smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc2c(c1O)[C@@H](c1c(O)n(C)c(=S)n(C)c1=O)OC2 ZINC000003999910 406720490 /nfs/dbraw/zinc/72/04/90/406720490.db2.gz CNVMFUBBVIQIQW-NSHDSACASA-N -2 2 321.358 1.188 50 0 biogenic DDAALL O=C([O-])c1ccc(COc2ccccc2[P@](=O)([O-])O)cc1 ZINC000009306259 406805098 /nfs/dbraw/zinc/80/50/98/406805098.db2.gz XNWYRTVGHIAHPO-UHFFFAOYSA-N -2 2 308.226 1.767 50 0 DDAALL O=C([O-])c1ccc(COc2ccccc2[P@@](=O)([O-])O)cc1 ZINC000009306259 406805101 /nfs/dbraw/zinc/80/51/01/406805101.db2.gz XNWYRTVGHIAHPO-UHFFFAOYSA-N -2 2 308.226 1.767 50 0 DDAALL O=C(Nc1ncccc1O)c1c(O)n2c3c(cccc3c1=O)CC2 ZINC000001245737 406666961 /nfs/dbraw/zinc/66/69/61/406666961.db2.gz VVLRBYHBQDFTNW-UHFFFAOYSA-N -2 2 323.308 1.616 50 0 DDAALL