dhfr00024.sdf | searchcode

/data/set2/dhfr00024.sdf

http://github.com/rajarshi/cdkr · Unknown · 103 lines · 103 code · 0 blank · 0 comment · 0 complexity · 0152cb21d38c48df9929d78b5a374ab1 MD5 · raw file

1-400654
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  END
>  <Name>
1-400654
>  <Family>
A
>  <PC_uM>
1.400000
>  <TG_uM>
N/A
>  <RL_uM>
0.280000
>  <set>
1
$$$$