smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)NCC[NH+](C)C)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216858483 488441791 /nfs/dbraw/zinc/44/17/91/488441791.db2.gz QRHUPGLIYVVAHE-UHFFFAOYSA-N 2 0 368.503 0.223 40 70 FCIBRP