smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(/C=[NH+]/CCCCCC/[NH+]=C/c2ccc(NC(C)=O)cc2)cc1 ZINC000018023230 558829650 /nfs/dbraw/zinc/82/96/50/558829650.db2.gz KKQWUJAYALCWRR-RPCRKUJJSA-N 2 0 406.530 4.702 40 30 HJEBRP CC(=O)Nc1ccc(/C=[NH+]/CCCCCC/[NH+]=C\c2ccc(NC(C)=O)cc2)cc1 ZINC000104063775 559157629 /nfs/dbraw/zinc/15/76/29/559157629.db2.gz KKQWUJAYALCWRR-WTHRLWDASA-N 2 0 406.530 4.702 40 30 HJEBRP