smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)N=C(O)N[C@H](CO)C(=O)[O-])cc1 ZINC000031901234 374448776 /nfs/dbraw/zinc/44/87/76/374448776.db2.gz YJOYEIRYJDOKCG-SECBINFHSA-N -1 2 302.308 -0.367 40 30 DBEBLM