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](N)CCCC[NH3+])O2)c(=O)[nH]c1=O ZINC000071295777 222180431 /nfs/dbraw/zinc/18/04/31/222180431.db2.gz QXRBUCZLBYMSHO-YVECIDJPSA-N 1 0 395.420 -0.189 1 10 GBCFRO CC(C)[C@H](NC(=O)[C@@H]1[NH2+][C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(N)=O ZINC000096933366 208329702 /nfs/dbraw/zinc/32/97/02/208329702.db2.gz AYPNEXRDBZMASE-BSJXLVFVSA-N 1 0 380.413 -0.304 1 10 GBCFRO