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-])c1ccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)c3cccc4c3c2NC4=O)cc1 ZINC000001926361 551734765 /nfs/dbraw/zinc/73/47/65/551734765.db2.gz FDYPOXWMGAUKOF-UHFFFAOYSA-N -2 2 567.557 3.404 40 0 KGABLL O=C([O-])c1cccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)c3cccc4c3c2NC4=O)c1 ZINC000001926362 551734805 /nfs/dbraw/zinc/73/48/05/551734805.db2.gz XOWXQFSFRYAQEG-UHFFFAOYSA-N -2 2 567.557 3.404 40 0 KGABLL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000100036981 554191169 /nfs/dbraw/zinc/19/11/69/554191169.db2.gz RSACXXGOTLKZHK-BGYRXZFFSA-N -2 2 612.483 3.479 40 0 KGABLL