4  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002BCW

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 3-amino-5,6-dimethoxy-, methyl ester

>  <CAS_Number>
198204-16-9

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -7.4284   -1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4880    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967   -0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6070    2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002D4U

>  <Chemical_Name>
Thieno[3,2-b]thiophene-2-carboxylic acid, ethyl ester

>  <CAS_Number>
201004-08-2

$$$$

  -INDIGO-08032105172D

 28 31  0  0  1  0  0  0  0  0999 V2000
   -4.6951   -0.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007    0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2713    1.7127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8363    1.3801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3308   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2601   -1.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8958   -0.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9069    2.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4720    2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6610    3.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0466    2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7140    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1228    0.7748    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356    0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -3.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    4.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    4.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    2.5889    0.0000 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
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 17  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 16  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 23  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002DH3

>  <Chemical_Name>
2-Thiophenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-

>  <CAS_Number>
201532-42-5

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG002DP0

>  <Chemical_Name>
2-Thiophenecarbonitrile, 5-iodo-

>  <CAS_Number>
18945-81-8

$$$$

  -INDIGO-08032105172D

 23 24  0  0  1  0  0  0  0  0999 V2000
    7.3191    0.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1301    1.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4628    3.3810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084    1.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758   -0.2435    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648   -1.3141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1321   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104   -3.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3212   -3.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8429   -3.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755   -1.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3645   -2.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0319   -4.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
  5 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002EE2

>  <Chemical_Name>
Benzo[b]thiophene-3-butanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-

>  <CAS_Number>
190190-48-8

$$$$

  -INDIGO-08032105172D

 19 19  0  0  1  0  0  0  0  0999 V2000
    1.8809   -2.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -2.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3611   -4.2178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317    1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3317   -0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967    0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640    1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6023    2.3162    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016    2.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332    1.7962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3649    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7142   -0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002EE3

>  <Chemical_Name>
2-Thiophenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βS)-

>  <CAS_Number>
190190-47-7

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179   -2.7239    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002EQV

>  <Chemical_Name>
3,4-Thiophenedicarboxylic acid, 2,5-dibromo-

>  <CAS_Number>
190723-12-7

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002ERU

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxaldehyde, 6-bromo-

>  <CAS_Number>
19075-53-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002FBQ

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 5-ethyl-

>  <CAS_Number>
19156-51-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002FBR

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 5-methyl-

>  <CAS_Number>
19156-50-4

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.5893    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002FDV

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-phenyl-

>  <CAS_Number>
19163-24-7

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002FH6

>  <Chemical_Name>
Thiophene, 2-ethenyl-

>  <CAS_Number>
1918-82-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002FH7

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-methyl-

>  <CAS_Number>
1918-79-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.0218    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002FH8

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-methyl-

>  <CAS_Number>
1918-78-1

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.9431   -1.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002GGP

>  <Chemical_Name>
Benzo[b]thiophene-3-carbonitrile, 2-amino-

>  <CAS_Number>
18774-47-5

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002GKI

>  <Chemical_Name>
Thiophene, 2-hexyl-

>  <CAS_Number>
18794-77-9

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG002GKQ

>  <Chemical_Name>
4-Bromothiophene-2-carbonitrile

>  <CAS_Number>
18791-99-6

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.9233   -1.3016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002GKR

>  <Chemical_Name>
2-Thiophenecarbonitrile, 3-bromo-

>  <CAS_Number>
18791-98-5

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002GKT

>  <Chemical_Name>
3-Thiophenecarboxaldehyde, 5-bromo-

>  <CAS_Number>
18791-79-2

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2158    1.7943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG002GKU

>  <Chemical_Name>
3-Thiophenecarboxaldehyde, 4-bromo-

>  <CAS_Number>
18791-78-1

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2158    1.7943    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG002GQD

>  <Chemical_Name>
3-Thiophenecarboxaldehyde, 2-iodo-

>  <CAS_Number>
18812-40-3

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.2485   -0.7837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541    0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8247    1.9270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    2.5323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236    3.5541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002GS5

>  <Chemical_Name>
Benzo[c]thiophene-1-carboxylic acid, 3-bromo-4,5,6,7-tetrahydro-

>  <CAS_Number>
188240-63-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.8809    2.5889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -1.5217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5378   -2.5105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <Catalog_Number>
AG002GYG

>  <Chemical_Name>
3,4-Thiophenedicarbonitrile

>  <CAS_Number>
18853-32-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002IA9

>  <Chemical_Name>
3-Thiophenecarboxamide, 5-bromo-

>  <CAS_Number>
189329-94-0

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6621   -0.8000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <Catalog_Number>
AG002IO3

>  <Chemical_Name>
2-Thiophenecarboxaldehyde, 5-ethynyl-

>  <CAS_Number>
206768-21-0

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.4621   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <Catalog_Number>
AG002ISM

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 5-nitro-, methyl ester

>  <CAS_Number>
20699-86-9

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002ISN

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 5-amino-, methyl ester

>  <CAS_Number>
20699-85-8

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.0000    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002IXL

>  <Chemical_Name>
2-Thiophenecarboxaldehyde, 5-(4-hydroxy-1-piperidinyl)-

>  <CAS_Number>
207290-72-0

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002IZ9

>  <Chemical_Name>
Thiophene, 3-(methylthio)-

>  <CAS_Number>
20731-74-2

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -2.1856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002J5I

>  <Chemical_Name>
Benzo[b]thiophene, 2-(chloromethyl)-

>  <CAS_Number>
2076-88-2

$$$$

  -INDIGO-08032105172D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.1492    2.8473    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3292    2.5868    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1453   -2.2908    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8126   -3.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6670   -1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3343   -3.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179   -1.3383    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.9179   -2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036   -2.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002J96

>  <Chemical_Name>
2,2'-Bithiophene, 3,3'-dibromo-5,5'-bis(trimethylsilyl)-

>  <CAS_Number>
207742-50-5

$$$$

  -INDIGO-08032105172D

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.0692    4.6914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0692    6.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6836    7.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163    8.6826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9513    9.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1513    7.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219    6.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8892    4.8756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4543    4.5429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3242    5.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5566    3.3105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0349    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7405    3.7566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460    2.8161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4809    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4548    7.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8405    6.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8405    4.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2261    3.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5588    2.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500    2.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8008    3.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6118    4.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6118    6.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2261    7.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2261    8.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0008    0.0000    0.0000 Na  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 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
 26 22  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 20  4  0  0  0  0
 28 29  1  0  0  0  0
M  RAD  1  30   2
M  END
>  <Catalog_Number>
AG002KRR

>  <Chemical_Name>
3-Thiophenesulfonamide, N-(4-chloro-3-methyl-5-isoxazolyl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]-, sodium salt (1:1)

>  <CAS_Number>
210421-74-2

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002KVE

>  <Chemical_Name>
3-Thiophenemethanamine, N-methyl-

>  <CAS_Number>
210552-07-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002LHG

>  <Chemical_Name>
3-Thiophenecarboxylic acid, methyl ester

>  <CAS_Number>
22913-26-4

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -5.4648   -1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002LHH

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxylic acid, methyl ester

>  <CAS_Number>
22913-25-3

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -6.4621   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002LHI

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, methyl ester

>  <CAS_Number>
22913-24-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -4.7737    0.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809   -2.5889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Catalog_Number>
AG002LOH

>  <Chemical_Name>
2-Thiophenepropanoic acid, α-amino-, (αS)-

>  <CAS_Number>
22951-96-8

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  3  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002LZF

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 5,6-dimethoxy-

>  <CAS_Number>
23046-03-9

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002LZG

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 5-methoxy-

>  <CAS_Number>
23046-02-8

$$$$

  -INDIGO-08032105172D

  9 10  0  0  0  0  0  0  0  0999 V2000
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002P5G

>  <Chemical_Name>
Benzo[c]thiophene, 1,3-dihydro-

>  <CAS_Number>
2471-92-3

$$$$

  -INDIGO-08032105172D

 16 19  0  0  0  0  0  0  0  0999 V2000
   -4.2930   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2930   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073   -2.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8478   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8478    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  4  0  0  0  0
 12  4  4  0  0  0  0
 10 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002PHN

>  <Chemical_Name>
[1]Benzothieno[3,2-b][1]benzothiophene

>  <CAS_Number>
248-70-4

$$$$

  -INDIGO-08032105172D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.2897    3.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8967    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  CHG  2   1  -1   9   1
M  END
>  <Catalog_Number>
AG002QJK

>  <Chemical_Name>
2-Thiophenecarboxylic acid, sodium salt (1:1)

>  <CAS_Number>
25112-68-9

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3710    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002QJW

>  <Chemical_Name>
Thieno[3,2-b]thiophene, 2,5-dibromo-

>  <CAS_Number>
25121-87-3

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002RE7

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 6-chloro-

>  <CAS_Number>
26018-73-5

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002RU2

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-bromo-, methyl ester

>  <CAS_Number>
26137-08-6

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002RZ5

>  <Chemical_Name>
2-Thiophenecarboxaldehyde, 4-phenyl-

>  <CAS_Number>
26170-87-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002T5R

>  <Chemical_Name>
3-Thiophenecarboxaldehyde, 2,5-dimethyl-

>  <CAS_Number>
26421-44-3

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.8928   -3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    2.2158    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473    0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363   -0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856   -2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943   -2.2158    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  5 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
  5 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002T9R

>  <Chemical_Name>
2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, methyl ester

>  <CAS_Number>
26447-85-8

$$$$

  -INDIGO-08032105172D

 12 12  0  0  1  0  0  0  0  0999 V2000
   -1.8809   -2.5889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737    0.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002TFF

>  <Chemical_Name>
2-Thiophenepropanoic acid, α-amino-5-bromo-, (αR)-

>  <CAS_Number>
264903-54-0

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002TPK

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4-bromo-3-methyl-

>  <CAS_Number>
265652-39-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002UDE

>  <Chemical_Name>
2-Thiophenesulfonyl chloride, 5-chloro-

>  <CAS_Number>
2766-74-7

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.8809   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    1.0218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5092    1.1710    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721   -2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002W3R

>  <Chemical_Name>
2-Thiophenesulfonamide, 5-bromo-N-(1,1-dimethylethyl)-

>  <CAS_Number>
286932-39-6

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002X5V

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2,5-dibromo-, ethyl ester

>  <CAS_Number>
289470-44-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002XPA

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-methoxy-

>  <CAS_Number>
29212-22-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002YCH

>  <Chemical_Name>
4-Bromo-5-methylthiophene-2-carboxylic acid

>  <CAS_Number>
29421-99-6

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002YCI

>  <Chemical_Name>
Thiophene, 4-bromo-2-methyl-

>  <CAS_Number>
29421-92-9

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002YCK

>  <Chemical_Name>
3-Thiophenecarboxaldehyde, 5-methyl-

>  <CAS_Number>
29421-72-5

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002YLZ

>  <Chemical_Name>
Thiophene, 2-bromo-5-iodo-

>  <CAS_Number>
29504-81-2

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9233   -1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3850   -1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002ZWM

>  <Chemical_Name>
Thiophene, 2-bromo-3-(2-ethylhexyl)-

>  <CAS_Number>
303734-52-3

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003040

>  <Chemical_Name>
2-Thiopheneethanamine

>  <CAS_Number>
30433-91-1

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 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  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00305R

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxaldehyde, 2-methyl-

>  <CAS_Number>
30446-99-2

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.4000    1.3856    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0031ZN

>  <Chemical_Name>
Benzo[b]thiophene, 4-fluoro-

>  <CAS_Number>
310466-38-7

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0031ZO

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 4-fluoro-

>  <CAS_Number>
310466-37-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0032IQ

>  <Chemical_Name>
2-Acetyl-4-bromothiophene

>  <CAS_Number>
7209-11-2

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0032UT

>  <Chemical_Name>
2-(4-Fluorophenyl)thiophene

>  <CAS_Number>
58861-48-6

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.7541   -0.7380    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0032XI

>  <Chemical_Name>
2,3-Dibromobenzo[b]thiophene

>  <CAS_Number>
6287-82-7

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7379   -2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
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  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0032XL

>  <Chemical_Name>
2,3-Dibromothiophene

>  <CAS_Number>
3140-93-0

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
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  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0032YV

>  <Chemical_Name>
2,4-Dibromothiophene

>  <CAS_Number>
3140-92-9

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.3856    2.3831    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
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  7  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0032ZZ

>  <Chemical_Name>
2,5-Dibromo-3,4-Dinitrothiophene

>  <CAS_Number>
52431-30-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.4460    2.8161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0434   -0.9889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
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  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00334I

>  <Chemical_Name>
2-Aminothiophene-3-carbonitrile

>  <CAS_Number>
4651-82-5

$$$$

  -INDIGO-08032105172D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.4617   -0.6508    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3327    1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0033D9

>  <Chemical_Name>
2-Iodothiophene

>  <CAS_Number>
3437-95-4

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
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   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0033F2

>  <Chemical_Name>
2-n-Octylthiophene

>  <CAS_Number>
880-36-4

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0033RT

>  <Chemical_Name>
3-Octylthiophene

>  <CAS_Number>
65016-62-8

$$$$

  -INDIGO-08032105172D

 16 18  0  0  0  0  0  0  0  0999 V2000
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   -3.9940    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
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  8  3  4  0  0  0  0
  8  9  4  0  0  0  0
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 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
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 15 10  4  0  0  0  0
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M  END
>  <Catalog_Number>
AG00340N

>  <Chemical_Name>
Dibenzothiophene-4-boronic acid

>  <CAS_Number>
108847-20-7

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
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   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
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  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
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  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00347A

>  <Chemical_Name>
5-Bromo-2,2′-bithiophene

>  <CAS_Number>
3480-11-3

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
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   -1.2586   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00349B

>  <Chemical_Name>
5-Chlorothiophene-2-Boronic Acid Pinacol Ester

>  <CAS_Number>
635305-24-7

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
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   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
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  6  7  4  0  0  0  0
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 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0034AS

>  <Chemical_Name>
5-Methylbenzo[b]thiophene

>  <CAS_Number>
14315-14-1

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
>  <Catalog_Number>
AG0034B2

>  <Chemical_Name>
5-Nitrothiophene-2-carboxylic acid

>  <CAS_Number>
6317-37-9

$$$$

  -INDIGO-08032105172D

  9 10  0  0  0  0  0  0  0  0999 V2000
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0034HU

>  <Chemical_Name>
Benzo[b]Thiophene

>  <CAS_Number>
95-15-8

$$$$

  -INDIGO-08032105172D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.2897    3.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8967    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0000    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  CHG  2   1  -1   9   1
M  END
>  <Catalog_Number>
AG0034MS

>  <Chemical_Name>
Copper(I) thiophene-2-carboxylate

>  <CAS_Number>
68986-76-5

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG003585

>  <Chemical_Name>
Methyl 5-nitrothiophene-2-carboxylate

>  <CAS_Number>
5832-01-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.3856    2.3831    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    2.5323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0035NN

>  <Chemical_Name>
Tetrabromothiophene

>  <CAS_Number>
3958-03-0

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.0510    2.6809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0035VN

>  <Chemical_Name>
4-cyanothiophene-2-carboxylic acid

>  <CAS_Number>
406719-77-5

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.4000    1.3856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0036U1

>  <Chemical_Name>
4-Chlorobenzothiophene

>  <CAS_Number>
66490-33-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003708

>  <Chemical_Name>
4-Chlorothiophene-2-carboxylic acid

>  <CAS_Number>
59614-95-8

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00377Y

>  <Chemical_Name>
5-Carboxythiophene-2-boronic acid

>  <CAS_Number>
465515-31-5

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0037AX

>  <Chemical_Name>
Methyl 4-bromo-3-fluorothiophene-2-carboxylate

>  <CAS_Number>
395664-56-9

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0037D2

>  <Chemical_Name>
4-Bromo-2-chlorothiophene

>  <CAS_Number>
32431-93-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0037N9

>  <Chemical_Name>
5-Bromo-4-methylthiophene-2-carboxylic acid

>  <CAS_Number>
54796-53-1

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.1825    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0037U0

>  <Chemical_Name>
2-Ethynylthiophene

>  <CAS_Number>
4298-52-6

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4460   -2.8161    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <Catalog_Number>
AG0037US

>  <Chemical_Name>
4-Bromo-5-Nitrothiophene-2-Carboxaldehyde

>  <CAS_Number>
41498-07-1

$$$$

  -INDIGO-08032105172D

 11 13  0  0  0  0  0  0  0  0999 V2000
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0267   -0.3181    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
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  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003800

>  <Chemical_Name>
Dithieno[3,2-b:2',3'-d]thiophene

>  <CAS_Number>
3593-75-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5317   -1.1272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    0.3345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
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  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00383M

>  <Chemical_Name>
2-Bromo-5-(trifluoromethyl)thiophene

>  <CAS_Number>
143469-22-1

$$$$

  -INDIGO-08032105172D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.4617   -0.6508    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00388X

>  <Chemical_Name>
3-Chlorothiophene

>  <CAS_Number>
17249-80-8

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.2214    3.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541    2.1236    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0039F5

>  <Chemical_Name>
5,5′-bis(trimethylstannyl)-2,2′-bithiophene

>  <CAS_Number>
143367-56-0

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8595   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9501    2.2850    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0039GM

>  <Chemical_Name>
3,7-Dibromodibenzothiophene

>  <CAS_Number>
83834-10-0

$$$$

  -INDIGO-08032105172D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -7.2000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8478   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8478    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6191   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0047   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 11  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0039GR

>  <Chemical_Name>
6-Methoxy-2-(4-methoxyphenyl)benzobithiophene

>  <CAS_Number>
63675-74-1

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0039R0

>  <Chemical_Name>
Ethyl 2-bromothiophene-3-carboxylate

>  <CAS_Number>
632325-50-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
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  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0039VZ

>  <Chemical_Name>
Methyl 5-methylthiophene-3-carboxylate

>  <CAS_Number>
88770-18-7

$$$$

  -INDIGO-08032105172D

 14 16  0  0  0  0  0  0  0  0999 V2000
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   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003A9D

>  <Chemical_Name>
4-Bromodibenzothiophene

>  <CAS_Number>
97511-05-2

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003B9U

>  <Chemical_Name>
Thiophene-2-carbonyl chloride

>  <CAS_Number>
5271-67-0

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 S   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003CQZ

>  <Chemical_Name>
[2,2'-Bithiophene]-5-carbaldehyde

>  <CAS_Number>
3779-27-9

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003DZ1

>  <Chemical_Name>
1-Benzothiophene-3-carboxylic acid

>  <CAS_Number>
5381-25-9

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003EVE

>  <Chemical_Name>
2-(4-Bromophenyl)thiophene

>  <CAS_Number>
40133-22-0

$$$$

  -INDIGO-08032105172D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -6.6670    1.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1453    2.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912    1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0852    2.9295    0.0000 S   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 13  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003F91

>  <Chemical_Name>
[2,2':5',2''-Terthiophene]-5-carbaldehyde

>  <CAS_Number>
7342-41-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.9405    1.2944    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    1.2944    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -2.4621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FE0

>  <Chemical_Name>
2,3,4-Tribromothiophene

>  <CAS_Number>
3141-25-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.3856    2.3831    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    2.5323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FF3

>  <Chemical_Name>
2,3,5-Tribromo-4-methylthiophene

>  <CAS_Number>
67869-13-0

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Catalog_Number>
AG003FL7

>  <Chemical_Name>
2,3-Thiophene-dicarbaldehyde

>  <CAS_Number>
932-41-2

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FXU

>  <Chemical_Name>
2,5-Dichlorothiophene

>  <CAS_Number>
3172-52-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FXV

>  <Chemical_Name>
2,5-Dichlorothiophene-3-carboxylic acid

>  <CAS_Number>
36157-41-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Catalog_Number>
AG003G1E

>  <Chemical_Name>
Thiophene-2,5-dicarbaldehyde

>  <CAS_Number>
932-95-6

$$$$

  -INDIGO-08032105172D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  4  0  0  0  0
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M  END
>  <Catalog_Number>
AG003G2F

>  <Chemical_Name>
2,6-Dibromodithieno[3,2-b:2',3'-d]thiophene

>  <CAS_Number>
67061-69-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  8  4  4  0  0  0  0
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M  END
>  <Catalog_Number>
AG003GB0

