smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)[N-]S(=O)(=O)c1cccnc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000043587294 563120914 /nfs/dbraw/zinc/12/09/14/563120914.db2.gz AFILUQSERMWDHL-SNVBAGLBSA-N -1 0 438.405 2.759 1 70 IFIFRM C[C@@H](C(=O)[N-]S(=O)(=O)C(F)(F)F)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000043587265 563120896 /nfs/dbraw/zinc/12/08/96/563120896.db2.gz DCPLGXALZGZMDT-ZCFIWIBFSA-N -1 0 429.316 2.825 1 70 IFIFRM