smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000098043688 521213300 /nfs/dbraw/zinc/21/33/00/521213300.db2.gz XPMYDYSYRCLZEG-BBWFWOEESA-N 2 0 433.557 -0.745 10 30 IBEERP CCCC[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000256011569 569258902 /nfs/dbraw/zinc/25/89/02/569258902.db2.gz XPMYDYSYRCLZEG-GVDBMIGSSA-N 2 0 433.557 -0.745 10 30 IBEERP CCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000256011570 569258912 /nfs/dbraw/zinc/25/89/12/569258912.db2.gz XPMYDYSYRCLZEG-YESZJQIVSA-N 2 0 433.557 -0.745 10 30 IBEERP