smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])N=C1N[C@@H]2[N-]c3nonc3[N-][C@H]2N1 ZINC000004552124 346604114 /nfs/dbraw/zinc/60/41/14/346604114.db2.gz WGSCVAKZPHPRBU-LWMBPPNESA-N -2 3 226.156 -1.700 50 30 BAEAHL O=[N+]([O-])N=C1N[C@H]2[N-]c3nonc3[N-][C@@H]2N1 ZINC000004552127 346604126 /nfs/dbraw/zinc/60/41/26/346604126.db2.gz WGSCVAKZPHPRBU-JCYAYHJZSA-N -2 3 226.156 -1.700 50 30 BAEAHL