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(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000748485718 1066284023 /nfs/dbraw/zinc/28/40/23/1066284023.db2.gz BFTATVPOFCFMDE-UHFFFAOYSA-N 2 0 500.003 0.938 20 0 KCADRP