smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])ccc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000252617960 563918147 /nfs/dbraw/zinc/91/81/47/563918147.db2.gz LCLSMAJKSPWHCE-UHFFFAOYSA-N -2 0 324.163 4.456 50 30 DIEARL CCCCCCCCOc1ccc([C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000002279275 563921098 /nfs/dbraw/zinc/92/10/98/563921098.db2.gz OFQLLKKUSIZCIE-INIZCTEOSA-N -2 0 322.401 4.069 50 30 DIEARL O=C([O-])c1ccccc1/C=C/C(=O)c1c([O-])ccc2ccccc21 ZINC000004759497 181148869 /nfs/dbraw/zinc/14/88/69/181148869.db2.gz HQLOCHSVRCUAMH-ZRDIBKRKSA-N -2 0 318.328 4.140 50 30 DIEARL CCCCCCCCOc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000002279274 180917540 /nfs/dbraw/zinc/91/75/40/180917540.db2.gz OFQLLKKUSIZCIE-MRXNPFEDSA-N -2 0 322.401 4.069 50 30 DIEARL