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/CO[P@@](=O)([O-])O ZINC000002556391 563924906 /nfs/dbraw/zinc/92/49/06/563924906.db2.gz ALEWCKXBHSDCCT-YFVJMOTDSA-N -1 2 302.351 4.515 40 0 in-vitro DJABLM CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[P@](=O)([O-])O ZINC000002556391 563924907 /nfs/dbraw/zinc/92/49/07/563924907.db2.gz ALEWCKXBHSDCCT-YFVJMOTDSA-N -1 2 302.351 4.515 40 0 in-vitro DJABLM