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-])C1=NC(N=Nc2ccc(S(=O)(=O)[O-])cc2)N=C1C(=O)[O-] ZINC000033838927 376057258 /nfs/dbraw/zinc/05/72/58/376057258.db2.gz OJCUBWLOEZHYSS-UHFFFAOYSA-N -3 0 340.273 -0.319 10 30 EBEERL Cc1c(C#N)c(=O)n(CCO)c([O-])c1[NH+]=Nc1nc(C(=O)[O-])n[n-]1 ZINC000012372065 211358617 /nfs/dbraw/zinc/35/86/17/211358617.db2.gz PRMPOQQYWWFBRZ-BMRADRMJSA-N -2 0 333.264 -0.042 10 30 EBEERL