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/data/set2/dhfr00031.sdf

http://github.com/rajarshi/cdkr
Unknown | 132 lines | 132 code | 0 blank | 0 comment | 0 complexity | a8264b8524abb989adcd3e025810aec4 MD5 | raw file
  1. 2-23b
  2. Cerius2 12180216023D 1 1.00000
  3. Structure written by MMmdl.
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  119. M END
  120. > <Name>
  121. 2-23b
  122. > <Family>
  123. A
  124. > <PC_uM>
  125. 1.300000
  126. > <TG_uM>
  127. 0.080000
  128. > <RL_uM>
  129. 0.990000
  130. > <set>
  131. 1
  132. $$$$