smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H]([P@@](=O)([O-])O)S(=O)(=O)[O-] ZINC000013746348 560220299 /nfs/dbraw/zinc/22/02/99/560220299.db2.gz GAGCDEGBGYUQJJ-UTWGVSKESA-N -2 0 408.497 4.968 1 0 in-vitro HJAFRL CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H]([P@@](=O)([O-])O)S(=O)(=O)[O-] ZINC000013746350 560220288 /nfs/dbraw/zinc/22/02/88/560220288.db2.gz GAGCDEGBGYUQJJ-ANFLJRJNSA-N -2 0 408.497 4.968 1 0 in-vitro HJAFRL