smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=S)[N-]C2=O)cc1 ZINC000004711859 210256206 /nfs/dbraw/zinc/25/62/06/210256206.db2.gz UICCXLYUYHWBCE-WQLSENKSSA-N -2 1 330.390 2.664 50 10 EFCAML O=C([O-])c1cccc(-n2cccc2/C=C2/SC(=S)[N-]C2=O)c1 ZINC000004674127 210242294 /nfs/dbraw/zinc/24/22/94/210242294.db2.gz TWEFHBAESRBJMB-XYOKQWHBSA-N -2 1 330.390 2.664 50 10 EFCAML O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3NC(=S)[N-]C3=O)o2)c1 ZINC000002163886 471403303 /nfs/dbraw/zinc/40/33/03/471403303.db2.gz WXCGAGUTTYDFDJ-WDZFZDKYSA-N -2 1 348.767 2.643 50 10 EFCAML O=C([O-])c1cc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)ccc1O ZINC000015659798 544427266 /nfs/dbraw/zinc/42/72/66/544427266.db2.gz SXAUTKUIIXFACR-SDQBBNPISA-N -2 1 331.305 2.674 50 10 EFCAML