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-])c1ccc(O[P@](=O)([O-])O)cc1-c1ccccc1 ZINC000071296334 176112128 /nfs/dbraw/zinc/11/21/28/176112128.db2.gz KLDREDYBGVYJJP-UHFFFAOYSA-N -1 2 295.187 2.733 1 5 CFBFLM O=[N+]([O-])c1ccc(O[P@@](=O)([O-])O)cc1-c1ccccc1 ZINC000071296334 176112129 /nfs/dbraw/zinc/11/21/29/176112129.db2.gz KLDREDYBGVYJJP-UHFFFAOYSA-N -1 2 295.187 2.733 1 5 CFBFLM O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[P@](=O)([O-])O ZINC000071329800 176124473 /nfs/dbraw/zinc/12/44/73/176124473.db2.gz FUXXXZADXIBHGW-UHFFFAOYSA-N -1 2 295.187 2.733 1 5 CFBFLM O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[P@@](=O)([O-])O ZINC000071329800 176124475 /nfs/dbraw/zinc/12/44/75/176124475.db2.gz FUXXXZADXIBHGW-UHFFFAOYSA-N -1 2 295.187 2.733 1 5 CFBFLM