smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000584605065 483283639 /nfs/dbraw/zinc/28/36/39/483283639.db2.gz YYUFRFQOCUREOT-ZPFDUUQYSA-N 1 3 372.470 -2.181 10 0 FAAEHO