smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000020040224 555613428 /nfs/dbraw/zinc/61/34/28/555613428.db2.gz FKNVJIRHNXURQT-UHFFFAOYSA-N -2 3 463.497 2.436 40 5 JEBBHL O=c1nc(C=Cc2cc(Br)cc(I)c2[O-])c([N+](=O)[O-])c([O-])[n-]1 ZINC000108170762 569858926 /nfs/dbraw/zinc/85/89/26/569858926.db2.gz IQWWALKXNMBAMU-OWOJBTEDSA-N -3 3 480.012 2.215 40 5 JEBBHL