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](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O ZINC000034871750 556584807 /nfs/dbraw/zinc/58/48/07/556584807.db2.gz JQESMPDJSXFGSA-BFHYXJOUSA-N 1 3 440.549 -2.509 50 30 IAEAHO CC(C)C[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC000255981612 568662815 /nfs/dbraw/zinc/66/28/15/568662815.db2.gz JQESMPDJSXFGSA-MJBXVCDLSA-N 1 3 440.549 -2.509 50 30 IAEAHO