smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Sc2nc(C(F)F)n[nH]2)c([N+](=O)[O-])c1 ZINC000216903974 376168477 /nfs/dbraw/zinc/16/84/77/376168477.db2.gz LRSKMENAGBJANP-UHFFFAOYSA-N -1 2 286.263 3.110 40 5 CGBBLM O=[P@]([O-])(O)Oc1c(O)c2ccccc2c2ccccc21 ZINC000001689477 368431656 /nfs/dbraw/zinc/43/16/56/368431656.db2.gz FBPTUSDSHLVZBC-UHFFFAOYSA-N -1 2 290.211 3.170 40 5 CGBBLM O=[P@@]([O-])(O)Oc1c(O)c2ccccc2c2ccccc21 ZINC000001689477 368431660 /nfs/dbraw/zinc/43/16/60/368431660.db2.gz FBPTUSDSHLVZBC-UHFFFAOYSA-N -1 2 290.211 3.170 40 5 CGBBLM Cc1cc([N+](=O)[O-])ccc1Sc1nc(C(F)F)n[nH]1 ZINC000216903405 376168653 /nfs/dbraw/zinc/16/86/53/376168653.db2.gz WGIQKJOMKUJHPY-UHFFFAOYSA-N -1 2 286.263 3.110 40 5 CGBBLM