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)=CCc1c2oc3c(c2ccc1[O-])c(=O)oc1cc([O-])ccc31 ZINC000049073510 571764943 /nfs/dbraw/zinc/76/49/43/571764943.db2.gz MQKLGUOASGICKG-UHFFFAOYSA-N -2 3 336.343 4.612 1 5 endogenous,in-man EJBFHL O=[N+]([O-])c1ccc(C2=C(c3ccc([O-])cc3)c3ccc([O-])cc3C2)cc1 ZINC000029466396 202187033 /nfs/dbraw/zinc/18/70/33/202187033.db2.gz CBPWJHMOXKYEGK-UHFFFAOYSA-N -2 3 345.354 4.521 1 5 EJBFHL