smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=Cc2ccccc2C=C2C(=O)NC(=O)NC2=O)C(=O)N1 ZINC000003068107 484964250 /nfs/dbraw/zinc/96/42/50/484964250.db2.gz LCWZESJNVQYSMT-UHFFFAOYSA-N 0 2 354.278 -0.815 40 10 FBCBLN O=C1NN(c2ccc(F)c(Cl)c2)C(=O)C1=C1C(=O)NC(=O)NC1=O ZINC000005943922 483416809 /nfs/dbraw/zinc/41/68/09/483416809.db2.gz VTKGKFWROYATJO-UHFFFAOYSA-N 0 2 352.665 -0.481 40 10 FBCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNC(CO)(CO)CO)C2=O)c(C)c1 ZINC000008301985 483426150 /nfs/dbraw/zinc/42/61/50/483426150.db2.gz QGOSLONWXUIZPL-WUXMJOGZSA-N 0 2 363.370 -0.925 40 10 FBCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNC(CO)(CO)CO)C2=O)c(C)c1 ZINC000100958870 132233563 /nfs/dbraw/zinc/23/35/63/132233563.db2.gz QGOSLONWXUIZPL-SDQBBNPISA-N 0 2 363.370 -0.925 40 10 FBCBLN