>  <Chemical_Name>
2-Acetyl-5-chlorothiophene

>  <CAS_Number>
6310-09-4

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
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  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
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  8  4  4  0  0  0  0
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 12  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003GBD

>  <Chemical_Name>
2-Acetylbenzothiophene

>  <CAS_Number>
22720-75-8

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Catalog_Number>
AG003GEC

>  <Chemical_Name>
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

>  <CAS_Number>
4815-28-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
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  7  3  4  0  0  0  0
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  5  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003GHA

>  <Chemical_Name>
2-Amino-5-methylthiophene-3-carbonitrile

>  <CAS_Number>
138564-58-6

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  6  7  4  0  0  0  0
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M  END
>  <Catalog_Number>
AG003GMH

>  <Chemical_Name>
2-Bromo-3-(bromomethyl)thiophene

>  <CAS_Number>
40032-76-6

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Catalog_Number>
AG003GMW

>  <Chemical_Name>
2-Bromo-3-hexylthiophene

>  <CAS_Number>
69249-61-2

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Catalog_Number>
AG003GQ7

>  <Chemical_Name>
2-Bromo-5-methylthiophene

>  <CAS_Number>
765-58-2

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
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  3  4  4  0  0  0  0
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M  END
>  <Catalog_Number>
AG003GVX

>  <Chemical_Name>
2-Chloro-3-methylthiophene

>  <CAS_Number>
14345-97-2

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Catalog_Number>
AG003GYE

>  <Chemical_Name>
2-Chloro-5-(chloromethyl)thiophene

>  <CAS_Number>
23784-96-5

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  6  7  4  0  0  0  0
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M  END
>  <Catalog_Number>
AG003H77

>  <Chemical_Name>
2-Ethyl-5-methylthiophene

>  <CAS_Number>
40323-88-4

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Catalog_Number>
AG003H87

>  <Chemical_Name>
2-Ethylthiophene

>  <CAS_Number>
872-55-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003HQP

>  <Chemical_Name>
2-(Methylsulfonyl)thiophene

>  <CAS_Number>
38695-60-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <Catalog_Number>
AG003HTB

>  <Chemical_Name>
5-Nitrothiophene-3-carbaldehyde

>  <CAS_Number>
75428-45-4

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003HVZ

>  <Chemical_Name>
2-Phenylthiophene

>  <CAS_Number>
825-55-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003HWW

>  <Chemical_Name>
2-Propylthiophene

>  <CAS_Number>
1551-27-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.4240    1.7585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -1.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825    0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003HY1

>  <Chemical_Name>
Thiophene-2-sulfonamide

>  <CAS_Number>
6339-87-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003HY9

>  <Chemical_Name>
Thiophene-2-carbohydrazide

>  <CAS_Number>
2361-27-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.4240    1.7585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -1.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825    0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003HYA

>  <Chemical_Name>
Thiophene-2-sulfonyl chloride

>  <CAS_Number>
16629-19-9

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -1.2202    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003ICL

>  <Chemical_Name>
3,3'-Bithiophene

>  <CAS_Number>
3172-56-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003IFP

>  <Chemical_Name>
3,4-Dibromotetrahydrothiophene 1,1-dioxide

>  <CAS_Number>
15091-30-2

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.7541   -0.7380    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003IZF

>  <Chemical_Name>
3-Bromobenzo[b]thiophene

>  <CAS_Number>
7342-82-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003J5P

>  <Chemical_Name>
3-Butylthiophene

>  <CAS_Number>
34722-01-5

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003JA2

>  <Chemical_Name>
3-Chloro-6-methylbenzo[b]thiophene-2-carboxylic acid

>  <CAS_Number>
34576-96-0

$$$$

  -INDIGO-08032105172D

 15 15  0  0  0  0  0  0  0  0999 V2000
  -13.7805    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3188    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
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 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JCZ

>  <Chemical_Name>
3-Decylthiophene

>  <CAS_Number>
65016-55-9

$$$$

  -INDIGO-08032105172D

 17 17  0  0  0  0  0  0  0  0999 V2000
  -16.5366    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 13  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JDC

>  <Chemical_Name>
3-Dodecylthiophene

>  <CAS_Number>
104934-52-3

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -3.1825    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JEW

>  <Chemical_Name>
3-Ethynylthiophene

>  <CAS_Number>
67237-53-0

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JIR

>  <Chemical_Name>
3-Hexylthiophene

>  <CAS_Number>
1693-86-3

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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   -1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003JS3

>  <Chemical_Name>
3-Methylthiophene-2-carbonitrile

>  <CAS_Number>
55406-13-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003JS4

>  <Chemical_Name>
3-Methylthiophene-2-carbonyl chloride

>  <CAS_Number>
61341-26-2

$$$$

  -INDIGO-08032105172D

 19 19  0  0  0  0  0  0  0  0999 V2000
  -19.2927    2.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8310    2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5366    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0749    2.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7805    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3188    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 15  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JWU

>  <Chemical_Name>
3-Tetradecylthiophene

>  <CAS_Number>
110851-66-6

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -9.0320    2.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5103    3.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3213    2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4886    0.6820    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0269    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7563    2.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617    3.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003K1W

>  <Chemical_Name>
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde

>  <CAS_Number>
881381-12-0

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003KHF

>  <Chemical_Name>
4,5-Dibromothiophene-2-carboxylic acid

>  <CAS_Number>
6324-10-3

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.6070    2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967   -0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003KJJ

>  <Chemical_Name>
4,6-Dihydrothieno[3,4-b]thiophene-2-carboxylic acid

>  <CAS_Number>
7712-05-2

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG003LSZ

>  <Chemical_Name>
4-Methylthiophene-2-carbaldehyde

>  <CAS_Number>
6030-36-0

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -8.6705   -0.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1761    0.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2467    2.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6110    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9602    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690    2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4220    0.1214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -3.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003M52

>  <Chemical_Name>
5-CARBOXYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER

>  <CAS_Number>
779335-05-6

$$$$

  -INDIGO-08032105172D

 17 19  0  0  0  0  0  0  0  0999 V2000
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   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3912    1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0852    2.9295    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3010    4.7238    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003M8U

>  <Chemical_Name>
5,5''-Dibromo-2,2':5',2''-terthiophene

>  <CAS_Number>
98057-08-0

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG003ML5

>  <Chemical_Name>
5-Bromothiophene-2-carbonitrile

>  <CAS_Number>
2160-62-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003ML6

>  <Chemical_Name>
5-Bromothiophene-2-carboxamide

>  <CAS_Number>
76371-66-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003ML8

>  <Chemical_Name>
5-Bromothiophene-2-sulfonamide

>  <CAS_Number>
53595-65-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003MS1

>  <Chemical_Name>
5-Formylthiophene-2-carboxylic acid

>  <CAS_Number>
4565-31-5

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.1270    3.7809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831   -3.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  5 18  1  0  0  0  0
M  CHG  2  15   1  17  -1
M  END
>  <Catalog_Number>
AG003MUW

>  <Chemical_Name>
5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile

>  <CAS_Number>
138564-59-7

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -8.1761    0.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6110    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9602    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5747    0.2706    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -3.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003MWN

>  <Chemical_Name>
5-Methylthiophene-2-boronic acid, pinacol ester

>  <CAS_Number>
476004-80-5

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <Catalog_Number>
AG003MXJ

>  <Chemical_Name>
5-Nitrothiophene-2-carboxaldehyde

>  <CAS_Number>
4521-33-9

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8621    0.5856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003O1M

>  <Chemical_Name>
Benzo[b]thiophene-2-carbonyl chloride

>  <CAS_Number>
39827-11-7

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5541   -2.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    2.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706    2.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 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  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  2  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003O1N

>  <Chemical_Name>
3-OXO-2,3-DIHYDROBENZO[B]THIOPHENE 1,1-DIOXIDE

>  <CAS_Number>
1127-35-1

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.1184   -2.2596    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596    0.1184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3781   -2.1412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003O2V

>  <Chemical_Name>
Benzothiophene-3-sulfonyl chloride

>  <CAS_Number>
18494-87-6

$$$$

  -INDIGO-08032105172D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.0906    2.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239   -3.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    1.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992    1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003PLB

>  <Chemical_Name>
Dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate

>  <CAS_Number>
58416-04-9

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.4214   -1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998   -1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107   -0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564   -2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529    2.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003Q32

>  <Chemical_Name>
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

>  <CAS_Number>
4506-71-2

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003Q36

>  <Chemical_Name>
Ethyl 2-amino-4-methylthiophene-3-carboxylate

>  <CAS_Number>
43088-42-2

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9474    2.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    2.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275    1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1132    0.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0605   -0.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003Q39

>  <Chemical_Name>
Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

>  <CAS_Number>
40106-13-6

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    1.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003Q3A

>  <Chemical_Name>
Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

>  <CAS_Number>
4815-29-6

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003Q3H

>  <Chemical_Name>
Ethyl 2-aminothiophene-3-carboxylate

>  <CAS_Number>
31891-06-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003Q5F

>  <Chemical_Name>
Ethyl thiophene-2-carboxylate

>  <CAS_Number>
2810-04-0

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003QCE

>  <Chemical_Name>
Ethyl 5-bromothiophene-2-carboxylate

>  <CAS_Number>
5751-83-7

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -6.6546   -2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809   -2.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003QH2

>  <Chemical_Name>
ETHYL THIOPHENE-2-GLYOXYLATE

>  <CAS_Number>
4075-58-5

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003QH3

>  <Chemical_Name>
Ethyl thiophene-3-carboxylate

>  <CAS_Number>
5751-80-4

$$$$

  -INDIGO-08032105172D

 31 35  0  0  0  0  0  0  0  0999 V2000
    3.8833    2.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233   -1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7563   -2.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3213   -2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4886   -0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0269   -0.0312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8742    0.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0414    1.7093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6065    2.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4065    0.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3359   -0.5328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0065    0.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8065    2.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0065    3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4065    3.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8065    4.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0065    6.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4065    4.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6065    6.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3450    2.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 17  4  0  0  0  0
 20 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 19  4  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003QLV

>  <Chemical_Name>
2,5-Bis(5-(tert-butyl)benzo[d]oxazol-2-yl)thiophene

>  <CAS_Number>
7128-64-5

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084   -1.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RQP

>  <Chemical_Name>
Methyl 3-acetamidothiophene-2-carboxylate

>  <CAS_Number>
22288-79-5

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.5127    2.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5893    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    2.8161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 11  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003RR7

>  <Chemical_Name>
Methyl 3-amino-4-phenylthiophene-2-carboxylate

>  <CAS_Number>
82437-64-7

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.5722    0.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2778   -0.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6489    2.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    1.5217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273    2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    1.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889    3.0434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RRX

>  <Chemical_Name>
Methyl 3-(chlorosulfonyl)thiophene-2-carboxylate

>  <CAS_Number>
59337-92-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RRY

>  <Chemical_Name>
Methyl 3-chlorothiophene-2-carboxylate

>  <CAS_Number>
88105-17-3

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    2.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RSV

>  <Chemical_Name>
Methyl 3-methoxythiophene-2-carboxylate

>  <CAS_Number>
62353-75-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RT4

>  <Chemical_Name>
Methyl 3-methylthiophene-2-carboxylate

>  <CAS_Number>
81452-54-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Catalog_Number>
AG003RTB

>  <Chemical_Name>
Methyl 3-oxotetrahydrothiophene-2-carboxylate

>  <CAS_Number>
2689-69-2

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -6.4880    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967   -0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6070    2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RU7

>  <Chemical_Name>
Methyl 4,6-Dihydrothieno[3,4-b]thiophene-2-carboxylate

>  <CAS_Number>
7767-60-4

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RUR

>  <Chemical_Name>
Methyl 4-bromo-3-hydroxythiophene-2-carboxylate

>  <CAS_Number>
95201-93-7

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.6618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <Catalog_Number>
AG003RX2

>  <Chemical_Name>
Methyl 5-amino-4-nitrothiophene-2-carboxylate

>  <CAS_Number>
106850-17-3

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.6618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <Catalog_Number>
AG003RXN

>  <Chemical_Name>
5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester

>  <CAS_Number>
57800-76-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Catalog_Number>
AG003RXV

>  <Chemical_Name>
Methyl 5-formylthiophene-2-carboxylate

>  <CAS_Number>
67808-64-4

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003S2S

>  <Chemical_Name>
Methyl thiophene-2-carboxylate

>  <CAS_Number>
5380-42-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003T2D

>  <Chemical_Name>
N-Hydroxythiophene-2-carboximidamide

>  <CAS_Number>
53370-51-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.3856    2.3831    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    2.5323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003TML

>  <Chemical_Name>
Perchlorothiophene

>  <CAS_Number>
6012-97-1

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003URW

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid

>  <CAS_Number>
6314-28-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.9233   -1.3016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003USJ

>  <Chemical_Name>
THIOPHENE-2-ACETAMIDE

>  <CAS_Number>
4461-29-4

$$$$

  -INDIGO-08032105172D

  9  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473    3.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363    2.4835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7237    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2363    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003USM

>  <Chemical_Name>
Thiophene-3,4-diamine dihydrochloride

>  <CAS_Number>
90069-81-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003W3G

>  <Chemical_Name>
3,4-Dimethylthiophene-2-carboxylic acid

>  <CAS_Number>
89639-74-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0041P2

>  <Chemical_Name>
Methyl 4-amino-5-bromothiophene-2-carboxylate

>  <CAS_Number>
89499-51-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG004J15

>  <Chemical_Name>
Methyl 5-iodothiophene-2-carboxylate

>  <CAS_Number>
88105-22-0

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  6  9  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG004QHL

>  <Chemical_Name>
4-Bromo-2-nitrothiophene

>  <CAS_Number>
85598-49-8

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.0634    2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4721    2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317    1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944   -1.5217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1317    1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0721    2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6634    2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3142    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3737   -0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7825   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 13  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0054A7

>  <Chemical_Name>
3-Thiophenecarboxylicacid, 4,5-dihydro-4-oxo-2-(phenylamino)-, ethyl ester

>  <CAS_Number>
78267-15-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005DOI

>  <Chemical_Name>
Methyl 4-bromothiophene-3-carboxylate

>  <CAS_Number>
78071-37-1

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005FXD

>  <Chemical_Name>
METHYL 5-BROMO-1-BENZOTHIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
7312-11-0

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.6489    2.0373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2778   -0.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161   -3.0349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005GLO

>  <Chemical_Name>
2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

>  <CAS_Number>
77651-38-8

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.5122   -0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2178    0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239   -3.1179    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    1.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
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  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Catalog_Number>
AG005JCS

>  <Chemical_Name>
Ethyl 5-chloro-4-formylthiophene-2-carboxylate

>  <CAS_Number>
74598-06-4

$$$$

  -INDIGO-08032105172D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005LWA

>  <Chemical_Name>
3-(2,2,2-trifluoro-acetylaMino)-thiophene-2-carboxylicacidMethylester

>  <CAS_Number>
79128-68-0

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.8070    1.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005OZP

>  <Chemical_Name>
4-Methoxythiophene-3-carboxylic acid

>  <CAS_Number>
71050-40-3

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.4460    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2944   -0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0434   -0.9889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG005PYA

>  <Chemical_Name>
4-Methylthiophene-3-carbonitrile

>  <CAS_Number>
73229-39-7

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -9.7411    0.5267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1761    0.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6110    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9602    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690    2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4220    0.1214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9834   -3.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005R0N

>  <Chemical_Name>
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile

>  <CAS_Number>
676501-85-2

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005R90

>  <Chemical_Name>
2-Bromo-3-chlorothiophene

>  <CAS_Number>
77893-68-6

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5541   -2.1236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005VBZ

>  <Chemical_Name>
Methyl 4,5-dichloro-3-hydroxythiophene-2-carboxylate

>  <CAS_Number>
96232-70-1

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005W1D

>  <Chemical_Name>
Ethyl 5-chloro-4-methylthiophene-2-carboxylate

>  <CAS_Number>
74598-04-2

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.1105    1.3865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -2.5889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005W88

>  <Chemical_Name>
2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

>  <CAS_Number>
70291-62-2

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235   -0.3710    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005X0F

>  <Chemical_Name>
5-TRIFLUOROMETHYL-THIOPHENE-2-BORONIC ACID

>  <CAS_Number>
958451-91-7

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.9179   -1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG005YHI

>  <Chemical_Name>
7-Bromo-2-methylbenzo[b]thiophene

>  <CAS_Number>
75288-49-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0060B9

>  <Chemical_Name>
Methyl 4-aminothiophene-3-carboxylate

>  <CAS_Number>
69363-85-5

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG0060LF

>  <Chemical_Name>
5-Methylthiophene-2-carbonitrile

>  <CAS_Number>
72835-25-7

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Cl  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006143

>  <Chemical_Name>
3-Chlorothiophene-2-carbaldehyde

>  <CAS_Number>
67482-48-8

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.0906   -2.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289   -2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397   -0.0620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -1.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  2  11   1  13  -1
M  END
>  <Catalog_Number>
AG006398

>  <Chemical_Name>
Methyl 3-hydroxy-5-nitrothiophene-2-carboxylate

>  <CAS_Number>
89380-77-8

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG006CG4

>  <Chemical_Name>
6-Methoxybenzo[b]thiophene

>  <CAS_Number>
90560-10-4

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006CQ0

>  <Chemical_Name>
Methyl 3-amino-5-iodo-2-thiophenecarboxylate

>  <CAS_Number>
942589-45-9

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.4000    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    4.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -1.5217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    4.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  3  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006E4G

>  <Chemical_Name>
Benzo[b]thiophene, 5,6-dimethoxy-

>  <CAS_Number>
91715-47-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG006F0P

>  <Chemical_Name>
4-Chlorothiophene-2-carbonitrile

>  <CAS_Number>
910553-55-8

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.4214   -2.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006HC5

>  <Chemical_Name>
2-AMINO-6-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

>  <CAS_Number>
68746-25-8

$$$$

  -INDIGO-08032105172D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9235   -1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4886   -0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6558    0.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1941    1.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2208    1.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0208   -0.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9502   -1.3328    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6121   -0.3110    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   11.4121   -1.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9771   -1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1444    0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6827    0.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7094   -0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6388    1.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1444   -2.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5771   -1.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006HUJ

>  <Chemical_Name>
2,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophene

>  <CAS_Number>
924894-85-9

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -3.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2586   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    1.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3817    1.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7144   -0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3287   -1.0086    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1761   -0.8593    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006M1N

>  <Chemical_Name>
5-BROMOTHIOPHENE-2-BORONIC ACID PINACOL ESTER

>  <CAS_Number>
676501-84-1

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006O46

>  <Chemical_Name>
Methyl 5-chloro-3-hydroxythiophene-2-carboxylate

>  <CAS_Number>
953092-76-7

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.7962   -3.8332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2178   -0.3611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3850   -1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161   -3.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566   -1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161   -0.4460    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG006VNW

>  <Chemical_Name>
3-(Dimethylamino)-2-(thiophene-2-carbonyl)acrylonitrile

>  <CAS_Number>
52200-22-3

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.2578   -4.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0906   -2.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289   -2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -1.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992   -1.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2698   -0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7754    0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
M  END
>  <Catalog_Number>
AG006X2F

>  <Chemical_Name>
Ethyl 2-amino-5-phenylthiophene-3-carboxylate

>  <CAS_Number>
4815-34-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006XHJ

>  <Chemical_Name>
4-Methylthiophene-2-carboxylic acid

>  <CAS_Number>
14282-78-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006XHM

>  <Chemical_Name>
4-(Hydroxymethyl)thiophene-2-carboxylic acid

>  <CAS_Number>
14282-65-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006YQE

>  <Chemical_Name>
5-Chlorothiophene-2-carboxamide

>  <CAS_Number>
22353-82-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0071W9

>  <Chemical_Name>
5-Chlorothiophene-2-carbonyl chloride

>  <CAS_Number>
42518-98-9

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.8070    1.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -1.2202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007266

>  <Chemical_Name>
5-Chloro-4-methoxythiophene-3-carboxylic acid

>  <CAS_Number>
133659-14-0

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.9431   -1.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00726U

