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-])c1cc(-c2ccc(-c3nnn[n-]3)cc2)nc2ccc3ccccc3c21 ZINC000005777300 207116416 /nfs/dbraw/zinc/11/64/16/207116416.db2.gz MBNWJVACJFAXNK-UHFFFAOYSA-N -2 3 367.368 3.933 40 5 FHBBHL O=C([O-])c1cc(-c2ccc(-c3nn[n-]n3)cc2)nc2ccc3ccccc3c21 ZINC000005777300 207116418 /nfs/dbraw/zinc/11/64/18/207116418.db2.gz MBNWJVACJFAXNK-UHFFFAOYSA-N -2 3 367.368 3.933 40 5 FHBBHL O=c1nc(C=Cc2ccc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000409388162 570756668 /nfs/dbraw/zinc/75/66/68/570756668.db2.gz KPZZEMTXTIIJGC-GQCTYLIASA-N -2 3 359.725 3.880 40 5 FHBBHL