3594BTA.dwar. Data from the 3549 BTA-derived non-toxic fitted-children from Figure , were tabulated in this file. The file contains all randomly generated 3D conformer order (ID), with their corresponding 2D and 3D chemical structures, molecular weights, cLogP hydrophobicities, order number by docking score (NN) and their ADV affinity in kcal/mol and calculated ~ nM. The file can be opened in freely-available DW program ( ).