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[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O ZINC000034871750 556584803 /nfs/dbraw/zinc/58/48/03/556584803.db2.gz JQESMPDJSXFGSA-BFHYXJOUSA-N 2 0 440.549 -2.509 50 30 IAEARP CC(C)C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC000255981612 568662810 /nfs/dbraw/zinc/66/28/10/568662810.db2.gz JQESMPDJSXFGSA-MJBXVCDLSA-N 2 0 440.549 -2.509 50 30 IAEARP