>  <Chemical_Name>
2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

>  <CAS_Number>
4651-91-6

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -5.5475    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0073QJ

>  <Chemical_Name>
Thieno[3,2-b]thiophene-2-carbonitrile

>  <CAS_Number>
40985-58-8

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.6070    2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967   -0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007527

>  <Chemical_Name>
5,6-Dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid

>  <CAS_Number>
40133-06-0

$$$$

  -INDIGO-08032105172D

 23 23  0  0  1  0  0  0  0  0999 V2000
    9.1863   -3.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5951   -3.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6546   -2.0871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4126   -3.7160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3036    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3649    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0157    2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0753    3.4251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6070    2.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2577    3.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8490    3.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  4  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0078PS

>  <Chemical_Name>
(S)-Diethyl 2-(5-(methylamino)thiophene-2-carboxamido)pentanedioate

>  <CAS_Number>
112889-02-8

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.6618    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <Catalog_Number>
AG007ARM

>  <Chemical_Name>
Methyl 5-bromo-4-nitrothiophene-2-carboxylate

>  <CAS_Number>
38239-32-6

$$$$

  -INDIGO-08032105172D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -8.1011    2.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3450    2.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1777    3.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889    1.8809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3540    2.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2349   -0.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455    3.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    2.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0756    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007BQD

>  <Chemical_Name>
Methyl 3-(N-(2-methoxy-2-oxoethyl)sulfamoyl)thiophene-2-carboxylate

>  <CAS_Number>
106820-63-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007D58

>  <Chemical_Name>
2-Bromo-5-propylthiophene

>  <CAS_Number>
172319-75-4

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -2.4000    1.3856    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG007D5O

>  <Chemical_Name>
7-Fluorobenzo[b]thiophene

>  <CAS_Number>
346592-74-3

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007IFG

>  <Chemical_Name>
Thiophene, 3-bromo-2,5-dimethyl-

>  <CAS_Number>
31819-37-1

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -3.9431   -1.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG007N9P

>  <Chemical_Name>
Benzo[b]thiophene-3-carbonitrile

>  <CAS_Number>
24434-84-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007NMV

>  <Chemical_Name>
5-(DIMETHYLAMINO)THIOPHENE-2-CARBALDEHYDE

>  <CAS_Number>
24372-46-1

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -5.5426    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  5  6  4  0  0  0  0
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 10 11  4  0  0  0  0
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 14  9  4  0  0  0  0
 14 15  4  0  0  0  0
 15  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG007PM8

>  <Chemical_Name>
Dibenzo[b,d]thiophene-2-carbaldehyde

>  <CAS_Number>
22099-23-6

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 11  6  4  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007REU

>  <Chemical_Name>
Methyl 5-methoxybenzo[b]thiophene-2-carboxylate

>  <CAS_Number>
19492-99-0

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
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  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG007XG0

>  <Chemical_Name>
Benzo[b]thiophene-6-carbonitrile

>  <CAS_Number>
154650-81-4

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
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   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG007Z2M

>  <Chemical_Name>
4-Methylbenzo[b]thiophene

>  <CAS_Number>
14315-11-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.7561    0.2897    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
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  5  6  4  0  0  0  0
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  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00802V

>  <Chemical_Name>
5-(BROMOMETHYL)THIOPHENE-2-CARBONITRILE

>  <CAS_Number>
134135-41-4

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0080OA

>  <Chemical_Name>
3-(2-Ethylhexyl)thiophene

>  <CAS_Number>
121134-38-1

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG0084MV

>  <Chemical_Name>
2-Bromo-5-ethynylthiophene

>  <CAS_Number>
105995-73-1

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
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M  END
>  <Catalog_Number>
AG0084V0

>  <Chemical_Name>
5-methyl-2-Thiophenemethanamine

>  <CAS_Number>
104163-34-0

$$$$

  -INDIGO-08032105172D

  6  6  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5747    0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0085JW

>  <Chemical_Name>
3-Iodothiophene

>  <CAS_Number>
10486-61-0

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0087GA

>  <Chemical_Name>
Methyl 4,5-dichlorothiophene-2-carboxylate

>  <CAS_Number>
89281-29-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008ILY

>  <Chemical_Name>
5-Bromo-2,3-dichlorothiophene

>  <CAS_Number>
83663-36-9

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008J0V

>  <Chemical_Name>
5-Fluoro-2-thiopheneMethanol

>  <CAS_Number>
824983-56-4

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.9405    1.2944    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -2.4621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008M0Z

>  <Chemical_Name>
3-Bromo-2,4-dimethylthiophene

>  <CAS_Number>
79485-96-4

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008M82

>  <Chemical_Name>
3,4-Diaminothiophene

>  <CAS_Number>
78637-85-1

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.0218    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008NQL

>  <Chemical_Name>
4-Methylthiophene-3-carboxylic acid

>  <CAS_Number>
78071-30-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008NUV

>  <Chemical_Name>
Methyl 2-bromothiophene-3-carboxylate

>  <CAS_Number>
76360-43-5

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008NWO

>  <Chemical_Name>
Methyl 5-Methoxy-2-thiophenecarboxylate

>  <CAS_Number>
77133-25-6

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.8998   -1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107   -0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564   -2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529    2.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008RZ4

>  <Chemical_Name>
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER

>  <CAS_Number>
108354-78-5

$$$$

  -INDIGO-08032105172D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -6.9282    0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -3.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1323   -3.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 11  4  0  0  0  0
  8 18  1  0  0  0  0
  5 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008TEC

>  <Chemical_Name>
Benzo[b]thiophene-2-Methanol, α-(5-broMo-2-fluorophenyl)-

>  <CAS_Number>
1034305-11-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008TL4

>  <Chemical_Name>
Methyl 4-broMo-5-chlorothiophene-2-carboxylate

>  <CAS_Number>
1047630-72-7

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008VC1

>  <Chemical_Name>
Methyl 6-chlorobenzo[b]thiophene-2-carboxylate

>  <CAS_Number>
104795-85-9

$$$$

  -INDIGO-08032105172D

 21 22  0  0  0  0  0  0  0  0999 V2000
  -15.3022    3.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8405    4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5461    3.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0844    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7900    2.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3283    3.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0339    2.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5722    3.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2778    2.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    3.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6489    4.6261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460   -2.8161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 15 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 14  4  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008VP4

>  <Chemical_Name>
Octyl 4,6-DibroMothieno[3,4-b]thiophene-2-carboxylate

>  <CAS_Number>
1160823-85-7

$$$$

  -INDIGO-08032105172D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    5.3036    3.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
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 11 13  1  0  0  0  0
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 15 16  4  0  0  0  0
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 17 18  4  0  0  0  0
 18 13  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00920B

>  <Chemical_Name>
2-(4-Bromophenyl)-5-phenylthiophene

>  <CAS_Number>
118621-30-0

$$$$

  -INDIGO-08032105172D

 25 26  0  0  0  0  0  0  0  0999 V2000
  -20.8144    4.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 16  4  0  0  0  0
 19 21  4  0  0  0  0
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 22 23  4  0  0  0  0
 23 18  4  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00940Y

>  <Chemical_Name>
4,6-Dibromothieno[3,4-b]thiophene-2-carboxylic acid dodecyl ester

>  <CAS_Number>
1098102-93-2

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.1825    0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0094PO

>  <Chemical_Name>
5-chlorothiophene-3-carbonitrile

>  <CAS_Number>
1108712-56-6

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2158    1.7943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Catalog_Number>
AG009WCV

>  <Chemical_Name>
2-Chlorothiophene-3-carbaldehyde

>  <CAS_Number>
14345-98-3

$$$$

  -INDIGO-08032105172D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   -4.6261    2.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
  7 13  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Catalog_Number>
AG009YF7

>  <Chemical_Name>
methyl 5-(tert-butoxycarbonyl)-4-nitrothiophene-2-carboxylate

>  <CAS_Number>
1351238-59-9

$$$$

  -INDIGO-08032105172D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2996    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0051    1.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0052    3.1166    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8213    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 13  4  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00ABHI

>  <Chemical_Name>
2-Thiophenecarboxylicacid, 3-[[(4-chloro-3-Methyl-5-isoxazolyl)aMino]sulfonyl]-

>  <CAS_Number>
184040-74-2

$$$$

  -INDIGO-08032105172D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    1.3856    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930    2.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334    1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0334    3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0334    1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0334    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4334    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6334    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4334    2.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0334    2.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8334    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4334    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2334    2.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4334    4.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8334    4.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 16  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00ABTO

>  <Chemical_Name>
Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate)

>  <CAS_Number>
155090-83-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00AOJ2

>  <Chemical_Name>
5-BROMOTHIOPHENE-2-BORONIC ACID

>  <CAS_Number>
162607-17-2

$$$$

  -INDIGO-08032105172D

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0640    0.2585    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    1.5529    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9148    0.0000    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  CHG  2   2  -1  10   1
M  END
>  <Catalog_Number>
AG00AQ18

>  <Chemical_Name>
POTASSIUM 3-THIOPHENETRIFLUOROBORATE

>  <CAS_Number>
192863-37-9

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00AR4K

>  <Chemical_Name>
2-Thiophenecarboxylic acid, tetrahydro-

>  <CAS_Number>
19418-11-2

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1235   -0.3710    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00BBPR

>  <Chemical_Name>
2-BROMO-5-BENZOYLTHIOPHENE

>  <CAS_Number>
31161-46-3

$$$$

  -INDIGO-08032105172D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -6.6670    1.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1453    2.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912    1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0852    2.9295    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3010    4.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8922    4.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 13  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BEAU

>  <Chemical_Name>
5,5'-(2,5-FURANDIYL)BIS-2-THIOPHENEMETHANOL

>  <CAS_Number>
213261-59-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BYHM

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-fluoro-

>  <CAS_Number>
32431-84-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BZJI

>  <Chemical_Name>
5-CHLOROTHIOPHENE-3-CARBOXYLIC ACID

>  <CAS_Number>
36157-42-3

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BZOY

>  <Chemical_Name>
5-Hydroxymethylthiophene-2-boronic acid

>  <CAS_Number>
338454-45-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00C0ET

>  <Chemical_Name>
2-ACETYL-3-BROMOTHIOPHENE

>  <CAS_Number>
42877-08-7

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00C0GU

>  <Chemical_Name>
BENZO[B]THIOPHENE-2-CARBOXALDEHYDE

>  <CAS_Number>
3541-37-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00C0QQ

>  <Chemical_Name>
3-Bromo-5-methyl-2-thiophenecarboxaldehyde

>  <CAS_Number>
36155-82-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00C1VV

>  <Chemical_Name>
4-Bromo-5-methyl-2-thiophenecarbaldehyde

>  <CAS_Number>
29421-75-8

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
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   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00C1WM

>  <Chemical_Name>
4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
23967-57-9

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Catalog_Number>
AG00C1X7

>  <Chemical_Name>
2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBONITRILE

>  <CAS_Number>
23917-22-8

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Catalog_Number>
AG00C5B9

>  <Chemical_Name>
3-AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER

>  <CAS_Number>
34761-09-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Catalog_Number>
AG00C6JA

>  <Chemical_Name>
Methyl-5-chlorothiophene-2-carboxylate

>  <CAS_Number>
35475-03-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0  0  0  0
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  3  4  4  0  0  0  0
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  5  6  4  0  0  0  0
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  6  8  1  0  0  0  0
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M  END
>  <Catalog_Number>
AG00C6US

>  <Chemical_Name>
2-NITROTHIOPHENE-4-CARBONITRILE

>  <CAS_Number>
42137-24-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  4  4  0  0  0  0
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  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00C757

>  <Chemical_Name>
5-BROMO-3-METHYLTHIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
38239-45-1

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 11 12  4  0  0  0  0
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 14  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00C88N

>  <Chemical_Name>
METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
35212-85-2

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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M  END
>  <Catalog_Number>
AG00C8AJ

>  <Chemical_Name>
4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
40133-07-1

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Catalog_Number>
AG00C8B2

>  <Chemical_Name>
4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

>  <CAS_Number>
360575-29-7

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Catalog_Number>
AG00C8DN

>  <Chemical_Name>
6-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTER

>  <CAS_Number>
360576-01-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Catalog_Number>
AG00C8ET

>  <Chemical_Name>
3-Methoxythiophene-2-carbaldehyde

>  <CAS_Number>
35134-07-7

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00CHA2

>  <Chemical_Name>
Thieno[3,2-b]thiophene-2,5-dicarboxaldehyde

>  <CAS_Number>
37882-75-0

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Catalog_Number>
AG00CJAV

>  <Chemical_Name>
3,6-DICHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
34576-94-8

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00CLXJ

>  <Chemical_Name>
METHYL 3-HYDROXY-4,5-DIMETHYLTHIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
32822-84-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00CLY7

>  <Chemical_Name>
Methyl 4-fluorothiophene-2-carboxylate

>  <CAS_Number>
32431-75-7

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
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  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12  5  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00CM48

>  <Chemical_Name>
5-BROMO-1,3-DIHYDRO-BENZO(C)THIOPHENE 2,2-DIOXIDE

>  <CAS_Number>
351005-12-4

$$$$

  -INDIGO-08032105172D

 34 35  0  0  0  0  0  0  0  0999 V2000
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 17 13  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  4  0  0  0  0
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 20 21  4  0  0  0  0
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 22 18  4  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00CM70

>  <Chemical_Name>
4,4'-didodecyl-2,2'-bithiophene

>  <CAS_Number>
345633-76-3

$$$$

  -INDIGO-08032105172D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   11.9365   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1365   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
 15 16  1  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  2  0  0  0  0
 25 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 24  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00CMP8

>  <Chemical_Name>
3-(2-Chlorobenzoyl)-5-ethyl-2-(phtalimidoacetamido)thiophene

>  <CAS_Number>
42753-80-0

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00CN85

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4-fluoro-

>  <CAS_Number>
32431-72-4

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -5.3036   -0.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179   -1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00CNFN

>  <Chemical_Name>
Naphtho[1,2-b]thiophene-2-methanol

>  <CAS_Number>
35813-68-4

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG00CNZE

>  <Chemical_Name>
2-ACETYL-4-NITROTHIOPHENE

>  <CAS_Number>
42791-51-5

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.0000    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00CRHD

>  <Chemical_Name>
5-(4-BROMOPHENYL)THIOPHENE-2-CARBALDEHYDE

>  <CAS_Number>
38401-70-6

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
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   -1.0218    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0363    0.9214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00D8UE

>  <Chemical_Name>
2-AMINO-4-PHENYL-3-THIOPHENECARBONITRILE

>  <CAS_Number>
4651-73-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D8UM

>  <Chemical_Name>
2-AMINO-5-METHYL-3-THIOPHENECARBOXAMIDE

>  <CAS_Number>
51486-03-4

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D8UN

>  <Chemical_Name>
3-BROMOTHIOPHENE-5-BORONIC ACID

>  <CAS_Number>
499769-92-5

$$$$

  -INDIGO-08032105172D

  9  8  0  0  0  0  0  0  0  0999 V2000
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    0.9405    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3317    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8967    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00D8X2

>  <Chemical_Name>
2-AMIDINOTHIOPHENE HYDROCHLORIDE

>  <CAS_Number>
54610-70-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
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  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D8XF

>  <Chemical_Name>
3-Hydroxythiophene-2-carboxylic acid

>  <CAS_Number>
5118-07-0

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
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  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D9MJ

>  <Chemical_Name>
5-CHLORO-3-METHYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
50451-84-8

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
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  6  8  1  0  0  0  0
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 15 10  4  0  0  0  0
 15 16  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DAFX

>  <Chemical_Name>
2-Amino-3-o-chlorobenzoyl-5-ethylthiophene

>  <CAS_Number>
50508-60-6

$$$$

  -INDIGO-08032105172D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -1.2586   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3433   -2.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
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 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 15  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00DAGL

>  <Chemical_Name>
2-PHENYLTHIOPHENE-5-BORONIC ACID PINACOL ESTER

>  <CAS_Number>
459409-74-6

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  1  0  0  0  0
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 15 10  4  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DB6O

>  <Chemical_Name>
2-AMino-3-(p-chlorobenzoyl)-4,5-diMethylthiophene

>  <CAS_Number>
50508-66-2

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00DBF6

>  <Chemical_Name>
5-CHLORO-2-THIOPHENECARBONITRILE

>  <CAS_Number>
50478-16-5

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.0621   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
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  6  2  4  0  0  0  0
  5  7  4  0  0  0  0
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  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00DBLU

>  <Chemical_Name>
2-BROMOBENZO[B]THIOPHENE

>  <CAS_Number>
5394-13-8

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DC5X

>  <Chemical_Name>
5-(METHOXYCARBONYL)THIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
50340-79-9

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
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   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00DCMC

>  <Chemical_Name>
7-Fluorobenzo[b]thiophene-2-carboxylic acid

>  <CAS_Number>
550998-67-9

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.9233   -1.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6794   -1.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9739   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 Br  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  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DD5E

>  <Chemical_Name>
2-BROMO-4-(N-TERT-BUTYLOXYCARBONYLAMINO)THIOPHENE

>  <CAS_Number>
494833-75-9

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DD5X

>  <Chemical_Name>
METHYL 2-AMINO-4-METHYL-3-THIOPHENE CARBOXYLATE

>  <CAS_Number>
4651-98-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Catalog_Number>
AG00DDMC

>  <Chemical_Name>
2-Chlorothiophene-3-carboxylic acid

>  <CAS_Number>
53935-71-0

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    1.3856   -2.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00DDSZ

>  <Chemical_Name>
4-BROMO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
5194-37-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
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  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DDX6

>  <Chemical_Name>
2-Acetyl-5-bromothiophene

>  <CAS_Number>
5370-25-2

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG00DDZ0

>  <Chemical_Name>
5-Nitrobenzothiophene

>  <CAS_Number>
4965-26-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG00DEEQ

>  <Chemical_Name>
2-CHLORO-3-NITROTHIOPHENE

>  <CAS_Number>
5330-98-3

$$$$

  -INDIGO-08032105172D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -5.5426    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 13  4  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  4  0  0  0  0
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 28 24  4  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  CHG  2  29   1  31  -1
M  END
>  <Catalog_Number>
AG00DF2R

>  <Chemical_Name>
(E)-N-[4-[N-(3-Methoxypyrazin-2-yl)sulfaMoyl]phenyl]-3-(5-nitrothiophene-2-yl)acrylaMide

>  <CAS_Number>
432531-71-0

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  8  3  4  0  0  0  0
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  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DFJV

>  <Chemical_Name>
4-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
476199-14-1

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
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    1.3856   -2.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00DHWQ

>  <Chemical_Name>
METHYL 7-BROMO-1-BENZOTHIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
550998-53-3

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DHXW

>  <Chemical_Name>
2-BroMo-4-Methylthiophene

>  <CAS_Number>
53119-60-1

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00DHZA

>  <Chemical_Name>
5-AMinothiophene-2-carbonitrile

>  <CAS_Number>
52532-63-5

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DI63

>  <Chemical_Name>
6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

>  <CAS_Number>
550998-58-8

$$$$

  -INDIGO-08032105172D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9865    0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DKKQ

>  <Chemical_Name>
3,4-Thiophenedicarboxylic acid, diethyl ester

>  <CAS_Number>
53229-47-3

$$$$

  -INDIGO-08032105172D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -8.0748    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6892    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267    0.3181    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0973   -0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -2.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6886   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393    0.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6290   -1.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2202   -1.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1607   -3.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DKZY

>  <Chemical_Name>
2',3'-d]thiophene-2,5-dicarboxylic acid diethyl ester

>  <CAS_Number>
502764-52-5

$$$$

  -INDIGO-08032105172D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -6.0491    3.5905    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4578    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7475    0.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0434   -0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5651   -1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214    1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998    1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671    3.2118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271   -3.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1488   -4.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 13  4  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DLDB

>  <Chemical_Name>
2-(Chloroacetylamino)-3-(o-chlorobenzoyl)-5-ethylthiophene

>  <CAS_Number>
50508-89-9

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DLVG

>  <Chemical_Name>
methyl4-amino-5-methylthiophene-2-carboxylate

>  <CAS_Number>
501082-56-0

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DVYN

>  <Chemical_Name>
6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

>  <CAS_Number>
550998-52-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00E5M4

