Title :- Prediction of Compounds in Different Local SAR Environments using ECP 


SD files of 15 data sets reported in the manuscript are uploaded.
Each data set is represented by its CHEMBL Target ID. 
The SD files comprise of the following Tags:

1) <chembl_id>	: corresponding CHEMBLID of the compound
2) <ecfp4>	: corresponding ECFP4 fingerprints
3) <Ki>		: potency value in terms of Ki in nanoMolar units
4) <RawDisc>	: raw discontinuity score
5) <NorDisc>	: normalized discontinuity score
6) <NBRS>	: number of compound neighbors with ECFP4 Tc > 0.3
7) <class>	: "low", "intermediate" or "high" class according to the discontinuity categorization scheme