smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCN(Cc5ccccc5)CC4)c3)cc21 ZINC000013445038 561713109 /nfs/dbraw/zinc/71/31/09/561713109.db2.gz UWBHJOVXAJRYJM-UHFFFAOYSA-N -1 1 518.530 1.791 1 5 KDBFMM