smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)sc1C(=O)[O-] ZINC000032926328 212873669 /nfs/dbraw/zinc/87/36/69/212873669.db2.gz BNQYEQLFHDLBTB-UHFFFAOYSA-N -2 2 341.366 2.254 50 0 EEAALL CCn1c(O)c([C@H]2c3ccccc3CCN2C(C)=O)c(=O)[nH]c1=S ZINC000100912154 219111006 /nfs/dbraw/zinc/11/10/06/219111006.db2.gz GUWMNLIDUGEWGJ-CQSZACIVSA-N -2 2 345.424 2.125 50 0 EEAALL