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)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CSc1ncccc1[N+](=O)[O-])C(=O)NCC(N)=O ZINC000150345665 571460013 /nfs/dbraw/zinc/46/00/13/571460013.db2.gz RUUXMQHJVXHBGZ-ZCBIBPQVSA-N 0 1 772.886 -1.230 50 5 KABAMN