smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@](C=O)(CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000027442823 563042449 /nfs/dbraw/zinc/04/24/49/563042449.db2.gz AUQDSRLBJBDQCK-SPEDKVCISA-N 2 1 428.537 -0.181 1 30 IBEFMP CC(=NNC(=N)N)c1cc(NC(=O)CCCCNC(N)=[NH2+])cc(C(C)=NNC(N)=[NH2+])c1 ZINC000066259693 563160568 /nfs/dbraw/zinc/16/05/68/563160568.db2.gz ZRGFUKNZBQIRDT-ILLNUACUSA-N 2 1 430.521 -0.307 1 30 IBEFMP