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)N1CC[NH+](C)CC1 ZINC000216858483 488441794 /nfs/dbraw/zinc/44/17/94/488441794.db2.gz QRHUPGLIYVVAHE-UHFFFAOYSA-N 0 2 368.503 0.223 40 70 FCIBLN