smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)O[P@@](=O)([O-])OP(=O)([O-])[O-] ZINC000008220176 560207413 /nfs/dbraw/zinc/20/74/13/560207413.db2.gz SDXCRASCLFBFND-ATGUSINASA-N -3 0 382.330 4.630 10 30 in-vitro GJEERL O=C([O-])c1ccc(N=NC(N=Nc2ccc(C(=O)[O-])cc2)c2ccccc2)cc1 ZINC000015771999 210168267 /nfs/dbraw/zinc/16/82/67/210168267.db2.gz SDGBZJGBNHNZEV-DYBOKRGISA-N -2 0 388.383 4.641 10 30 GJEERL C=CC(C)(C)c1c([O-])c2c(O)c3cc(O)c([O-])c(CC=C(C)C)c3oc-2cc1=O ZINC000013412042 206247404 /nfs/dbraw/zinc/24/74/04/206247404.db2.gz LVKPSBFBKBJJOB-UHFFFAOYSA-N -2 0 396.439 4.741 10 30 biogenic,in-vivo GJEERL C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[P@@](=O)([O-])OP(=O)([O-])[O-] ZINC000008220177 560207442 /nfs/dbraw/zinc/20/74/42/560207442.db2.gz SDXCRASCLFBFND-GOFCXVBSSA-N -3 0 382.330 4.630 10 30 in-vitro GJEERL