dhfr00009.sdf | searchcode

/data/set2/dhfr00009.sdf

http://github.com/rajarshi/cdkr
Unknown | 109 lines | 109 code | 0 blank | 0 comment | 0 complexity | 23c5226e5994eef1864afbb873376cd7 MD5 | raw file

1-125850
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-125850
>  <Family>
A
>  <PC_uM>
12.8
>  <TG_uM>
0.86
>  <RL_uM>
2.06
>  <set>
2
$$$$