smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(CN2CC3(C2)CC[NH2+]CC3)cc1 ZINC000003956258 181102243 /nfs/dbraw/zinc/10/22/43/181102243.db2.gz ZCXAQDRFCRQNOZ-UHFFFAOYSA-N 1 3 241.338 1.744 1 30 BDEFHO CNC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1 ZINC000039203319 173209191 /nfs/dbraw/zinc/20/91/91/173209191.db2.gz FRANGYONAXSDBQ-UHFFFAOYSA-N 1 3 225.683 1.221 1 30 BDEFHO CN(C)C(=[NH2+])NC(=N)Nc1cccc(Cl)c1 ZINC000001654735 172353173 /nfs/dbraw/zinc/35/31/73/172353173.db2.gz OBJLHWGJUFOUGZ-UHFFFAOYSA-N 1 3 239.710 1.563 1 30 BDEFHO