thmtt commited on
Commit
fce966a
·
verified ·
1 Parent(s): 28b50d4

Upload chembl1862_ki.csv with huggingface_hub

Browse files
Files changed (1) hide show
  1. chembl1862_ki.csv +1 -1
chembl1862_ki.csv CHANGED
@@ -1,4 +1,4 @@
1
- smiles,y
2
  Nc1[nH]cnc2nnc(-c3ccc(Cl)cc3)c1-2,-2.6989700043360187
3
  Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1C,-3.6989700043360183
4
  O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1,-3.0
 
1
+ SMILES,Ki
2
  Nc1[nH]cnc2nnc(-c3ccc(Cl)cc3)c1-2,-2.6989700043360187
3
  Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1C,-3.6989700043360183
4
  O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1,-3.0