smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](C[P@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000027523565 202155854 /nfs/dbraw/zinc/15/58/54/202155854.db2.gz SWJKFVWWOVUSMN-PRJMDXOYSA-N -1 1 331.225 -0.011 1 10 EBCFMM [N-]=[N+]=NC[C@@H](Cn1cnc2c1nc(N)[nH]c2=O)OC[P@](=O)([O-])O ZINC000003842993 210078657 /nfs/dbraw/zinc/07/86/57/210078657.db2.gz VWPXHOHRDQCOKV-YFKPBYRVSA-N -1 1 344.228 -0.468 1 10 EBCFMM