>  <Chemical_Name>
Methyl 2-aMino-5-chlorothiophene-3-carboxylate

>  <CAS_Number>
55503-06-5

$$$$

  -INDIGO-08032105172D

 29 33  0  0  0  0  0  0  0  0999 V2000
   -6.3089    3.6846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0145    4.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5528    3.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6800    1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    2.5323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1674   -2.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380   -3.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2975   -1.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    3.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2753    3.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3459    2.4597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8515    0.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864    0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
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 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 10 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 18  4  0  0  0  0
  9 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 24  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00E8Z3

>  <Chemical_Name>
2,3,4,5-TETRA-(4-PYRIDYL) THIOPHENE

>  <CAS_Number>
64048-12-0

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00E9ET

>  <Chemical_Name>
2,4-DIMETHYLTHIOPHENE

>  <CAS_Number>
638-00-6

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9233   -1.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00E9J5

>  <Chemical_Name>
Ethyl 2-thiopheneacetate

>  <CAS_Number>
57382-97-5

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00E9PR

>  <Chemical_Name>
ETHYL 5-CHLOROTHIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
5751-82-6

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <Catalog_Number>
AG00E9TH

>  <Chemical_Name>
5-NITRO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
6345-55-7

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EAED

>  <Chemical_Name>
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID

>  <CAS_Number>
5936-58-3

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.8070    1.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EAHE

>  <Chemical_Name>
3-Methoxythiophene-2-carboxylic acid

>  <CAS_Number>
60166-83-8

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161    2.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833    2.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3450    2.1706    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EAO8

>  <Chemical_Name>
2-AMINOTHIOPHENE-3-CARBOXYLIC ACID T-BUTYL ESTER

>  <CAS_Number>
59739-05-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Cl  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EB07

>  <Chemical_Name>
2,5-DICHLOROTHIOPHENE-3-CARBALDEHYDE, 97

>  <CAS_Number>
61200-60-0

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EBY2

>  <Chemical_Name>
ETHYL 2-AMINO-5-BROMOTHIOPHENE-3-CARBOXYLATE

>  <CAS_Number>
56387-07-6

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214   -3.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EEBU

>  <Chemical_Name>
2-Amino-5-isopropyl-thiophene-3-carboxylic acid ethyl ester

>  <CAS_Number>
65416-85-5

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -9.0320    2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5103    3.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
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 10 15  1  0  0  0  0
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M  END
>  <Catalog_Number>
AG00EEHI

>  <Chemical_Name>
5-METHOXYTHIOPHENE-2-BORONIC ACID PINACOL ESTER

>  <CAS_Number>
596819-12-4

$$$$

  -INDIGO-08032105172D

 17 19  0  0  0  0  0  0  0  0999 V2000
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    3.8478    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6191    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  4  0  0  0  0
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 16 10  4  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EEPO

>  <Chemical_Name>
2-(4-Hydroxyphenyl)benzo[b]thiophene-6-ol

>  <CAS_Number>
63676-22-2

$$$$

  -INDIGO-08032105172D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EFTN

>  <Chemical_Name>
5'-HEXYL-2,2'-BITHIOPHENE-5-BORONIC ACID PINACOL ESTER

>  <CAS_Number>
579503-59-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
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  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EGL0

>  <Chemical_Name>
4-broMo-5-chlorothiophene-2-carboxylic acid

>  <CAS_Number>
60729-37-5

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
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    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EIEB

>  <Chemical_Name>
3-Bromo-2-iodo-thiophene

>  <CAS_Number>
60404-24-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
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    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
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  8  4  4  0  0  0  0
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  6 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EJBN

>  <Chemical_Name>
2-ACETYL-4,5-DICHLOROTHIOPHENE

>  <CAS_Number>
57681-59-1

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7431   -3.1942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00EJV2

>  <Chemical_Name>
Methyl 4-broMo-5-cyano-3-Methylthiophene-2-carboxylate

>  <CAS_Number>
648412-55-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EKC0

>  <Chemical_Name>
3-Iodo-thiophene-2-carboxylic acid Methyl ester

>  <CAS_Number>
62353-77-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EKDV

>  <Chemical_Name>
5-Iodo-thiophene-2-carboxylic acid

>  <CAS_Number>
60166-85-0

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.5426    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00EKK5

>  <Chemical_Name>
benzothiophene-6-carbaldehyde

>  <CAS_Number>
6386-80-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EKTV

>  <Chemical_Name>
METHYL 4-CHLORO-3-HYDROXYTHIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
65449-59-4

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.5426    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00EO89

>  <Chemical_Name>
Benzo[b]thiophene-6-Methanol

>  <CAS_Number>
6179-28-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00FAP3

>  <Chemical_Name>
5-Chlorothiophene-2-ylmethanol

>  <CAS_Number>
74168-69-7

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    4.1659    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00FFNB

>  <Chemical_Name>
4,6-DibroMo-Dibenzothiophene

>  <CAS_Number>
669773-34-6

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455    3.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    2.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00FGYL

>  <Chemical_Name>
Ethyl 2-aMino-4-isopropylthiophene-3-carboxylate

>  <CAS_Number>
72965-16-3

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    2.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00FH71

>  <Chemical_Name>
Ethyl 2-forMylthiophene-3-carboxylate

>  <CAS_Number>
67808-70-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00FHS1

>  <Chemical_Name>
methyl 4-amino-5-methylthiophene-3-carboxylate

>  <CAS_Number>
66319-09-3

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1674   -2.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2269   -0.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00G1IQ

>  <Chemical_Name>
3-(2-Methoxyphenyl)thiophene-2-carboxylic acid

>  <CAS_Number>
666841-74-3

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00G2VZ

>  <Chemical_Name>
METHYL 3-AMINO-5-METHYLTHIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
76575-71-8

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00G71F

>  <Chemical_Name>
5-Bromo-3-chlorothiophene-2-carboxylic acid

>  <CAS_Number>
842135-76-6

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.2754    3.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3781    2.1412    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00G71P

>  <Chemical_Name>
3-(trifluoroMethyl)thiophene-2-carboxylic acid

>  <CAS_Number>
767337-59-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00G96Q

>  <Chemical_Name>
4,5-Dichloro-3-methylthiophene-2-carboxylic acid

>  <CAS_Number>
854626-34-9

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00GSWA

>  <Chemical_Name>
7-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
90407-16-2

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00GTTG

>  <Chemical_Name>
5-BROMO-N-ISOPROPYLTHIOPHENE-2-CARBOXAMIDE

>  <CAS_Number>
908494-87-1

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  6  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  5  4  0  0  0  0
  2 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00GV0A

>  <Chemical_Name>
3-Methyl-benzo[b]thiophene-2-boronic acid

>  <CAS_Number>
912331-27-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00GZNY

>  <Chemical_Name>
Methyl 5-broMothiophene-3-carboxylate

>  <CAS_Number>
88770-19-8

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -7.5957   -2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.6618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
M  CHG  2  11   1  13  -1
M  END
>  <Catalog_Number>
AG00H0ZN

>  <Chemical_Name>
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate

>  <CAS_Number>
89640-03-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00H2AI

>  <Chemical_Name>
thiophene-2,4-dicarbaldehyde

>  <CAS_Number>
932-93-4

$$$$

  -INDIGO-08032105172D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -9.4605    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -8.0748    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0748   -1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6892   -1.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3036   -1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3036    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6892    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179   -1.8617    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 11  4  0  0  0  0
  5 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HA2N

>  <Chemical_Name>
2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene

>  <CAS_Number>
1034305-17-3

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HCXL

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 4-amino-2-methyl-, methyl ester

>  <CAS_Number>
114943-05-4

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1417    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473    0.1492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1236    3.5541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3383    3.9179    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272   -2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289   -2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HFP2

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4,5-dichloro-3-methoxy-

>  <CAS_Number>
120715-49-3

$$$$

  -INDIGO-08032105172D

 25 23  0  0  0  0  0  0  0  0999 V2000
    4.4790    8.4860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6463    6.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135    5.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992    4.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8665    2.9385    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2753    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    4.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    4.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    6.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356    7.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4753    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8753    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2753    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6608    5.1543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8281    6.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2898    7.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5842    6.4559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4570    8.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    4.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7880    2.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3264    1.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0825    1.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7842    0.0000    0.0000 Sr  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.1876    0.0000 Sr  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  CHG  6  11  -1  14  -1  19  -1  23  -1  24   2  25   2
M  END
>  <Catalog_Number>
AG00HU5I

>  <Chemical_Name>
3-Thiopheneacetic acid,5-[bis(carboxymethyl)amino]-2-carboxy-4-cyano-, strontium salt (1:2)

>  <CAS_Number>
135459-87-9

$$$$

  -INDIGO-08032105172D

 29 32  0  0  1  0  0  0  0  0999 V2000
   -4.6951   -0.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007    0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2713    1.7127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8363    1.3801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3308   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2601   -1.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8958   -0.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9069    2.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4720    2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6610    3.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0466    2.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7140    0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1228    0.7748    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7846   -0.2470    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356    0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -3.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    4.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    4.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    2.5889    0.0000 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
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 12 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 18  4  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 17  1  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 24  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00I4BD

>  <Chemical_Name>
2-Thiophenepropanoicacid, 5-bromo-a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aS)-

>  <CAS_Number>
220497-50-7

$$$$

  -INDIGO-08032105172D

 31 32  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    3.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5644    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7316    2.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4372    3.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9755    3.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8083    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6811    4.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5138    2.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1933    3.4721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4877    2.5317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3205    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6149    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8588    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9494    3.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2438    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2438    0.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7655    0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7060    1.4420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.7655    2.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
 22 21  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 27  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00I4GR

>  <Chemical_Name>
3-Thiophenepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)-

>  <CAS_Number>
226880-86-0

$$$$

  -INDIGO-08032105172D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.7713   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6186    0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6892    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8892    2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3242    2.3912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
  9 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 16  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00I5XM

>  <Chemical_Name>
N-Benzhydrylthiophene-2-carboxamide

>  <CAS_Number>
313969-31-2

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I5XW

>  <Chemical_Name>
Thiophene, 2,3,5-tribromo-

>  <CAS_Number>
3141-24-0

$$$$

  -INDIGO-08032105172D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0851    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4708    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4708    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8564    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0237   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5887   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3887   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3181    0.6508    0.0000 S   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 20  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00I6GI

>  <Chemical_Name>
N,N'-(1,3-Phenylenebis(methylene))bis(thiophene-2-carboxamide)

>  <CAS_Number>
331987-72-5

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  2  14   1  16  -1
M  END
>  <Catalog_Number>
AG00I6QF

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 7-nitro-, methyl ester

>  <CAS_Number>
34084-89-4

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I7ZC

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-acetyl-

>  <CAS_Number>
4066-41-5

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I8RL

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl ester

>  <CAS_Number>
4815-24-1

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.1492    2.8473    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    2.5868    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I990

>  <Chemical_Name>
2,2'-Bithiophene, 3,3'-dibromo-

>  <CAS_Number>
51751-44-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I9K6

>  <Chemical_Name>
2-Thiophenesulfonamide, 5-chloro-

>  <CAS_Number>
53595-66-7

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.6621   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00I9UM

>  <Chemical_Name>
Benzo[b]thiophene-2-carbonitrile

>  <CAS_Number>
55219-11-9

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
>  <Catalog_Number>
AG00IA5J

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-methyl-4-nitro-, methyl ester

>  <CAS_Number>
56921-01-8

$$$$

  -INDIGO-08032105172D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -6.0038    3.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634    2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4721    2.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317    1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825   -0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944   -1.5217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5378   -2.5105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -4.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1317    1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0721    2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6634    2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 10 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IACP

>  <Chemical_Name>
ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate

>  <CAS_Number>
58168-20-0

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.7737    0.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00IAJE

>  <Chemical_Name>
2-Thiophenepropanoic acid

>  <CAS_Number>
5928-51-8

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.5722    0.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2778   -0.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6489    2.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    1.5217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273    2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    1.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889    3.0434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IAJL

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester

>  <CAS_Number>
59337-93-8

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.9233   -1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7962   -3.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778   -2.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2182   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778    0.2047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00IBOS

>  <Chemical_Name>
2-Thiophenepropanoic acid, a-(acetylamino)-

>  <CAS_Number>
67206-07-9

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00ICFX

>  <Chemical_Name>
2-Thiophenecarbonitrile, 4-amino-

>  <CAS_Number>
73781-74-5

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00ICMA

>  <Chemical_Name>
7-Chloro-3-methylbenzo[b]thiophene-2-carboxylic acid

>  <CAS_Number>
752135-41-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00ICQE

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-chloro-, methyl ester

>  <CAS_Number>
76360-42-4

$$$$

  -INDIGO-08032105172D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.3649    0.6690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036   -1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892   -1.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892   -3.4617    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.0748   -1.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0748    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892    2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 14  4  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IFUY

>  <Chemical_Name>
2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

>  <CAS_Number>
898566-17-1

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541   -2.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IG4P

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 7-chloro-3-hydroxy-

>  <CAS_Number>
90407-11-7

$$$$

  -INDIGO-08032105172D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    1.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889    3.9743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2178    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7924    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3575    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281    0.6053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6281    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IGSS

>  <Chemical_Name>
Methyl 4-(aminomethyl)thiophene-2-carboxylate, HCl

>  <CAS_Number>
916214-44-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IH5H

>  <Chemical_Name>
Thiophene, 2-bromo-5-(difluoromethyl)-

>  <CAS_Number>
924646-90-2

$$$$

  -INDIGO-08032105172D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -5.3036   -0.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179   -1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706   -2.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238   -2.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  6 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00IHHI

>  <Chemical_Name>
2-(Hydroxymethyl)naphtho[1,2-b]thiophene 1,1-dioxide

>  <CAS_Number>
931114-41-9

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00II71

>  <Chemical_Name>
Methyl 5-Bromo-2-methylthiophene-4-carboxylate

>  <CAS_Number>
944709-72-2

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.9865   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4648   -1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IIEZ

>  <Chemical_Name>
ethyl6-bromo-1-benzothiophene-3-carboxylate

>  <CAS_Number>
946427-88-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5889    1.8809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IKB7

>  <Chemical_Name>
3-Thiophenecarbonitrile, 2-amino-4-hydroxy-

>  <CAS_Number>
99580-50-4

$$$$

  -INDIGO-08032105172D

 21 21  0  0  0  0  0  0  0  0999 V2000
  -13.7805    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3188    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9233   -1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3850   -1.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5523   -3.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0139   -4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1812   -5.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6429   -6.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00ILC1

>  <Chemical_Name>
2-(2-hexyldecyl)thiophene

>  <CAS_Number>
1215857-68-3

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.2531   -0.8545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8543    2.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01A87C

>  <Chemical_Name>
3-cyanothiophene-2-carboxylic acid

>  <CAS_Number>
58231-00-8

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DL7U

>  <Chemical_Name>
METHYL 2,5-DIBROMOTHIOPHENE-3-CARBOXYLATE

>  <CAS_Number>
89280-91-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DWJ6

>  <Chemical_Name>
3,4-dichlorothiophene-2-carboxylic acid

>  <CAS_Number>
61209-02-7

$$$$

  -INDIGO-08032105172D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084   -1.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1321    2.8792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9865    0.8197    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6538    2.3847    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -4.1397    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  8 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01EN33

>  <Chemical_Name>
Ethyl 5-bromo-2-(2,2,2-trifluoroacetamido)thiophene-3-carboxylate

>  <CAS_Number>
2044706-51-4

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.3649    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000BDT

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-(4-hydroxyphenyl)-

>  <CAS_Number>
116016-57-0

$$$$

  -INDIGO-08032105172D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2178    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7924    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3575    1.7943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.5575    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000DZC

>  <Chemical_Name>
2-Thiopheneethanamine, 4-bromo-, hydrochloride (1:1)

>  <CAS_Number>
1172469-40-7

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.2754    3.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2163   -0.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2051    2.0979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324    0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0011AK

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-[(methylsulfonyl)amino]-

>  <CAS_Number>
132864-57-4

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
    5.6794   -1.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    0.5794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  5 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0011T5

>  <Chemical_Name>
2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-

>  <CAS_Number>
13636-02-7

$$$$

  -INDIGO-08032105172D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.4753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    3.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778    0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2182    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778    2.6801    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8182    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6182    2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6182    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8182    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <Catalog_Number>
AG001H7T

>  <Chemical_Name>
2-Thiophenemethanamine, 5-nitro-, hydrochloride (1:1)

>  <CAS_Number>
1418117-90-4

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.2301   -4.0505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737    0.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001L42

>  <Chemical_Name>
2-Thiophenepropanoic acid, α-cyano-

>  <CAS_Number>
148674-60-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001YD3

>  <Chemical_Name>
Thiophene, 2-(1,1-dimethylethyl)-

>  <CAS_Number>
1689-78-7

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002FDW

>  <Chemical_Name>
2-Thiophenecarboxaldehyde, 5-phenyl-

>  <CAS_Number>
19163-21-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <Catalog_Number>
AG002JZB

>  <Chemical_Name>
2-Thiophenemethanol, 5-nitro-

>  <CAS_Number>
20898-85-5

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.0218    2.6618    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002M3D

>  <Chemical_Name>
Thiophene, 3-bromo-4-phenyl-

>  <CAS_Number>
23062-41-1

$$$$

  -INDIGO-08032105172D

  8  9  0  0  0  0  0  0  0  0999 V2000
   -2.3650    1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002Q55

>  <Chemical_Name>
Thieno[3,4-b]thiophene

>  <CAS_Number>
250-65-7

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002YK5

>  <Chemical_Name>
Thiophene, 2-bromo-5-phenyl-

>  <CAS_Number>
29488-24-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00303Z

>  <Chemical_Name>
2-Thiopheneethanamine, 5-methyl-

>  <CAS_Number>
30433-92-2

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    1.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG003HMS

>  <Chemical_Name>
5-Methyl-4-nitrothiophene-2-carboxylic acid

>  <CAS_Number>
36050-35-8

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003I77

>  <Chemical_Name>
3-(Bromomethyl)thiophene

>  <CAS_Number>
34846-44-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003IT4

>  <Chemical_Name>
3-Acetyl-2,5-dimethylthiophene

>  <CAS_Number>
2530-10-1

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.0000    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003K5R

>  <Chemical_Name>
4-(AMINOMETHYL)BENZO[B]THIOPHENE

>  <CAS_Number>
864264-04-0

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -6.8182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    4.1569    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    2.7713    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.1569    0.0000 F   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003MB6

>  <Chemical_Name>
5-(3-(Trifluoromethyl)phenyl)thiophene-2-carbaldehyde

>  <CAS_Number>
886508-92-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003MIJ

>  <Chemical_Name>
5-Bromo-3-methylthiophene-2-carbaldehyde

>  <CAS_Number>
38239-46-2

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.8161    3.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405   -0.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405    2.6801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595   -1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5762   -2.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003MWM

>  <Chemical_Name>
5-METHYLTHIOPHENE-2,3-DICARBOXYLIC ACID

>  <CAS_Number>
46029-22-5

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.6653    3.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036    2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3308   -0.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2601    1.3306    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 11  4  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RR8

>  <Chemical_Name>
Methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

>  <CAS_Number>
91076-93-6

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -7.2000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003RVG

>  <Chemical_Name>
Methyl 4-Hydroxy-1-benzothiophene-6-carboxylate

>  <CAS_Number>
314725-14-9

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.0218    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0595    1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126   -2.4835    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RXE

>  <Chemical_Name>
Methyl 5-Bromo-3-methylthiophene-2-carboxylate

>  <CAS_Number>
876938-56-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00AD29

>  <Chemical_Name>
4,5-dimethylthiophene-3-carboxylic acid

>  <CAS_Number>
19156-52-6

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00E8W8

>  <Chemical_Name>
3,4-DIMETHYLTHIOPHENE

>  <CAS_Number>
632-15-5

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.0238   -3.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706   -3.9603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650   -0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9  2  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00IB1G

