dhfr00023.sdf | searchcode

/data/set2/dhfr00023.sdf

http://github.com/rajarshi/cdkr
Unknown | 111 lines | 111 code | 0 blank | 0 comment | 0 complexity | e227089fc458a1708e3941229c0b4095 MD5 | raw file

1-382046
  Cerius2 12180216023D 1   1.00000                          
 Structure written by MMmdl.
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M  CHG  2  18   1  20  -1
M  END
>  <Name>
1-382046
>  <Family>
A
>  <PC_uM>
1.030000
>  <TG_uM>
0.019000
>  <RL_uM>
0.025000
>  <set>
2
$$$$