smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCN(C(=[NH2+])NC(N)=[NH2+])CC2)=C([O-])[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@H]3C[C@@H]12 ZINC000040163318 554282424 /nfs/dbraw/zinc/28/24/24/554282424.db2.gz DIRJDIBCAHCCFL-XAVKADPMSA-N 0 3 626.671 -1.591 40 30 KAEBHN