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cosmic-amanita commited on
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eea51b6
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1 Parent(s): d5647e8

Added 1 molecules from epoch 18773 to P23975_molecules_TEST.csv

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  1. P23975_molecules_TEST.csv +1 -0
P23975_molecules_TEST.csv CHANGED
@@ -78,3 +78,4 @@ rxn:2:122718:160030,CCc1nn(CC2CC2)cc1CNC1CCc2ccc(-c3cccc4ncnn34)cc21,IZJLVWVIQNV
78
  rxn:5:179760:227848:222992,OC1CCCCN1c1ccc(-c2cccc(Sc3ccc(-c4cccc5cccnc45)cc3)c2)cc1,HUCMHVUQUCONKA-UHFFFAOYSA-N
79
  rxn:2:119055:169083,Cc1cc(-c2scnc2C)ccc1CNC(C)c1ccccc1C(F)(F)C(=N)SC1CCCC1,MWWDDGKEZXJOOJ-UHFFFAOYSA-N
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  rxn:5:194507:227930:228514,O=S(=O)(c1ccccc1)n1ccc2c(-c3cccc(OC4CC4)c3)cc(-c3cccc(C4CC4)c3)cc21,AAGHNACDUJVHCG-UHFFFAOYSA-N
 
 
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  rxn:5:179760:227848:222992,OC1CCCCN1c1ccc(-c2cccc(Sc3ccc(-c4cccc5cccnc45)cc3)c2)cc1,HUCMHVUQUCONKA-UHFFFAOYSA-N
79
  rxn:2:119055:169083,Cc1cc(-c2scnc2C)ccc1CNC(C)c1ccccc1C(F)(F)C(=N)SC1CCCC1,MWWDDGKEZXJOOJ-UHFFFAOYSA-N
80
  rxn:5:194507:227930:228514,O=S(=O)(c1ccccc1)n1ccc2c(-c3cccc(OC4CC4)c3)cc(-c3cccc(C4CC4)c3)cc21,AAGHNACDUJVHCG-UHFFFAOYSA-N
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+ rxn:1:64232:31329,Cc1cccc(-c2cn(CC3CC(=O)N(Cc4cccc5[nH]ncc45)C3)nn2)c1C(=O)O,NFJKQFBQNVEKPG-UHFFFAOYSA-N