smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000019397697 212026028 /nfs/dbraw/zinc/02/60/28/212026028.db2.gz WFFVEJMWWQODLV-UHFFFAOYSA-N -1 3 345.193 2.971 30 0 EFACHM Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1 ZINC000040571831 213352449 /nfs/dbraw/zinc/35/24/49/213352449.db2.gz BPIHTMMHYSVFRJ-UHFFFAOYSA-N -1 3 345.193 2.971 30 0 EFACHM Nc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1 ZINC000037408980 213144368 /nfs/dbraw/zinc/14/43/68/213144368.db2.gz FDAMEIHAKRWFGH-UHFFFAOYSA-N -1 3 345.193 2.971 30 0 EFACHM Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1 ZINC000040571828 213352087 /nfs/dbraw/zinc/35/20/87/213352087.db2.gz RDYTYHWKFAPMCF-UHFFFAOYSA-N -1 3 345.193 2.971 30 0 EFACHM