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)=CCc1c([O-])ccc(C(=O)/C=C/c2ccccc2)c1[O-] ZINC000015114975 560228323 /nfs/dbraw/zinc/22/83/23/560228323.db2.gz CHWWSUSAPRACBZ-FMIVXFBMSA-N -2 3 308.377 4.503 10 30 biogenic,in-vitro DJEEHL