>  <Chemical_Name>
Benzo[b]thiophene-3-ol, 2,3-dihydro-3-methyl-, 1,1-dioxide

>  <CAS_Number>
62521-48-6

$$$$

  -INDIGO-08032105172D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.3865    4.1105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -0.9405    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8543   -2.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3760   -2.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5651   -1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2324    0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0868   -1.9777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8213    0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1539   -1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9649   -2.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432   -2.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6756   -1.9777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
 11 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 15  4  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IGBC

>  <Chemical_Name>
2,5-Bis(4-fluorophenyl)thiophene-3-carbonitrile

>  <CAS_Number>
908588-07-8

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5541   -2.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    2.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706    2.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  2  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00ITOP

>  <Chemical_Name>
3-hydroxy-2,3-dihydro-1lambda6-benzothiophene-1,1-dione

>  <CAS_Number>
340774-59-6

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01A4QJ

>  <Chemical_Name>
6-bromothieno[3,2-b]thiophene-2-carboxylic acid

>  <CAS_Number>
125493-06-3

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0621   -4.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650   -0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.3856    0.0000 O   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  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  2  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  END
>  <Catalog_Number>
AG01DSNF

>  <Chemical_Name>
5-nitro-2,3-dihydro-1lambda6-benzothiophene-1,1,3-trione

>  <CAS_Number>
343348-19-6

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000XOZ

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-(trifluoromethyl)-

>  <CAS_Number>
128009-32-5

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  3  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0019LI

>  <Chemical_Name>
Benzo[b]thiophene, 7-methoxy-5-methyl-

>  <CAS_Number>
1388033-29-1

$$$$

  -INDIGO-08032105172D

 20 21  0  0  0  0  0  0  0  0999 V2000
  -13.4473    2.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8823    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8117    1.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2467    2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7522    3.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1761    0.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6110    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9602    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690    2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4220    0.1214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -3.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001SN4

>  <Chemical_Name>
2-​Thiopheneacetic acid, 5-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-​, ethyl ester

>  <CAS_Number>
1620318-41-3

$$$$

  -INDIGO-08032105172D

 19 20  0  0  0  0  0  0  0  0999 V2000
  -11.7428    3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2211    3.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0320    2.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3647    1.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5103    3.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3213    2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4886    0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0269    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7563    2.6059    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617    3.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0026GZ

>  <Chemical_Name>
2-​Thiopheneacetic acid, 5-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-​, methyl ester

>  <CAS_Number>
1788894-41-6

$$$$

  -INDIGO-08032105172D

 13 13  0  0  1  0  0  0  0  0999 V2000
    0.0000    3.9550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    2.4933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4835    0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452    1.5529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5364    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9015    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6070    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    4.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8400    1.9239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0400    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002A7S

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-[(1R,2R)-2-aminocyclopropyl]-, hydrochloride (1:1), rel-

>  <CAS_Number>
2055841-95-5

$$$$

  -INDIGO-08032105172D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235   -0.3710    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  8 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0038CH

>  <Chemical_Name>
5-(Boc-aminomethyl)thiophene-2-boronic acid

>  <CAS_Number>
1072951-39-3

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -6.9282    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG005STI

>  <Chemical_Name>
5-(2-HYDROXYETHYL)BENZO[B]THIOPHENE

>  <CAS_Number>
96803-30-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007B84

>  <Chemical_Name>
Methyl 5-chlorothiophene-3-carboxylate

>  <CAS_Number>
36157-43-4

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00CFY6

>  <Chemical_Name>
5-Fluoro-2-thiopheneMethaMine

>  <CAS_Number>
214759-36-1

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00CIS0

>  <Chemical_Name>
2-THIOPHENECARBONITRILE,5-FLUORO-

>  <CAS_Number>
32415-91-1

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00E376

>  <Chemical_Name>
2-AMino-5-broMo-benzo[b]thiophene

>  <CAS_Number>
45894-06-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.0218    2.6618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EAIF

>  <Chemical_Name>
3-Thiophenecarboxylicacid,2-amino-(9CI)

>  <CAS_Number>
56387-08-7

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.4214   -1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998   -1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107   -0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529    2.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00FAMY

>  <Chemical_Name>
ETHYL-2-AMINO-BENZO(B)THIOPHENE-3-CARBOXYLATE

>  <CAS_Number>
7311-95-7

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.9233   -1.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6794   -1.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9739   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  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  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00GKRV

>  <Chemical_Name>
N-Boc-2-amino-3-bromothiophene

>  <CAS_Number>
85069-60-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00IKQC

>  <Chemical_Name>
3-​Thiophenecarboxaldeh​yde, 2-​methoxy-

>  <CAS_Number>
41057-07-2

$$$$

  -INDIGO-08032105172D

  9  8  0  0  0  0  0  0  0  0999 V2000
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    1.4617    3.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2182    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778    2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7722    4.1105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4182    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IKXE

>  <Chemical_Name>
2-Thiophenemethanamine, 3-chloro-, hydrochloride

>  <CAS_Number>
643088-03-3

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01BJRP

>  <Chemical_Name>
3-CHLORO-2-IODOTHIOPHENE

>  <CAS_Number>
1502188-53-5

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01JURW

>  <Chemical_Name>
3-chloro-2,5-diiodo-thiophene

>  <CAS_Number>
2250242-07-8

$$$$

  -INDIGO-08032105172D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4084   -0.0641    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2648   -2.6998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5974   -1.1347    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01JW0P

>  <Chemical_Name>
methyl 2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxylate

>  <CAS_Number>
1084625-20-6

$$$$

  -INDIGO-08032105172D

 21 21  0  0  0  0  0  0  0  0999 V2000
  -22.0488    2.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5871    2.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2927    2.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8310    2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5366    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0749    2.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7805    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3188    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 17  4  0  0  0  0
M  END
>  <Catalog_Number>
AG000IH1

>  <Chemical_Name>
Thiophene, 3-hexadecyl-

>  <CAS_Number>
119269-24-8

$$$$

  -INDIGO-08032105172D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -9.6995    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3138    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9282    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383   -2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3095    4.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603    2.6706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1569   -0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4708   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138   -3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383   -3.9179    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5426    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16  8  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 15  4  0  0  0  0
 18 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 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
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0017MF

>  <Chemical_Name>
Benzo[1,2-b:4,5-b']dithiophene, 2,6-dibromo-4,8-bis[(2-ethylhexyl)oxy]-

>  <CAS_Number>
1226782-13-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001D4F

>  <Chemical_Name>
Thiophene, 2-butyl-

>  <CAS_Number>
1455-20-5

$$$$

  -INDIGO-08032105172D

 19 19  0  0  0  0  0  0  0  0999 V2000
  -16.5366    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0749    2.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7805    1.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3188    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -3.6161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 13  4  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001FKA

>  <Chemical_Name>
Thiophene, 2,5-dibromo-3-dodecyl-

>  <CAS_Number>
148256-63-7

$$$$

  -INDIGO-08032105172D

 15 15  0  0  0  0  0  0  0  0999 V2000
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -3.6161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001LYO

>  <Chemical_Name>
Thiophene, 2,5-dibromo-3-octyl-

>  <CAS_Number>
149703-84-4

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0033R3

>  <Chemical_Name>
3-Methyl-2-thiophenecarboxaldehyde

>  <CAS_Number>
5834-16-2

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003B7A

>  <Chemical_Name>
2-Chloro-5-methylthiophene

>  <CAS_Number>
17249-82-0

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003GPT

>  <Chemical_Name>
2-Bromo-5-hexylthiophene

>  <CAS_Number>
211737-28-9

$$$$

  -INDIGO-08032105172D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.4617   -0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003HYB

>  <Chemical_Name>
Thiophene-2-thiol

>  <CAS_Number>
7774-74-5

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003ILA

>  <Chemical_Name>
3,5-Dibromothiophene-2-carboxylic acid

>  <CAS_Number>
7311-68-4

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JAG

>  <Chemical_Name>
3-Chlorobenzo[b]thiophene-2-carboxylic acid

>  <CAS_Number>
21211-22-3

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003KJR

>  <Chemical_Name>
4,6-Dimethyldibenzothiophene

>  <CAS_Number>
1207-12-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003ML9

>  <Chemical_Name>
5-Bromothiophene-2-sulfonyl chloride

>  <CAS_Number>
55854-46-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.7737    0.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG008C8K

>  <Chemical_Name>
2-(2-Nitrovinyl)thiophene

>  <CAS_Number>
874-84-0

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00EJSA

>  <Chemical_Name>
5-METHOXY-1-BENZOTHIOPHENE-2-CARBALDEHYDE

>  <CAS_Number>
622864-56-6

$$$$

  -INDIGO-08032105172D

 22 23  0  0  0  0  0  0  0  0999 V2000
  -13.4865    1.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0249    2.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7304    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2688    2.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9743    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5127    2.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5893    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    2.8161    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -4.1105    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8161    0.4460    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -8.1416   -0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6033   -0.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 14 15  1  0  0  0  0
 13 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 12  4  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000L0Q

>  <Chemical_Name>
Thieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-3-fluoro-, 2-ethylhexyl ester

>  <CAS_Number>
1237479-38-7

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5812   -2.3488    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG000PNR

>  <Chemical_Name>
Benzo[b]thiophene, 3-(bromomethyl)-5-chloro-

>  <CAS_Number>
1198-51-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
    5.7142   -0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737    0.5017    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4245    1.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3649    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000V8G

>  <Chemical_Name>
Thiophene, 3-[2-(trimethylsilyl)ethynyl]-

>  <CAS_Number>
130995-13-0

$$$$

  -INDIGO-08032105172D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.4617   -0.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001RL9

>  <Chemical_Name>
Thiophene, tetrahydro-, 1-oxide

>  <CAS_Number>
1600-44-8

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002FBP

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-

>  <CAS_Number>
19156-54-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002YCJ

>  <Chemical_Name>
Thiophene, 3,5-dibromo-2-methyl-

>  <CAS_Number>
29421-73-6

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002Z44

>  <Chemical_Name>
2-Thiophenecarboxaldehyde, oxime

>  <CAS_Number>
29683-84-9

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0032OE

>  <Chemical_Name>
Benzo[b]thiophene-3-carbaldehyde

>  <CAS_Number>
5381-20-4

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG0033F1

>  <Chemical_Name>
2-Nitrothiophene

>  <CAS_Number>
609-40-5

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FX2

>  <Chemical_Name>
2,5-Dichloro-3-methylthiophene

>  <CAS_Number>
17249-90-0

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FYP

>  <Chemical_Name>
2,5-Diiodothiophene

>  <CAS_Number>
625-88-7

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1492   -2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003IZZ

>  <Chemical_Name>
3-Bromo-2,4-dimethyl-5-phenylthiophene

>  <CAS_Number>
362513-28-8

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003J9Y

>  <Chemical_Name>
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid

>  <CAS_Number>
34576-92-6

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3566    1.7405    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003MG8

>  <Chemical_Name>
5-BROMO-2,2-BITHIOPHENE-5-CARBOXALDEHYDE

>  <CAS_Number>
110046-60-1

$$$$

  -INDIGO-08032105172D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -7.5957   -2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.6618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003PG0

>  <Chemical_Name>
Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

>  <CAS_Number>
4815-30-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Catalog_Number>
AG006UYF

>  <Chemical_Name>
5-(Methylthio)thiophene-2-carbaldehyde

>  <CAS_Number>
24445-35-0

$$$$

  -INDIGO-08032105172D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -6.3213    2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4886    0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0269    0.0312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7563    2.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4886   -0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6558    0.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1941    1.5600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 14  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00C4EC

>  <Chemical_Name>
2,5-Di(thiophen-2-yl)thieno[3,2-b]thiophene

>  <CAS_Number>
21210-90-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00IBRB

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 5-formyl-, methyl ester

>  <CAS_Number>
67808-66-6

$$$$

  -INDIGO-08032105172D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.9233   -1.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    3.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5812    2.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6794   -1.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9739   -0.0714    0.0000 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  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0004Q3

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-

>  <CAS_Number>
101537-64-8

$$$$

  -INDIGO-08032105172D

 40 47  0  0  0  0  0  0  0  0999 V2000
    1.0266    9.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   10.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5057    9.2290    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7057    7.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8593    8.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3565    6.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9215    6.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888    4.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271    3.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5565    4.9961    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9453   -3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5103   -3.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6776   -1.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159   -1.1018    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0632   -0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5249   -1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5955   -0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7955    0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2305    0.6387    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4463    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0113    2.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1786    4.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7169    5.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6463    3.8186    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3842    6.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4548    7.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6549    9.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0898    8.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9226    7.2235    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 16  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 21  4  0  0  0  0
 24 26  1  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 26  4  0  0  0  0
 29 31  1  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35 31  4  0  0  0  0
 34 36  1  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 40  4  0  0  0  0
 40 36  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0009HB

>  <Chemical_Name>
2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2'''''''-Octithiophene

>  <CAS_Number>
113728-71-5

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.3649    0.6690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000H51

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-(4-fluorophenyl)-

>  <CAS_Number>
115933-30-7

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566   -1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161   -0.4460    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8161    3.0349    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  1  0  0  0  0
  3  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000MI7

>  <Chemical_Name>
Thieno[3,2-b]thiophene, 2,3,5,6-tetrabromo-

>  <CAS_Number>
124638-53-5

$$$$

  -INDIGO-08032105172D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -9.6539    1.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3595    0.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8978    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6034    0.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1417    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473    0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529   -2.3912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202   -3.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3710   -4.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0218   -2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5868   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6574   -3.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2225   -3.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2931   -4.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8581   -4.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9287   -5.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000NXW

>  <Chemical_Name>
2,2'-Bithiophene, 3,3'-dihexyl-

>  <CAS_Number>
125607-30-9

$$$$

  -INDIGO-08032105172D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -6.6670    1.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1453    2.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912    1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0852    2.9295    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3010    4.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8922    4.8911    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 13  4  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Catalog_Number>
AG000VWB

>  <Chemical_Name>
[2,2':5',2''-Terthiophene]-5,5''-dicarboxaldehyde

>  <CAS_Number>
13130-50-2

$$$$

  -INDIGO-08032105172D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -1.1384    3.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7405    3.7566    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0349    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7509    1.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8068    2.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362    3.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3448    3.1515    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2395    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2545    0.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8538   -0.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4383   -1.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4233    0.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8239    1.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.9073    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9561   -0.8709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706   -3.6512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -3.6512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5561   -0.8709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944   -2.9073    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6705    1.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5999    3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 13  4  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  7  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
  5 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0013W7

>  <Chemical_Name>
Benzo[b]thiophene, 3,3'-(3,3,4,4,5,5-hexafluoro-1-cyclopentene-1,2-diyl)bis[2-methyl-

>  <CAS_Number>
137814-07-4

$$$$

  -INDIGO-08032105172D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -6.7260    4.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1348    4.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9865    0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    1.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6972    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0016QZ

>  <Chemical_Name>
Thiophene, 3,4-dihexyl-

>  <CAS_Number>
122107-04-4

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825    0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4240    1.7585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -1.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837    3.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    3.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0019S2

>  <Chemical_Name>
2-Thiophenesulfonamide, 3-acetyl-N-methyl-

>  <CAS_Number>
138891-01-7

$$$$

  -INDIGO-08032105172D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -6.6670    1.7964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1453    2.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912    1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3796    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502    1.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    3.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0852    2.9295    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3010    4.7238    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 13  4  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001VUO

>  <Chemical_Name>
[2,2':5',2''-Terthiophene]-5-carboxaldehyde, 5''-bromo-

>  <CAS_Number>
161726-69-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0023WG

>  <Chemical_Name>
Thiophene, 2-(trimethylsilyl)-

>  <CAS_Number>
18245-28-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00271C

>  <Chemical_Name>
Thiophene, 2,3,5-trimethyl-

>  <CAS_Number>
1795-05-7

$$$$

  -INDIGO-08032105172D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  5  6  4  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
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 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
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 17 12  4  0  0  0  0
 10 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 18  4  0  0  0  0
  9 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 24  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002GVU

>  <Chemical_Name>
Thiophene, 2,3,4,5-tetraphenyl-

>  <CAS_Number>
1884-68-0

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002KX9

>  <Chemical_Name>
Thiophene, 2-bromo-4-hexyl-

>  <CAS_Number>
210705-84-3

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002MYD

>  <Chemical_Name>
Thiophene, 2,2'-(1,3-butadiene-1,4-diyl)bis-

>  <CAS_Number>
23354-93-0

$$$$

  -INDIGO-08032105172D

  8  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
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  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002Q51

>  <Chemical_Name>
Thieno[2,3-b]thiophene

>  <CAS_Number>
250-84-0

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002UNT

>  <Chemical_Name>
3-Thiophenemethanamine

>  <CAS_Number>
27757-86-4

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.5912    0.1672    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002WA4

>  <Chemical_Name>
Thiophene, 2-bromo-5-chloro-

>  <CAS_Number>
2873-18-9

$$$$

  -INDIGO-08032105172D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.4617   -0.6508    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0031PK

>  <Chemical_Name>
Thiophene, 3-fluoro-

>  <CAS_Number>
3093-88-7

$$$$

  -INDIGO-08032105172D

 12 14  0  0  0  0  0  0  0  0999 V2000
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    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  3  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0034HS

>  <Chemical_Name>
Benzo[1,2-b:4,5-b‘]dithiophene

>  <CAS_Number>
267-65-2

$$$$

  -INDIGO-08032105172D

 25 29  0  0  0  0  0  0  0  0999 V2000
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   -7.5103    3.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1453    2.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9781    3.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  4  0  0  0  0
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  3  4  4  0  0  0  0
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  5  1  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 16  4  0  0  0  0
 19 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 21  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003F8Z

>  <Chemical_Name>
2,2':5',2'':5'',2''':5''',2''''-Quinquethiophene

>  <CAS_Number>
5660-45-7

$$$$

  -INDIGO-08032105172D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -4.8485    4.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
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 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 16  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003F90

>  <Chemical_Name>
2,2':5',2'':5'',2'''-Quaterthiophene

>  <CAS_Number>
5632-29-1

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
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  5  6  4  0  0  0  0
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  5  7  1  0  0  0  0
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  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FU6

>  <Chemical_Name>
3,5-Dimethyl-2-phenylthiophene

>  <CAS_Number>
57021-49-5

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4884   -1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  8  4  0  0  0  0
 14 15  4  0  0  0  0
 15  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003G7A

>  <Chemical_Name>
2,8-Dimethyldibenzo[b,d]thiophene

>  <CAS_Number>
1207-15-4

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  9  1  0  0  0  0
  9 10  3  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003GDI

>  <Chemical_Name>
2-Amino-4-chloro-3-cyano-5-formylthiophene

>  <CAS_Number>
104366-23-6

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003J08

>  <Chemical_Name>
3-Bromo-2-chlorothiophene

>  <CAS_Number>
40032-73-3

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -0.5856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  6  7  4  0  0  0  0
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  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JAE

>  <Chemical_Name>
3-Chlorobenzo[b]thiophene-2-carbonyl chloride

>  <CAS_Number>
21815-91-8

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
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   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JIJ

>  <Chemical_Name>
3-Heptylthiophene

>  <CAS_Number>
65016-61-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.3856    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6618   -1.0218    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003JL6

>  <Chemical_Name>
3-Iodo-2,4,5-trimethylthiophene

>  <CAS_Number>
60813-84-5

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
  -12.3188    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JU1

>  <Chemical_Name>
2-Nonylthiophene

>  <CAS_Number>
65016-63-9

$$$$

  -INDIGO-08032105172D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    2.1295   -2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126    2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800    4.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3656    4.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6943    3.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5417    3.9892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7307    2.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0799    1.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4887    1.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7473   -0.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6016    0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6711    4.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1163    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 15  4  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003M8S

>  <Chemical_Name>
5,5'-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2'-bithiophene

>  <CAS_Number>
239075-02-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RLV

>  <Chemical_Name>
Methyl 2,5-dihydrothiophene-3-carboxylate

>  <CAS_Number>
67488-46-4

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    1.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11  5  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RLW

>  <Chemical_Name>
Methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide

>  <CAS_Number>
67488-50-0

$$$$

  -INDIGO-08032105172D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -1.1251    2.9800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5868    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8812    3.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541    0.7380    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1397   -0.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070   -1.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158   -1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8070    1.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003SA5

