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-])c1cccc(S(=O)(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)c1 ZINC000096753155 569402348 /nfs/dbraw/zinc/40/23/48/569402348.db2.gz YZTQFTIYYYNBKH-UHFFFAOYSA-N -1 2 448.572 5.099 50 10 IKCALM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1Cl ZINC000009353975 132314236 /nfs/dbraw/zinc/31/42/36/132314236.db2.gz PIDIMKIDGYLAFM-WCIBSUBMSA-N -1 2 425.655 5.168 50 10 IKCALM