smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([O-])cc([O-])c1C(=O)/C=C/C=C/c1ccccc1 ZINC000045339378 175361076 /nfs/dbraw/zinc/36/10/76/175361076.db2.gz UGNPIDGVRWLINW-NXZHAISVSA-N -2 3 296.322 3.559 1 30 CHEFHL CSC1=C(c2ccc([O-])cc2)C(=O)c2ccc([O-])cc21 ZINC000028475393 581100730 /nfs/dbraw/zinc/10/07/30/581100730.db2.gz OVFXCANAVHBWGG-UHFFFAOYSA-N -2 3 284.336 3.525 1 30 CHEFHL