>  <Chemical_Name>
N-(2-Thiophenesulfonyl)-L-prolinamide

>  <CAS_Number>
1089663-51-3

$$$$

  -INDIGO-08032105172D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -1.3856    2.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1725    1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    2.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    0.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
 13 14  4  0  0  0  0
 14  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG006Q80

>  <Chemical_Name>
Dibenzothiophene, 1-bromo-

>  <CAS_Number>
65642-94-6

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -6.4880    0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8967   -0.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6070    2.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG006QI1

>  <Chemical_Name>
Methyl thieno[3,2-b]thiophene-2-carboxylate

>  <CAS_Number>
98800-10-3

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG007RSJ

>  <Chemical_Name>
5-Chloro-3-methylbenzo[b]thiophene

>  <CAS_Number>
19404-18-3

$$$$

  -INDIGO-08032105172D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008I2W

>  <Chemical_Name>
3,4-Thiophenedicarboxylicacid, 2-amino-, 3-ethyl 4-methyl ester

>  <CAS_Number>
844502-63-2

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG008ULO

>  <Chemical_Name>
3-CYCLOHEXYLTHIOPHENE

>  <CAS_Number>
120659-34-9

$$$$

  -INDIGO-08032105172D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -9.8440    7.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2527    7.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6019    5.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0107    5.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3599    4.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7687    4.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3160    2.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6487    4.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1704    4.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5030    6.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0247    6.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Catalog_Number>
AG009DQV

>  <Chemical_Name>
3,4'-Dihexyl-2,2'-bithiophene

>  <CAS_Number>
135926-93-1

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00BIZC

>  <Chemical_Name>
4-Hexylthiophene-2-carbaldehyde

>  <CAS_Number>
222554-30-5

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5541    2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    1.1710    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DC0K

>  <Chemical_Name>
4,4'-DIBROMO-2,2'-BITHIOPHENE

>  <CAS_Number>
51285-60-0

$$$$

  -INDIGO-08032105172D

 39 47  0  0  0  0  0  0  0  0999 V2000
   -2.5051    3.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3161    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2056    4.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725    1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7650   -3.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0595   -2.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5211   -2.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6884   -4.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3940   -5.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9323   -4.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4706   -5.3460    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8156   -1.8738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3373   -2.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9880   -3.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5793   -3.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5197   -2.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8689   -1.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2777   -1.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3373    0.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8156   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6265    0.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9592    2.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4809    2.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6699    1.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    2.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6346    1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3020   -0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
 12 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 14  4  0  0  0  0
 19 20  4  0  0  0  0
 20 11  4  0  0  0  0
 16 21  1  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 22  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 21  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 28  4  0  0  0  0
  7 34  4  0  0  0  0
 34 35  4  0  0  0  0
 35  4  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 34  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00H2T0

>  <Chemical_Name>
9,9'-(2,8-Dibenzothiophenediyl)bis-9H-carbazole

>  <CAS_Number>
913738-04-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0000PS

>  <Chemical_Name>
2-Thiophenepropanamine, 5-methyl-

>  <CAS_Number>
1000530-84-6

$$$$

  -INDIGO-08032105172D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -1.0530    2.3650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7405   -3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9295   -4.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3151   -3.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9825   -1.7201    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126   -2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236   -3.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380   -2.7541    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  1  4  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  3 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00047D

>  <Chemical_Name>
2,3':4',2''-Terthiophene

>  <CAS_Number>
101306-11-0

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    2.1383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Catalog_Number>
AG0006OB

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-amino-4-cyano-, methyl ester

>  <CAS_Number>
102123-28-4

$$$$

  -INDIGO-08032105172D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    2.1383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214   -3.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  3  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000BSV

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-amino-4-cyano-5-(methylthio)-, ethyl ester

>  <CAS_Number>
116170-90-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000Y82

>  <Chemical_Name>
Thiophene, 2-bromo-5-butyl-

>  <CAS_Number>
128619-83-0

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0013RL

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 5-chloro-

>  <CAS_Number>
13771-75-0

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -7.2621   -3.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4621   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  8  4  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0013RP

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, ethyl ester

>  <CAS_Number>
13771-68-1

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  6  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001BZK

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxaldehyde, 3-chloro-

>  <CAS_Number>
14006-54-3

$$$$

  -INDIGO-08032105172D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892    2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    3.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  4  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001JN6

>  <Chemical_Name>
Thiophene, 2,5-diphenyl-

>  <CAS_Number>
1445-78-9

$$$$

  -INDIGO-08032105172D

 13 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    2.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8809    3.7525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229    2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229    0.7380    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4880    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6552    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935    3.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0408    3.4618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6770    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2408    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9525    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001KQ4

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4,5-diamino-, methyl ester, hydrochloride (1:2)

>  <CAS_Number>
1452518-88-5

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5812   -2.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001TKU

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxaldehyde, 5-chloro-

>  <CAS_Number>
16296-68-7

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420   -3.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1016   -4.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6332   -3.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2840   -4.6435    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267    0.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0973   -0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -2.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15  6  4  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0028UJ

>  <Chemical_Name>
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-5,6-dihydro-, ethyl ester

>  <CAS_Number>
203385-15-3

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.5893    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002AGZ

>  <Chemical_Name>
[2,2'-Bithiophene]-5-carboxylic acid

>  <CAS_Number>
2060-55-1

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.5426    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002DO8

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 3-amino-6-methoxy-, methyl ester

>  <CAS_Number>
189439-55-2

$$$$

  -INDIGO-08032105172D

 19 19  0  0  1  0  0  0  0  0999 V2000
   -1.1272   -2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289   -2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2778   -2.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182   -1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2778    0.2047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8182   -1.0897    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233   -1.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6794   -1.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9739   -0.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002EHR

>  <Chemical_Name>
2-Thiophenepropanoic acid, 5-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-

>  <CAS_Number>
190319-95-0

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.6191    1.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2334    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2334   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002EPK

>  <Chemical_Name>
Benzo[b]thiophene-2-sulfonamide, 5-chloro-3-methyl-

>  <CAS_Number>
190659-59-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002GEY

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 5-amino-, methyl ester

>  <CAS_Number>
192879-33-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002JVF

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-(methylthio)-

>  <CAS_Number>
20873-58-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002LKK

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-chloro-4-methyl-

>  <CAS_Number>
229342-86-3

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002LPV

>  <Chemical_Name>
Benzo[b]thiophene-2-methanol, 5-methyl-

>  <CAS_Number>
22962-49-8

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.5529    2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1397    0.0620    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2178    0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002TPL

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4-bromo-3-methyl-, methyl ester

>  <CAS_Number>
265652-38-8

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002XP9

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-(1,1-dimethylethyl)-

>  <CAS_Number>
29212-25-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.3856    2.3831    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    2.5323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
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  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0038G4

>  <Chemical_Name>
2,5-Dibromo-3,4-dimethylthiophene

>  <CAS_Number>
74707-05-4

$$$$

  -INDIGO-08032105172D

 22 24  0  0  0  0  0  0  0  0999 V2000
  -11.6685    0.1307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0773   -0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4265   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8353   -1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8948   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5456    1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1368    1.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3036   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5036   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9385   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  1  0  0  0  0
 17 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 15  4  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0039AT

>  <Chemical_Name>
2-(5-Bromo-2-methylbenzoyl)-5-(4-fluorophenyl)thiophene

>  <CAS_Number>
1132832-75-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FXW

>  <Chemical_Name>
2,5-Dichlorothiophene-3-sulfonamide

>  <CAS_Number>
53595-68-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.0510    2.6809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <Catalog_Number>
AG003HTA

>  <Chemical_Name>
5-Nitrothiophene-3-carbonitrile

>  <CAS_Number>
42137-23-5

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003KHE

>  <Chemical_Name>
4,5-Dibromothiophene-2-carbaldehyde

>  <CAS_Number>
38071-22-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.6289    2.2420    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003MI2

>  <Chemical_Name>
5-Bromo-3-(bromomethyl)-2-chlorothiophene

>  <CAS_Number>
1185727-35-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Catalog_Number>
AG003MQ3

>  <Chemical_Name>
5-Ethylthiophene-2-carbaldehyde

>  <CAS_Number>
36880-33-8

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.3126    0.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6023   -2.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Catalog_Number>
AG0052GH

>  <Chemical_Name>
tetrahydrothiophene-2-carboxylic acid 1,1-dioxide

>  <CAS_Number>
80548-40-9

$$$$

  -INDIGO-08032105172D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -1.7323   -1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650    0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2706    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  2  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG007KDV

>  <Chemical_Name>
Benzo[b]thiophene,2,3-dihydro-, 1,1-dioxide

>  <CAS_Number>
14315-13-0

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.8545    4.2531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0218    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2601    1.3306    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008FKE

>  <Chemical_Name>
3-Thiophenecarbonitrile, 2-amino-4-(4-chlorophenyl)-

>  <CAS_Number>
86604-36-6

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.0757    3.3105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6161    2.0161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161   -0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460   -2.8161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6322    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9649   -1.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8213    1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
 12 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008TL6

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-

>  <CAS_Number>
1047630-61-4

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
  -10.8117    1.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2467    2.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1761    0.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6705   -0.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6110    1.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9602    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690    2.4864    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4220    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -3.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008XL0

>  <Chemical_Name>
Methyl 4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

>  <CAS_Number>
1040281-86-4

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -7.2621    3.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  8  4  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00948M

>  <Chemical_Name>
Ethyl 6-broMo-1-benzothiophene-2-carboxylate

>  <CAS_Number>
105191-64-8

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405    0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621    0.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405    2.6801    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7566    3.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5893    4.7173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2182    2.4753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  5 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG009C7M

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-[[(5-chloro-2-Methyl-3-pyridinyl)aMino]Methyl]-

>  <CAS_Number>
1404456-63-8

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG009YMK

>  <Chemical_Name>
4-Methyl-thiophene-2-carboxylic acid ethyl ester

>  <CAS_Number>
14282-79-2

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.8000    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00AAZN

>  <Chemical_Name>
2-(2-METHOXYPHENYL)THIOPHENE

>  <CAS_Number>
17595-92-5

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00ABQ9

>  <Chemical_Name>
2-Thiophenemethanol,3-amino-(9CI)

>  <CAS_Number>
170861-45-7

$$$$

  -INDIGO-08032105172D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8948    1.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0948    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00AKEQ

>  <Chemical_Name>
2-(Aminomethyl)-5-methylthiophene hydrochloride

>  <CAS_Number>
171661-55-5

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00BFMD

>  <Chemical_Name>
Methyl 4-hydroxybenzo[b]thiophene-5-carboxylate

>  <CAS_Number>
246177-37-7

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.9431   -1.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BKRL

>  <Chemical_Name>
2-AMINO-6-CHLOROBENZO[B]THIOPHENE-3-CARBONITRILE

>  <CAS_Number>
221061-10-5

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -6.6546   -2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BND4

>  <Chemical_Name>
5-bromo-2-n-pentylthiophene

>  <CAS_Number>
301199-32-6

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6000   -2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9405   -2.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621   -2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9405   -0.0912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  3  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 14  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00C00B

>  <Chemical_Name>
4-FORMYL-2-METHOXYPHENYL THIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
361472-61-9

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084   -1.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00C242

>  <Chemical_Name>
2-(Acetylamino)-3-thiophenecarboxylicacidmethylester

>  <CAS_Number>
22288-81-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.3856    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    2.5323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00CMLM

>  <Chemical_Name>
2,4-DIBROMO-3,5-DIMETHYLTHIOPHENE

>  <CAS_Number>
39129-54-9

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5541    2.1236    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    1.0218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    1.1710    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00CMZL

>  <Chemical_Name>
5,5'-Diiodo-2,2'-bithiophene

>  <CAS_Number>
3339-80-8

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D651

>  <Chemical_Name>
3,4-Thiophenedicarboxylic acid, diMethyl ester

>  <CAS_Number>
4282-35-3

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.4450   -1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2778   -0.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5762    2.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D87P

>  <Chemical_Name>
3-(Acetylamino)thiophene-2-carboxylic acid

>  <CAS_Number>
50901-18-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5889    1.8809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D8FL

>  <Chemical_Name>
2-amino-3-cyano-5-methylthiophene

>  <CAS_Number>
4623-55-6

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DAEW

>  <Chemical_Name>
2-AMINO-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER

>  <CAS_Number>
4815-32-1

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
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   -3.9179   -1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00DBCV

>  <Chemical_Name>
7-chlorobenzo[b]thiophene-2-carbaldehyde

>  <CAS_Number>
477735-67-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DCWM

>  <Chemical_Name>
3-Thiophenecarboxylicacid,5-methyl-,hydrazide(9CI)

>  <CAS_Number>
524731-02-0

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    2.1383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  3  0  0  0  0
  7 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EA57

>  <Chemical_Name>
2-AMINO-3-CYANO-4-METHYL-5-CARBMETHOXY THIOPHENE

>  <CAS_Number>
61320-65-8

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00ECLN

>  <Chemical_Name>
N''-HYDROXYTHIOPHENE-3-CARBOXIMIDAMIDE

>  <CAS_Number>
58905-71-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EIYP

>  <Chemical_Name>
2-Thiophenemethanol, 3-methyl-

>  <CAS_Number>
63826-56-2

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    2.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00FH72

>  <Chemical_Name>
Ethyl 4-forMylthiophene-3-carboxylate

>  <CAS_Number>
67808-74-6

$$$$

  -INDIGO-08032105172D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -8.8966   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3054   -0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3649    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    3.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00FHW5

>  <Chemical_Name>
Methyl 3-amino-5-(4-ethoxyphenyl)-2-thiophenecarboxylate

>  <CAS_Number>
691393-97-2

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -4.1055    4.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7563    2.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3213    2.2732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4886    0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0269    0.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617    3.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00GT6P

>  <Chemical_Name>
2-Methylthiophene-3-boronic acid pinacol ester

>  <CAS_Number>
910553-12-7

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.6800    1.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5528    3.9743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    2.5323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126    2.4835    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00H2MG

>  <Chemical_Name>
6-bromo-3-methylthieno[3,2-b]thiophene-2-carboxylic acid

>  <CAS_Number>
926011-53-2

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.2000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5893    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00H8IV

>  <Chemical_Name>
5-(4-Isopropylphenyl)thiophene-2-carboxylic acid

>  <CAS_Number>
943115-91-1

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809   -2.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00HAEG

>  <Chemical_Name>
3-Thiopheneacetic acid, a-oxo-, methyl ester

>  <CAS_Number>
104749-67-9

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.5122   -0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505   -1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272   -2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HHTH

>  <Chemical_Name>
Ethyl 3-Hydroxytetrahydrothiophene-3-Carboxylate

>  <CAS_Number>
1248642-62-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.2778   -0.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    1.5217    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HII8

>  <Chemical_Name>
3-Chloro-4-Methyl-Thiophene-2-Carbaldehyde

>  <CAS_Number>
1258283-00-9

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.8812    3.2696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5868    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541    0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1397   -0.0620    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070   -1.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158   -1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4158   -3.1800    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 11  4  0  0  0  0
  6 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HII9

>  <Chemical_Name>
4-Methyl-3-(Pyridine-2-Sulfonyl)-Thiophene-2-Carbaldehyde

>  <CAS_Number>
1258283-07-6

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HSNJ

>  <Chemical_Name>
2,3-Thiophenedimethanol

>  <CAS_Number>
13250-85-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.9233   -1.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HUOK

>  <Chemical_Name>
2-Thiopheneacetic acid, 5-chloro-

>  <CAS_Number>
13669-19-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HVT6

>  <Chemical_Name>
3-Bromo-2-(difluoromethyl)thiophene

>  <CAS_Number>
1403667-53-7

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
 14 16  1  0  0  0  0
M  STY  1   1 DAT
M  SLB  1   1   1
M  SAL   1  1  13
M  SDT   1 MRV_IMPLICIT_H                                                       
M  SDD   1     0.0000    0.0000    DA    ALL  1       1  
M  SED   1 IMPL_H1
M  END
>  <Catalog_Number>
AG00HXJH

>  <Chemical_Name>
5-bromo-N-(2-methylpyridin-4-yl)thiophene-2-carboxamide

>  <CAS_Number>
1468774-80-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00HXL5

>  <Chemical_Name>
2-Thiophenepropanoic acid, 5-methyl-

>  <CAS_Number>
14779-24-9

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00I3LB

>  <Chemical_Name>
Benzo[b]thiophene-5-carboxylic acid, 4-hydroxy-

>  <CAS_Number>
197014-73-6

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8809   -2.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00I531

>  <Chemical_Name>
2-Thiopheneacetic acid, a-oxo-, methyl ester

>  <CAS_Number>
26878-13-7

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.8928   -3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    2.2158    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473    0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0363   -0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856   -2.3831    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943   -2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  5 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 11  4  0  0  0  0
  5 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I5D6

>  <Chemical_Name>
2-Thiopheneacetic acid, a-hydroxy-a-3-thienyl-, methyl ester

>  <CAS_Number>
28748-67-6

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -7.3054   -0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3649    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I71J

>  <Chemical_Name>
2-Thiophenecarboxamide, 3-amino-5-(4-methoxyphenyl)-

>  <CAS_Number>
354812-16-1

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.2944   -0.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00I931

>  <Chemical_Name>
Thiophene, 1,1,2,3,4,5-hexahydro-1-imino-, 1-oxide

>  <CAS_Number>
50578-18-2

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.3856    2.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512   -1.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512    0.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IADT

>  <Chemical_Name>
4-Bromo-1,3-Dihydro-Benzo[C]Thiophene 2,2-Dioxide

>  <CAS_Number>
58401-27-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.0218    2.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0595    1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126   -2.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IAO5

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-amino-3-methyl-, methyl ester

>  <CAS_Number>
602310-67-8

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.9865   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4648   -1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IITV

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxylic acid,2-amino-4,5,6,7-tetrahydro-4-methyl-, ethyl ester

>  <CAS_Number>
95211-67-9

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -5.3036   -0.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179   -1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00IWLS

>  <Chemical_Name>
4-bromo-1-benzothiophene-2-carbaldehyde

>  <CAS_Number>
19075-43-5

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG019EMK

>  <Chemical_Name>
methyl 4-oxo-6,7-dihydro-5H-1-benzothiophene-5-carboxylate

>  <CAS_Number>
112101-60-7

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179   -2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  8 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  5  4  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG019EXC

>  <Chemical_Name>
2-amino-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

>  <CAS_Number>
70733-09-4

$$$$

  -INDIGO-08032105172D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267    0.3181    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0973   -0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -2.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6886   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393    0.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6290   -1.9981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG019F1K

>  <Chemical_Name>
thieno[3,2-b]thieno[2,2-d]thiophenedicarboxylicacid

>  <CAS_Number>
502764-53-6

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.4460    2.8161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944    1.5217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1105   -0.4944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    0.4460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    2.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432   -2.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG019F2Q

>  <Chemical_Name>
5-chloro-4-(1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid

>  <CAS_Number>
1047630-55-6

$$$$

  -INDIGO-08032105172D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084   -1.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9865    0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3191   -0.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8408   -1.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0299   -0.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6972    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    1.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 14  4  0  0  0  0
M  END
>  <Catalog_Number>
AG019L0H

>  <Chemical_Name>
methyl 3-[(phenoxycarbonyl)amino]thiophene-2-carboxylate

>  <CAS_Number>
31823-75-3

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.2420    1.6289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    0.3345    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01AFM8

>  <Chemical_Name>
4-bromo-2-(trifluoromethyl)thiophene

>  <CAS_Number>
1194374-08-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01B17R

>  <Chemical_Name>
methyl 3-iodo-4-methylthiophene-2-carboxylate

>  <CAS_Number>
845878-92-4

$$$$

  -INDIGO-08032105172D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4084   -0.0641    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2648   -2.6998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5974   -1.1347    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DEKN

>  <Chemical_Name>
Ethyl2-Amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxylate

>  <CAS_Number>
1160720-50-2

$$$$

  -INDIGO-08032105172D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -8.2542   -1.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8686   -0.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4830   -1.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4830   -3.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0973   -0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9301    0.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564   -2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0434    0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5651    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214   -1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998   -1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671   -3.2118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 16  4  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DFH9

