smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[C@@H](N=Nc1cc(S(N)(=O)=O)ccc1O)C(=O)Nc1ccccc1 ZINC000038191589 205036174 /nfs/dbraw/zinc/03/61/74/205036174.db2.gz WSXBCVNSUMXNCM-FZFLATATSA-N 0 2 376.394 1.720 10 10 GDCELN