smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)[C@H]([NH3+])CCCC[NH3+])O2)c(=O)[nH]c1=O ZINC000071295777 222180438 /nfs/dbraw/zinc/18/04/38/222180438.db2.gz QXRBUCZLBYMSHO-YVECIDJPSA-N 2 1 395.420 -0.189 1 10 GBCFMP