>  <Chemical_Name>
methyl 2-amino-3-(2-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-5-carboxylate

>  <CAS_Number>
114777-66-1

$$$$

  -INDIGO-08032105172D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.7237   -3.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7379   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1236   -3.5541    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3126   -2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    1.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3690    2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7182    3.9481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1270    3.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0564    4.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9340    2.1538    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    6.4285    0.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0047    3.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777   -2.8161    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.9483   -1.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3721   -4.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DFMZ

>  <Chemical_Name>
(4,4'-(cyclopent-1-ene-1,2-diyl)bis(5-methylthiophene-4,2-diyl))diboronic acid

>  <CAS_Number>
608528-48-9

$$$$

  -INDIGO-08032105172D

 29 31  0  0  0  0  0  0  0  0999 V2000
  -10.5267    4.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0650    3.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7706    4.3354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3089    3.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0145    4.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5528    3.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856    2.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6800    1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1417    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5383    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.7943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    3.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6396    4.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2753    3.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7697    5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991    6.3594    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3347    5.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4053    4.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9109    2.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3459    2.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8515    0.9380    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  1  0  0  0  0
 23 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 28  4  0  0  0  0
 28 22  4  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DGCT

>  <Chemical_Name>
Methyl 3-(2,6-Difluorobenzamido)-5-(4-Ethoxyphenyl)Thiophene-2-Carboxylate

>  <CAS_Number>
890817-95-5

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    2.1856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2586    3.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1129    0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0534    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1129    2.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6534    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8534    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0534    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0534    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DHD3

>  <Chemical_Name>
3-(Piperazin-1-Yl)Tetrahydrothiophene 1,1-Dioxide Hydrochloride

>  <CAS_Number>
1644381-18-9

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9455    3.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5812    2.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3473    0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966   -1.0047    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DIQD

>  <Chemical_Name>
3-(cyclopropanecarbonyl)thiophene-2-carboxylic acid

>  <CAS_Number>
1934762-42-1

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DIRY

>  <Chemical_Name>
Methyl 4-(2-Bromoacetyl)-3-Fluorothiophene-2-Carboxylate

>  <CAS_Number>
1821027-57-9

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DJ4B

>  <Chemical_Name>
methyl 4-acetyl-3-fluorothiophene-2-carboxylate

>  <CAS_Number>
1821027-56-8

$$$$

  -INDIGO-08032105172D

 20 21  0  0  1  0  0  0  0  0999 V2000
   -8.1127    2.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1893    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1856    2.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5856    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5856    3.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1856    3.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9856    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9856    4.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7856    3.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DJC5

>  <Chemical_Name>
methyl 5-((1R,2R)-2-((tert-butoxycarbonyl)amino)cyclopropyl)thiophene-3-carboxylate

>  <CAS_Number>
1818257-77-0

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DKHJ

>  <Chemical_Name>
3-bromo-2-(tert-butyl)-5-methylthiophene

>  <CAS_Number>
36880-45-2

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -8.1127    2.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1893    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DLYG

>  <Chemical_Name>
METHYL 4-(1-METHYL-1H-PYRAZOL-5-YL)THIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
1047629-03-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01DM7Z

>  <Chemical_Name>
3-BROMO-5-(TERT-BUTYL)-2-METHYLTHIOPHENE

>  <CAS_Number>
83174-17-8

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG01EXWI

>  <Chemical_Name>
6-Bromo-3-hydroxy-benzo[b]thiophene-2-carboxylic acid methyl ester

>  <CAS_Number>
863904-21-6

$$$$

  -INDIGO-08032105172D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0851    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2524    3.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8174    2.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6174    4.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5468    5.4508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.8174    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 16  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0006OJ

>  <Chemical_Name>
2-Thiopheneethanamine, N-(1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl)-, hydrochloride (1:1)

>  <CAS_Number>
102120-96-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.8070    1.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002CFT

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-formyl-

>  <CAS_Number>
19991-69-6

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.5426    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1569    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0031Y9

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methoxy-

>  <CAS_Number>
310390-60-4

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003A4M

>  <Chemical_Name>
Methyl 3-amino-5-bromobenzo[b]thiophene-2-carboxylate

>  <CAS_Number>
1036380-75-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003GAX

>  <Chemical_Name>
2-Acetyl-3-chlorothiophene

>  <CAS_Number>
89581-82-8

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003RT2

>  <Chemical_Name>
METHYL 3-METHYLBENZO[B]THIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
3133-81-1

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003RYU

>  <Chemical_Name>
Methyl 7-chlorobenzo[b]thiophene-2-carboxylate

>  <CAS_Number>
550998-56-6

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    1.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG0040QZ

>  <Chemical_Name>
5-Bromo-4-nitrothiophene-2-carboxylic acid

>  <CAS_Number>
89283-24-9

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  2  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005B11

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 4-bromo-6-fluoro-

>  <CAS_Number>
826995-60-2

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005FXC

>  <Chemical_Name>
5-Bromobenzo[b]thiophene-2-carbaldehyde

>  <CAS_Number>
7312-18-7

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.7565   -3.0611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5892   -1.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4220    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6110    1.1920    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9602    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3690    2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709   -1.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834   -3.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0065YH

>  <Chemical_Name>
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbonitrile

>  <CAS_Number>
942070-34-0

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473    0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639    3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.6618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 14 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008TL5

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 5-chloro-4-(1-methyl-1H-pyrazol-5-yl)-, methyl ester

>  <CAS_Number>
1047630-52-3

$$$$

  -INDIGO-08032105172D

 24 25  0  0  1  0  0  0  0  0999 V2000
    1.9239    8.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239    6.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    6.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239    5.3036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7239    5.3036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5239    3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1239    3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9239    5.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1239    6.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5239    6.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9239    8.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5239    8.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3239    6.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5239    5.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3239    3.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9239    3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239    3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239    2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    2.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1239    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  8  4  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 19  4  0  0  0  0
M  END
>  <Catalog_Number>
AG009C7N

>  <Chemical_Name>
N-Propyl-N-[(2S)-1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl]-2-thiopheneethanamine hydrochloride

>  <CAS_Number>
1232344-37-4

$$$$

  -INDIGO-08032105172D

 30 33  0  0  1  0  0  0  0  0999 V2000
   -6.3454   -3.6214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5127   -2.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9743   -1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3070    0.1857    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8982    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5490   -1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3600   -2.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1141   -1.4414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.6982    1.7386    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182   -1.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566   -1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    2.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    2.7713    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 18  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00ABG2

>  <Chemical_Name>
(S)-4,5-dichloro-N-((2-oxo-3-(4-(3-oxoMorpholino)phenyl)oxazolidin-5-yl)Methyl)thiophene-2-carboxaMide

>  <CAS_Number>
1770812-37-7

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -3.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812   -3.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00BI4W

>  <Chemical_Name>
2-Bromo-3-hexyl-5-formylthiophene

>  <CAS_Number>
291535-21-2

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.4460    2.8161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944    1.5217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0434   -0.9889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00DCWU

>  <Chemical_Name>
2-Bromothiophene-3-carbonitrile

>  <CAS_Number>
56182-43-5

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -7.2621    3.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00DM2G

>  <Chemical_Name>
ethyl 3-hydroxybenzo[b]thiophene-2-carboxylate

>  <CAS_Number>
5556-20-7

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    3.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  1  0  0  0  0
 10 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <Catalog_Number>
AG00G3NS

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, 4-broMo-6-cyano-, Methyl ester

>  <CAS_Number>
753455-45-7

$$$$

  -INDIGO-08032105172D

 40 42  0  0  1  0  0  0  0  0999 V2000
    2.6809   -4.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317   -3.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -3.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8634   -4.6435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5737   -1.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1387   -1.5547    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3060    0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8443    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737   -0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825   -0.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    1.1272    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016    2.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3016   -2.9233    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897   -2.7561    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721    2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6916    0.8365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0773    0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0773   -1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4629   -2.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4629   -3.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486   -4.7635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486   -6.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4629   -7.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2342   -7.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6198   -6.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2342   -8.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6198   -7.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486   -1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486    0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4629    0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4629    2.4365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0773    3.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486    3.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 11 22  1  1  0  0  0
  7 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 26 35  4  0  0  0  0
 35 36  4  0  0  0  0
 36 37  4  0  0  0  0
 37 24  4  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  CHG  2  38   1  40  -1
M  END
>  <Catalog_Number>
AG00GTWJ

>  <Chemical_Name>
(R)-Methyl 5-(2-nitro-5-(pivaloyloxyMethyl)phenylaMino)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate

>  <CAS_Number>
929095-36-3

$$$$

  -INDIGO-08032105172D

 39 43  0  0  1  0  0  0  0  0999 V2000
   -1.9597   -7.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271   -5.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161   -4.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3378   -5.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4835   -3.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0218   -2.6618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1453   -2.2908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0858   -0.9964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6770   -1.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6174    0.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2087   -0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8595   -1.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3278   -2.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3873   -3.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9786   -4.0870    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4469   -5.2142    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0381   -5.3814    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4350    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.2420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -3.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3650   -3.1039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 23  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  4  0  0  0  0
 30 31  4  0  0  0  0
 31 26  4  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00GTWK

>  <Chemical_Name>
(R)-Methyl 5-(6-((4-Methylpiperazin-1-yl)Methyl)-1H-benzo[d]iMidazol-1-yl)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate

>  <CAS_Number>
929095-51-2

$$$$

  -INDIGO-08032105172D

 33 36  0  0  1  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  8  9  4  0  0  0  0
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 17 12  4  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 11 22  1  1  0  0  0
  7 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 23  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 26  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00GTWL

>  <Chemical_Name>
(R)-Methyl 5-(6-(chloroMethyl)-1H-benzo[d]iMidazol-1-yl)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate

>  <CAS_Number>
929095-40-9

$$$$

  -INDIGO-08032105172D

 33 36  0  0  1  0  0  0  0  0999 V2000
   -1.9597   -7.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271   -5.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161   -4.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3378   -5.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4835   -3.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0218   -2.6618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
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  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
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 18 21  1  0  0  0  0
 11 22  1  1  0  0  0
  7 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 23  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  4  0  0  0  0
 32 33  4  0  0  0  0
 33 26  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00GTWM

>  <Chemical_Name>
(R)-Methyl 5-(6-(hydroxyMethyl)-1H-benzo[d]iMidazol-1-yl)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate

>  <CAS_Number>
929095-39-6

$$$$

  -INDIGO-08032105172D

 39 42  0  0  1  0  0  0  0  0999 V2000
   -1.9597   -7.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 11 22  1  1  0  0  0
  7 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 23  4  0  0  0  0
 27 28  4  0  0  0  0
 28 29  4  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 29 38  4  0  0  0  0
 38 39  4  0  0  0  0
 39 26  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00GTWN

>  <Chemical_Name>
(R)-Methyl 5-(6-(pivaloyloxyMethyl)-1H-benzo[d]iMidazol-1-yl)-3-(1-(2-(trifluoroMethyl)phenyl)ethoxy)thiophene-2-carboxylate

>  <CAS_Number>
929095-38-5

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  2  11   1  13  -1
M  END
>  <Catalog_Number>
AG00GU49

>  <Chemical_Name>
2-Thiophenecarboxylicacid,3-hydroxy-4-nitro-,methylester(7CI,9CI)

>  <CAS_Number>
89380-76-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.0218    2.6618    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00GZNE

>  <Chemical_Name>
3-BROMO-2-TRIFLUOROMETHYLTHIOPHENE

>  <CAS_Number>
924818-17-7

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IAU0

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-bromo-5-methyl-

>  <CAS_Number>
61285-29-8

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.9865   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4648   -1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00IJSU

>  <Chemical_Name>
Benzo[b]thiophene-3-carboxylic acid,2-amino-4,5,6,7-tetrahydro-7-oxo-, ethyl ester

>  <CAS_Number>
96334-44-0

$$$$

  -INDIGO-08032105172D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    3.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7561    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2182    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778    2.8944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8182    1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8182    3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8182    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4182    1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6182    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00ILYD

>  <Chemical_Name>
5-(aminomethyl)thiophene-2-sulfonamide hydrochloride

>  <CAS_Number>
21151-36-0

$$$$

  -INDIGO-08032105172D

 21 22  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5426    4.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1569    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3138    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0851    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2524    3.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8174    2.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6174    4.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5468    5.4508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.8174    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 16  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00IM27

>  <Chemical_Name>
2-Thiopheneethanamine, N-[(2S)-1,2,3,4-tetrahydro-5-methoxy-2-naphthalenyl]-, hydrochloride

>  <CAS_Number>
1232344-35-2

$$$$

  -INDIGO-08032105172D

 30 33  0  0  1  0  0  0  0  0999 V2000
   -6.3454   -3.6214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5127   -2.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9743   -1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3070    0.1857    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8982    0.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5490   -1.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3600   -2.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1141   -1.4414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.6982    1.7386    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182   -1.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566   -1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    2.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000    2.7713    0.0000 O   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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 18  4  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Catalog_Number>
AG01D8ZK

>  <Chemical_Name>
(R)-4,5-dichloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide

>  <CAS_Number>
1770812-38-8

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7837    3.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9270    3.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001KKE

>  <Chemical_Name>
2,3-Thiophenedicarboxylic acid

>  <CAS_Number>
1451-95-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.2778   -0.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8161    0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    1.5217    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 Br  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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003IFS

>  <Chemical_Name>
3,4-Dibromothiophene-2-carboxaldehyde

>  <CAS_Number>
32896-02-9

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.2178    0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG004J17

>  <Chemical_Name>
Methyl 4-chlorothiophene-2-carboxylate

>  <CAS_Number>
88105-19-5

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005WQT

>  <Chemical_Name>
5-Bromothiophene-2-carbohydrazide

>  <CAS_Number>
98027-27-1

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00725E

>  <Chemical_Name>
Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate

>  <CAS_Number>
4651-93-8

$$$$

  -INDIGO-08032105172D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.3649    0.6690    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7737    0.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2420    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8332    1.7962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6892    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6892    2.9383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  5  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  1  0  0  0  0
 16 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 14  4  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0082CC

>  <Chemical_Name>
2-(2-Chloro-5-iodine benzyl)-5-(3-(6-fluoro-pyridyl)) thiophene

>  <CAS_Number>
1131770-46-1

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.6653    3.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036    2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3308   -0.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BHL9

>  <Chemical_Name>
methyl 2-amino-5-tert-butylthiophene-3-carboxylate

>  <CAS_Number>
216574-71-9

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.5893    3.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00C20D

>  <Chemical_Name>
4-PHENYLTHIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
21676-88-0

$$$$

  -INDIGO-08032105172D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.2897    3.0146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.5529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8967    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4496    2.7239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6496    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  2   1  -1  10   1
M  END
>  <Catalog_Number>
AG01A3UX

>  <Chemical_Name>
sodium 5-chlorothiophene-2-sulfinate

>  <CAS_Number>
500708-75-8

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
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   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  2  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000UAC

>  <Chemical_Name>
Thiophene-3-ol, tetrahydro-, 1,1-dioxide

>  <CAS_Number>
13031-76-0

$$$$

  -INDIGO-08032105172D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -6.8370   -5.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4514   -4.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  7  4  0  0  0  0
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 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 12  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 17  4  0  0  0  0
 20 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 22  4  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00117L

>  <Chemical_Name>
2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-dihexyl-

>  <CAS_Number>
132814-91-6

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -3.6161    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001RNK

>  <Chemical_Name>
Thiophene, 2-bromo-3-hexyl-5-iodo-

>  <CAS_Number>
160096-76-4

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.8809   -2.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  4 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002L8D

>  <Chemical_Name>
2-Thiopheneacetic acid, α-amino-

>  <CAS_Number>
21124-40-3

$$$$

  -INDIGO-08032105172D

 32 35  0  0  0  0  0  0  0  0999 V2000
  -16.3186    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9329    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5473    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1616    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7760    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3904    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0047    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6191    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2334    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2334   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9073    0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9073   -2.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6786   -2.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0643   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4499   -2.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8355   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212   -2.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6068   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9925   -2.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3781   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
 13 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 16  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 24  4  0  0  0  0
 24 19  4  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0039A5

>  <Chemical_Name>
2,7-Dioctyl[1]benzothieno[3,2-b][1]benzothiophene

>  <CAS_Number>
583050-70-8

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
  -11.0244    1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5627    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683    0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003GQD

>  <Chemical_Name>
2-BroMo-5-n-octylthiophene

>  <CAS_Number>
172514-63-5

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JQO

>  <Chemical_Name>
3-Methylbenzo[b]thiophene-2-carboxylic acid

>  <CAS_Number>
3133-78-6

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JUC

>  <Chemical_Name>
3-N-PROPYLTHIOPHENE

>  <CAS_Number>
1518-75-8

$$$$

  -INDIGO-08032105172D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.1599    3.0146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    1.5529    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4496    0.2585    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1004    1.7201    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3004    0.0000    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  CHG  2   2  -1  11   1
M  END
>  <Catalog_Number>
AG004KPV

>  <Chemical_Name>
Potassium 5-methyl-2-thiophenetrifluoroborate

>  <CAS_Number>
871231-40-2

$$$$

  -INDIGO-08032105172D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.9092    3.4531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036    2.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6653    3.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8777   -2.1508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8182   -4.0051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2601    1.3306    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 13  4  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG006W54

>  <Chemical_Name>
5-(4-Fluorophenyl)-2-ureidothiophene-3-carboxamide

>  <CAS_Number>
507475-17-4

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG008R8Q

>  <Chemical_Name>
Poly(3-hexylthiophene-2,5-diyl)

>  <CAS_Number>
104934-50-1

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.3162    3.6023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 11  1  0  0  0  0
M  CHG  2   8   1  10  -1
M  END
>  <Catalog_Number>
AG0091SL

>  <Chemical_Name>
5-bromo-2-nitrothiophene-3-carbaldehyde

>  <CAS_Number>
1093878-18-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
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  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0094LY

>  <Chemical_Name>
Methyl 5-(bromomethyl)-2-thiophenecarboxylate

>  <CAS_Number>
108499-32-7

$$$$

  -INDIGO-08032105172D

 22 23  0  0  0  0  0  0  0  0999 V2000
  -10.4972    2.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0517    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4374    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
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  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
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 16 12  4  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Catalog_Number>
AG009WPR

>  <Chemical_Name>
4,4'-Dihexyl-2,2'-bithiophene

>  <CAS_Number>
135926-94-2

$$$$

  -INDIGO-08032105172D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -6.0491    3.5905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4578    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0434   -0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5651   -1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214    1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998    1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671    3.2118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6271   -3.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1488   -4.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 13  4  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00DETL

>  <Chemical_Name>
2-(Aminoacetylamino)-3-(o-chlorobenzoyl)-5-ethylthiophene

>  <CAS_Number>
50509-09-6

$$$$

  -INDIGO-08032105172D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.5234    4.4321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8560    2.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6670    1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1453    2.2908    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235   -0.3710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618   -1.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912    1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3036    0.5383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3777    2.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667    3.4432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2775    4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101    2.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00F9UQ

>  <Chemical_Name>
2-Thiophenecarboxamide,5-[2-[[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]thio]-4-thiazolyl]-

>  <CAS_Number>
68377-92-4

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    2.9383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    0.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG00378K

>  <Chemical_Name>
5-Nitrothiophene-3-carboxylic acid

>  <CAS_Number>
40357-96-8

$$$$

  -INDIGO-08032105172D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4884    1.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG008Q9N

>  <Chemical_Name>
4-Methyldibenzo[b,d]thiophene

>  <CAS_Number>
7372-88-5

$$$$

  -INDIGO-08032105172D

 23 27  0  0  0  0  0  0  0  0999 V2000
   -5.1211    1.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2884   -0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9940   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6595    1.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618    1.0218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6764    2.7622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2414    3.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0414    1.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9708    0.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6414    1.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4414    3.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6414    4.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0414    4.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 10  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 15  4  0  0  0  0
 18 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 17  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00IKI5

>  <Chemical_Name>
Benzoxazole, 2,2'-(2,5-thiophenediyl)bis-

>  <CAS_Number>
2866-43-5

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4617    0.6508    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FHW

