smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)c1cccc(-c2ccc(C(=O)NCCCC[N@H+]3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)c1 ZINC000042784558 562087765 /nfs/dbraw/zinc/08/77/65/562087765.db2.gz OYCWFOLWJZRICL-UHFFFAOYSA-N 1 1 589.636 4.510 1 70 KJIFMO CNC(=O)c1ccc(-c2ccc(C(=O)NCCCC[N@H+]3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)cc2)cc1 ZINC000042784640 562087757 /nfs/dbraw/zinc/08/77/57/562087757.db2.gz AUFOWYXFFKBIDT-UHFFFAOYSA-N 1 1 589.636 4.510 1 70 KJIFMO