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-])[C@H]1CS(=O)(=O)CCN1C(=O)CCc1ccc(S(=O)(=O)F)cc1 ZINC001574668829 962539729 /nfs/dbraw/zinc/53/97/29/962539729.db2.gz LUKUVGIFDLACPO-GFCCVEGCSA-N -1 0 393.414 -0.012 20 70 GBIDRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)CCc1ccc(S(=O)(=O)F)cc1 ZINC001574668830 962538744 /nfs/dbraw/zinc/53/87/44/962538744.db2.gz LUKUVGIFDLACPO-LBPRGKRZSA-N -1 0 393.414 -0.012 20 70 GBIDRM O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 ZINC001574669005 962540700 /nfs/dbraw/zinc/54/07/00/962540700.db2.gz NRDGZIAXEVFXMC-LLVKDONJSA-N -1 0 379.387 -0.403 20 70 GBIDRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 ZINC001574669007 962541157 /nfs/dbraw/zinc/54/11/57/962541157.db2.gz NRDGZIAXEVFXMC-NSHDSACASA-N -1 0 379.387 -0.403 20 70 GBIDRM