/data/set2/dhfr00016.sdf

1-330463
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
 31 32  0  0  0  0  0  0  0  0999 V2000
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   -3.1463   -1.0845    0.3580 C   0  0  0  0  0  0
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    4.5753    2.9170   -0.5515 Cl  0  0  0  0  0  0
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    0.7761   -4.0779   -1.2586 H   0  0  0  0  0  0
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    1.0490   -2.0311    0.0703 H   0  0  0  0  0  0
    0.6198   -1.6476   -1.6083 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
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  5  7  1  0  0  0
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  7  8  2  0  0  0
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  8  9  1  0  0  0
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  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
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 14 25  1  0  0  0
 14 26  1  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 18 19  3  0  0  0
M  CHG  1  18   1
M  END
>  <Name>
1-330463
>  <Family>
A
>  <PC_uM>
0.190000
>  <TG_uM>
0.023000
>  <RL_uM>
0.032000
>  <set>
1
$$$$