smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000159421547 568295533 /nfs/dbraw/zinc/29/55/33/568295533.db2.gz NDHDXPSBXDNVHD-ZIAGYGMSSA-N 1 0 350.384 4.692 10 70 FJIERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000159421415 568295437 /nfs/dbraw/zinc/29/54/37/568295437.db2.gz NDHDXPSBXDNVHD-KBPBESRZSA-N 1 0 350.384 4.692 10 70 FJIERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000159421705 568295574 /nfs/dbraw/zinc/29/55/74/568295574.db2.gz NDHDXPSBXDNVHD-UONOGXRCSA-N 1 0 350.384 4.692 10 70 FJIERO