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)COC[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccco1 ZINC000101596931 1083017901 /nfs/dbraw/zinc/01/79/01/1083017901.db2.gz OGSQGHXHAZVYIE-OAHLLOKOSA-N -1 2 368.271 4.251 20 10 FICDLM CC(C)(C)OC(=O)Nc1ccnc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000895760868 1093706673 /nfs/dbraw/zinc/70/66/73/1093706673.db2.gz KAWXYZRNTJUZQF-UHFFFAOYSA-N -1 2 363.845 4.077 20 10 FICDLM