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@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(N)=O ZINC000096933366 208329709 /nfs/dbraw/zinc/32/97/09/208329709.db2.gz AYPNEXRDBZMASE-BSJXLVFVSA-N 0 3 380.413 -0.304 1 10 GBCFHN