smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)cc2)CC1 ZINC000222597882 557358933 /nfs/dbraw/zinc/35/89/33/557358933.db2.gz DQDOTKJCRFNYSP-JOCHJYFZSA-N 2 1 441.019 3.620 40 10 IHCBMP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)cc2)CC1 ZINC000222597940 557358809 /nfs/dbraw/zinc/35/88/09/557358809.db2.gz DQDOTKJCRFNYSP-QFIPXVFZSA-N 2 1 441.019 3.620 40 10 IHCBMP