smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC(C)(C)c1c(=O)cc([O-])c2c(O)c3c(cc([O-])c(O)c3CC=C(C)C)oc1-2 ZINC000013411975 209164610 /nfs/dbraw/zinc/16/46/10/209164610.db2.gz FUEJTEBWTNXAPG-UHFFFAOYSA-N -2 1 396.439 4.741 10 30 in-vitro GJEEML C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)O[P@@](=O)([O-])O[P@@](=O)([O-])O ZINC000008220176 560207414 /nfs/dbraw/zinc/20/74/14/560207414.db2.gz SDXCRASCLFBFND-ATGUSINASA-N -2 1 382.330 4.630 10 30 in-vitro GJEEML C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)O[P@@](=O)([O-])O[P@](=O)([O-])O ZINC000008220176 560207416 /nfs/dbraw/zinc/20/74/16/560207416.db2.gz SDXCRASCLFBFND-ATGUSINASA-N -2 1 382.330 4.630 10 30 in-vitro GJEEML C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[P@@](=O)([O-])O[P@@](=O)([O-])O ZINC000008220177 560207444 /nfs/dbraw/zinc/20/74/44/560207444.db2.gz SDXCRASCLFBFND-GOFCXVBSSA-N -2 1 382.330 4.630 10 30 in-vitro GJEEML C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O[P@@](=O)([O-])O[P@](=O)([O-])O ZINC000008220177 560207445 /nfs/dbraw/zinc/20/74/45/560207445.db2.gz SDXCRASCLFBFND-GOFCXVBSSA-N -2 1 382.330 4.630 10 30 in-vitro GJEEML