smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc[nH+]c(N[C@@H](c2ccccc2Br)c2ccc3cccnc3c2O)c1 ZINC000015015613 558701672 /nfs/dbraw/zinc/70/16/72/558701672.db2.gz AOCUEUORHJVVLF-NRFANRHFSA-N 1 1 420.310 5.608 10 10 HKCEMO Cc1cc[nH+]c(N[C@H](c2ccccc2Br)c2ccc3cccnc3c2O)c1 ZINC000015015614 558701554 /nfs/dbraw/zinc/70/15/54/558701554.db2.gz AOCUEUORHJVVLF-OAQYLSRUSA-N 1 1 420.310 5.608 10 10 HKCEMO