>  <Chemical_Name>
2,3-Dichlorothiophene

>  <CAS_Number>
17249-79-5

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -7.3054   -0.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6546   -2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5951   -3.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002LQL

>  <Chemical_Name>
2-Thiophenepentanoic acid, δ-oxo-

>  <CAS_Number>
22971-62-6

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.0621   -0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00DKEU

>  <Chemical_Name>
2-Aminobenzo[b]thiophene

>  <CAS_Number>
4521-30-6

$$$$

  -INDIGO-08032105172D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -6.5157    8.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0540    8.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8868    6.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4251    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2578    4.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7962    3.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189    3.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1784    5.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7434    5.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2379    7.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1889    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6944   -1.5217    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7889   -2.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -3.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3056   -3.9838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 18  4  0  0  0  0
 22 23  1  0  0  0  0
 23 24  4  0  0  0  0
 24  9  1  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 23  4  0  0  0  0
M  END
>  <Catalog_Number>
AG000BDO

>  <Chemical_Name>
4H-Silolo[3,2-b:4,5-b']dithiophene, 4,4-dioctyl-

>  <CAS_Number>
1160106-12-6

$$$$

  -INDIGO-08032105172D

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.9523    4.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3611    4.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    2.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -1.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    1.0218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5092    1.1710    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -5.5092    2.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    3.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235    5.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5092    5.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8948    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8948   -1.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2804   -2.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2804   -3.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8948    1.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2804    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6661    1.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0517    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -2.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2301   -4.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794   -5.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001D2K

>  <Chemical_Name>
Stannane, 1,1'-(2,5-thiophenediyl)bis[1,1,1-tributyl-

>  <CAS_Number>
145483-63-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IA5T

>  <Chemical_Name>
3-Thiophenesulfonyl chloride, 2,5-dichloro-

>  <CAS_Number>
56946-83-9

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001EMU

>  <Chemical_Name>
2-Thiophenecarboxamide, 3-chloro-

>  <CAS_Number>
147123-68-0

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1190   -3.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5166   -4.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001N7B

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 5-methyl-2-(1H-pyrrol-1-yl)-

>  <CAS_Number>
151258-67-2

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.6191    1.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2334    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2334   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001X2R

>  <Chemical_Name>
Benzo[b]thiophene-2-sulfonyl chloride, 5-chloro-3-methyl-

>  <CAS_Number>
166964-33-6

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -6.4621   -2.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002067

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxylic acid, hydrazide

>  <CAS_Number>
175135-07-6

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002FBO

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-amino-5-ethyl-, methyl ester

>  <CAS_Number>
19156-63-9

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2036    2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3308   -0.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG002OWZ

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4-nitro-, methyl ester

>  <CAS_Number>
24647-78-7

$$$$

  -INDIGO-08032105172D

 12 14  0  0  0  0  0  0  0  0999 V2000
   -3.9650    1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6835    2.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  1  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG002RY4

>  <Chemical_Name>
Benzo[b]thiophene, 3-(2-oxiranyl)-

>  <CAS_Number>
26168-40-1

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1321    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3212    3.9498    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0030U0

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-amino-4-(4-bromophenyl)-, ethyl ester

>  <CAS_Number>
306934-99-6

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5812   -2.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0030U6

>  <Chemical_Name>
Benzo[b]thiophene-3-methanol, 5-chloro-

>  <CAS_Number>
306934-93-0

$$$$

  -INDIGO-08032105172D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.2544    5.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9599    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473   -0.1492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530   -2.3650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247   -1.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3897   -1.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8841   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135    1.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    0.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    0.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5198   -0.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0848   -0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792    0.9253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9436    1.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 22  4  0  0  0  0
 22 23  4  0  0  0  0
 23 18  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00313J

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-amino-4-[1,1'-biphenyl]-4-yl-, ethyl ester

>  <CAS_Number>
307343-50-6

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0032VP

>  <Chemical_Name>
2-(Methylthio)thiophene

>  <CAS_Number>
5780-36-9

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FF7

>  <Chemical_Name>
2,3,5-Trichlorothiophene

>  <CAS_Number>
17249-77-3

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324    1.8977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977   -1.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003FHX

>  <Chemical_Name>
2,3-Dichlorothiophene-5-sulfonamide

>  <CAS_Number>
256353-34-1

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    2.1856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003J9Z

>  <Chemical_Name>
3-Chloro-6-fluorobenzo[b]thiophene-2-carbonyl chloride

>  <CAS_Number>
34576-83-5

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.8621   -0.5856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  7 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JAF

>  <Chemical_Name>
3-Chlorobenzo[b]thiophene-2-carboxamide

>  <CAS_Number>
21211-09-6

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1321    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3212    3.9498    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003Q30

>  <Chemical_Name>
Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate

>  <CAS_Number>
35978-33-7

$$$$

  -INDIGO-08032105172D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.4214   -1.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8998   -1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107   -0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8564   -2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529    2.3912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -1.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003Q3D

>  <Chemical_Name>
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

>  <CAS_Number>
76981-71-0

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003RRT

>  <Chemical_Name>
Methyl 3-chlorobenzo[b]thiophene-2-carboxylate

>  <CAS_Number>
21211-07-4

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.5812   -2.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  1  0  0  0  0
  9 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG004VYJ

>  <Chemical_Name>
Benzo[b]thiophene-3-methanol,5-bromo-

>  <CAS_Number>
852180-52-0

$$$$

  -INDIGO-08032105172D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    1.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9912    1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3239    3.1179    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9383    3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7492    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  2  0  0  0  0
 11 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 17  4  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0057IJ

>  <Chemical_Name>
7-(Diethylamino)-3-(thiophene-3-carbonyl)-2H-chromen-2-one

>  <CAS_Number>
77820-11-2

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005DP6

>  <Chemical_Name>
3-Bromothiophene-2-carboxamide

>  <CAS_Number>
78031-18-2

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.2000    2.7713    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0063TI

>  <Chemical_Name>
5-Bromobenzo[b]thiophene-3-carboxylic acid

>  <CAS_Number>
7312-24-5

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.7561   -0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.7323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    1.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2103   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG00694Q

>  <Chemical_Name>
5-Chloro-4-nitrothiophene-2-carboxylic acid

>  <CAS_Number>
89166-85-8

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758   -1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0070AM

>  <Chemical_Name>
Ethyl 2-amino-5-ethylthiophene-3-carboxylate

>  <CAS_Number>
4507-13-5

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -3.9431   -1.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  1  0  0  0  0
  4  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  3  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00737U

>  <Chemical_Name>
2-Amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

>  <CAS_Number>
42225-04-7

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.4214   -2.3030    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00773J

>  <Chemical_Name>
Benzo[b]thiophene-3-carbonyl chloride

>  <CAS_Number>
39827-12-8

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007IFF

>  <Chemical_Name>
Ethyl 3-aminothiophene-2-carboxylate

>  <CAS_Number>
31823-64-0

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    1.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838   -0.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG007SHR

>  <Chemical_Name>
Methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

>  <CAS_Number>
184174-80-9

$$$$

  -INDIGO-08032105172D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.6552   -1.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218   -2.6618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0085F6

>  <Chemical_Name>
Dimethyl 5-amino-3-methylthiophene-2,4-dicarboxylate

>  <CAS_Number>
103765-33-9

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0087R4

>  <Chemical_Name>
Methyl 4-amino-5-chlorothiophene-2-carboxylate

>  <CAS_Number>
89499-44-5

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -6.0491    3.5905    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4578    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7475    0.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998    1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00AD24

>  <Chemical_Name>
METHYL 3-[(2-CHLOROACETYL)AMINO]THIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
146381-88-6

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.9865   -0.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4648   -1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00AE3B

>  <Chemical_Name>
ethyl 1-benzothiophene-3-carboxylate

>  <CAS_Number>
19156-49-1

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BZ1A

>  <Chemical_Name>
5-CHLORO-2-THIOPHENECARBOXYLIC ACID HYDRAZIDE

>  <CAS_Number>
351983-31-8

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0758   -1.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Catalog_Number>
AG00C10G

>  <Chemical_Name>
4-BROMO-5-ETHYL-THIOPHENE-2-CARBALDEHYDE

>  <CAS_Number>
36880-34-9

$$$$

  -INDIGO-08032105172D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -4.0621   -0.8000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  4  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00C7IQ

>  <Chemical_Name>
2-IODO-BENZO[B]THIOPHENE

>  <CAS_Number>
36748-89-7

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.0505    1.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.5405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    2.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D8JP

>  <Chemical_Name>
2-AMINO-4-ETHYL-5-METHYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER

>  <CAS_Number>
4815-25-2

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.2182    1.0897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00D9TT

>  <Chemical_Name>
5-ACETYL-2-THIOPHENECARBALDEHYDE

>  <CAS_Number>
4565-29-1

$$$$

  -INDIGO-08032105172D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.3308   -0.0191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036    2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    1.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6951    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 10  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00DFFB

>  <Chemical_Name>
2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC ACID AMIDE

>  <CAS_Number>
4815-35-4

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.4621    2.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    2.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00E9VF

>  <Chemical_Name>
3-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID HYDRAZIDE

>  <CAS_Number>
62524-21-4

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.7743    1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1235   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0640   -1.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5856    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1856   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EB1H

>  <Chemical_Name>
5-(METHYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID

>  <CAS_Number>
60166-86-1

$$$$

  -INDIGO-08032105172D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1321    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3212    3.9498    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EC0C

>  <Chemical_Name>
2-AMINO-4-(4-CHLORO-PHENYL)-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER

>  <CAS_Number>
65234-09-5

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -5.4648   -1.3141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG00G47O

>  <Chemical_Name>
1-BENZOTHIOPHENE-3-CARBOHYDRAZIDE

>  <CAS_Number>
78676-34-3

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214   -2.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758   -0.2435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    2.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00IITW

>  <Chemical_Name>
(6S)-2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

>  <CAS_Number>
95211-68-0

$$$$

  -INDIGO-08032105172D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    2.1383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214   -3.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  3  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG000Z39

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-amino-4-cyano-5-(methylthio)-, methyl ester

>  <CAS_Number>
129332-45-2

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -5.1935   -2.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6023   -2.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618   -1.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617   -0.6508    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327    1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8543    2.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001BTF

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-ethoxy-

>  <CAS_Number>
139926-23-1

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.4578    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998    1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001BTG

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 3-ethoxy-, methyl ester

>  <CAS_Number>
139926-22-0

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG001KLL

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2,5-dichloro-, methyl ester

>  <CAS_Number>
145129-54-0

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -5.3036    1.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3036   -0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6892   -1.3382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9179   -1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323   -0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706   -1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001MNS

>  <Chemical_Name>
Benzo[b]thiophene-2-acetic acid, 3-methyl-

>  <CAS_Number>
1505-52-8

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  2  9  1  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14  9  4  0  0  0  0
M  END
>  <Catalog_Number>
AG001X6S

>  <Chemical_Name>
Thiophene, 3-(phenylsulfonyl)-

>  <CAS_Number>
16718-05-1

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    2.1383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214   -3.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  3  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0020HD

>  <Chemical_Name>
2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-, methyl ester

>  <CAS_Number>
175202-48-9

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.1569    0.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -0.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  1  0  0  0  0
  8 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  5  4  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG0020K8

>  <Chemical_Name>
Benzo[b]thiophene, 2-bromo-5-chloro-3-methyl-

>  <CAS_Number>
175203-60-8

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.5122    0.5794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9233   -1.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0020RM

>  <Chemical_Name>
3-Thiopheneacetic acid, hydrazide

>  <CAS_Number>
175276-94-5

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -7.3054   -0.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6546   -2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5951   -3.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  8  4  0  0  0  0
M  END
>  <Catalog_Number>
AG002KKI

>  <Chemical_Name>
2-Thiophenepentanoic acid

>  <CAS_Number>
21010-06-0

$$$$

  -INDIGO-08032105172D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    3.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3912   -1.5529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1321    2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    3.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778    4.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3212    3.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00314R

>  <Chemical_Name>
3-Thiophenecarboxylic acid, 2-amino-4-(3,4-dimethylphenyl)-, ethyl ester

>  <CAS_Number>
307511-65-5

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -6.8066    1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122    0.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0505    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7561    0.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9233   -1.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0034WY

>  <Chemical_Name>
ETHYL THIOPHENE-3-ACETATE

>  <CAS_Number>
37784-63-7

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -5.7974    0.2509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  7  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003EZ3

>  <Chemical_Name>
BENZO[B]THIOPHENE-3-ACETONITRILE

>  <CAS_Number>
3216-48-6

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.0510    2.6809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003GB1

>  <Chemical_Name>
5-Acetylthiophene-2-carbonitrile

>  <CAS_Number>
88653-55-8

$$$$

  -INDIGO-08032105172D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.6289    2.2420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272    2.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473   -0.1492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530   -2.3650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5383   -2.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7541   -0.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  1  0  0  0  0
  5  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  4  4  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003GFN

>  <Chemical_Name>
2-Amino-4-methylthiophene-3-carboxamide

>  <CAS_Number>
4651-97-2

$$$$

  -INDIGO-08032105172D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.1569    2.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3856    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.0161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.5856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    2.1856    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  2  4  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003IQC

>  <Chemical_Name>
3,6-Dichlorobenzo[b]thiophene-2-carbonyl chloride

>  <CAS_Number>
34576-85-7

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7380    2.7541    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003J5E

>  <Chemical_Name>
3-Bromo-2-(diethoxymethyl)thiophene

>  <CAS_Number>
34042-95-0

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8621    2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0161   -2.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    2.4000    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  7  8  1  0  0  0  0
  6  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  5  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003JQM

>  <Chemical_Name>
3-Methylbenzo[b]thiophene-2-carbaldehyde

>  <CAS_Number>
22053-74-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.2420    1.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003JS5

>  <Chemical_Name>
3-Methylthiophene-2-carboxamide

>  <CAS_Number>
76655-99-7

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.0363    0.9214    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324    1.8977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977   -1.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003KHG

>  <Chemical_Name>
4,5-Dibromothiophene-2-sulfonyl chloride

>  <CAS_Number>
81606-31-7

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 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  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  3  4  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003KIF

>  <Chemical_Name>
4,5-Dimethylthiophene-2-carbaldehyde

>  <CAS_Number>
5928-48-3

$$$$

  -INDIGO-08032105172D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003ML4

>  <Chemical_Name>
5-Bromothiophene-2-carbaldehyde oxime

>  <CAS_Number>
2160-63-6

$$$$

  -INDIGO-08032105172D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -5.3308   -0.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363    0.9214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2036    2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -1.4617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420   -1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4835    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5650    0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2324    1.8977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8977   -1.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.6653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <Catalog_Number>
AG003MO9

>  <Chemical_Name>
5-Chloro-4-nitrothiophene-2-sulfonyl chloride

>  <CAS_Number>
58457-24-2

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7380    2.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Catalog_Number>
AG003RU6

>  <Chemical_Name>
METHYL 4,5-DIBROMO-3-HYDROXYTHIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
96232-71-2

$$$$

  -INDIGO-08032105172D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -4.8621    0.5856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217    0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5217   -2.0944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856   -2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3856    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  4  4  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11 12  4  0  0  0  0
 12  6  4  0  0  0  0
M  END
>  <Catalog_Number>
AG003URV

>  <Chemical_Name>
Benzo[b]thiophene-2-carboxamide

>  <CAS_Number>
6314-42-7

$$$$

  -INDIGO-08032105172D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.4840    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   -2.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  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
M  END
>  <Catalog_Number>
AG003USO

>  <Chemical_Name>
3-(Diethoxymethyl)thiophene

>  <CAS_Number>
3199-44-8

$$$$

  -INDIGO-08032105172D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.2944   -0.9405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
>  <Catalog_Number>
AG005RQR

>  <Chemical_Name>
2,5-Dihydrothiophene 1,1-dioxide

>  <CAS_Number>
77-79-2

$$$$

  -INDIGO-08032105172D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.6000   -1.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405   -1.2944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8478   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2334    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8478    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
M  END
>  <Catalog_Number>
AG009IJR

>  <Chemical_Name>
Benzo[b]thiophene-2-sulfonyl chloride, 4,5,6,7-tetrahydro- (9CI)

>  <CAS_Number>
128852-17-5

$$$$

  -INDIGO-08032105172D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -3.7087   -4.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1870   -3.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8543   -2.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3327   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564   -2.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    1.0218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706    2.5747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4617    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2330    0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6186   -0.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6186   -1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2330   -2.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -2.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -4.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3899   -1.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3899   -3.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  4  0  0  0  0
  7  8  1  0  0  0  0
  7  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10 11  4  0  0  0  0
 11  6  4  0  0  0  0
 11 12  1  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 17  4  0  0  0  0
 17 12  4  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00BGWE

>  <Chemical_Name>
3-THIOPHENECARBOXYLIC ACID, 2-AMINO-4-[4-(1,1-DIMETHYLETHYL)PHENYL]-, ETHYL ESTER

>  <CAS_Number>
307511-84-8

$$$$

  -INDIGO-08032105172D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.4578    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    3.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9563   -1.2202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -2.2420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890    1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107    0.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8998    1.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5671    3.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454    3.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8564    2.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529   -2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  1  0  0  0  0
  6  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9 10  4  0  0  0  0
 10  5  4  0  0  0  0
 10 11  1  0  0  0  0
 11 12  4  0  0  0  0
 12 13  4  0  0  0  0
 13 14  4  0  0  0  0
 14 15  4  0  0  0  0
 15 16  4  0  0  0  0
 16 11  4  0  0  0  0
  9 17  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00C10H

>  <Chemical_Name>
2-AMINO-5-METHYL-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER

>  <CAS_Number>
350988-88-4

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -3.9563    1.2202    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3650    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672    1.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    2.3912    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00EBNV

>  <Chemical_Name>
3-BROMO-2,5-DICHLOROTHIOPHENE

>  <CAS_Number>
60404-18-4

$$$$

  -INDIGO-08032105172D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.1229   -0.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5317   -1.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2420    1.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000   -1.3856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323    0.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0706    1.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9179    1.3383    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5541   -2.1236    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Catalog_Number>
AG00ED5G

>  <Chemical_Name>
METHYL4,5-DIBROMOTHIOPHENE-2-CARBOXYLATE

>  <CAS_Number>
62224-24-2

$$$$

  -INDIGO-08032105172D

 27 30  0  0  1  0  0  0  0  0999 V2000
   -4.6951   -0.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2007    0.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2713    1.7127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8363    1.3801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.9069    2.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5743    4.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9599    4.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1490    3.8635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4982    2.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3308   -0.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2601   -1.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8958   -0.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356    0.8564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650   -0.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747   -3.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9603   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5747   -0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    1.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6508    1.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    4.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317    4.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    2.5889    0.0000 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
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  4  0  0  0  0
  6  7  4  0  0  0  0
  7  8  4  0  0  0  0
  8  9  4  0  0  0  0
  9  5  4  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 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
 15 16  1  0  0  0  0
 16 17  4  0  0  0  0
 17 18  4  0  0  0  0
 18 19  4  0  0  0  0
 19 20  4  0  0  0  0
 20 21  4  0  0  0  0
 21 16  4  0  0  0  0
 21 22  1  0  0  0  0
 22 23  4  0  0  0  0
 23 15  1  0  0  0  0
 23 24  4  0  0  0  0
 24 25  4  0  0  0  0
 25 26  4  0  0  0  0
 26 27  4  0  0  0  0
 27 22  4  0  0  0  0
M  END
>  <Catalog_Number>
AG0015W6

>  <Chemical_Name>
3-Thiopheneacetic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-

>  <CAS_Number>
1217706-09-6

$$$$

  -INDIGO-08032105172D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.4460    2.8161    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944    1.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -0.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217   -0.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0434   -0.9889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  4  0  0  0  0
  3  4  4  0  0  0  0
  4  5  4  0  0  0  0
  5  6  4  0  0  0  0
  6  2  4  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Catalog_Number>
AG002HLD

>  <Chemical_Name>
3-Thiophenecarbonitrile, 4-bromo-

>  <CAS_Number>
18895-10-8

$$$$
