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\Cc1c(=O)cc(O)c2c(O)c3cccc(O)c3oc1-2 ZINC000015120715 212117286 /nfs/dbraw/zinc/11/72/86/212117286.db2.gz PCKHKINJZFNYEO-UVTDQMKNSA-N -2 2 380.440 5.298 1 5 endogenous,in-man GKBFLL