smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cn(-c2ccccc2)c(=O)[n-]c1=O ZINC000026293034 204840219 /nfs/dbraw/zinc/84/02/19/204840219.db2.gz SLKQHGRUGHPJFC-UHFFFAOYSA-N -1 3 378.300 1.235 1 5 GDBFHM [NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c5c[n-]c(=O)nc5oc2c34)C1 ZINC000101748158 208398533 /nfs/dbraw/zinc/39/85/33/208398533.db2.gz BBZBSGGMPXVEFP-ZETCQYMHSA-N -1 3 399.338 1.069 1 5 GDBFHM COc1ccc(-n2nc3c([N-]C(C)=O)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1 ZINC000035943038 210700910 /nfs/dbraw/zinc/70/09/10/210700910.db2.gz ZEKOWQWMQRIXBG-UHFFFAOYSA-N -1 3 394.347 1.909 1 5 GDBFHM