smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000159943428 562849000 /nfs/dbraw/zinc/84/90/00/562849000.db2.gz UTDMNSUKGXNJPL-GYHLDHQBSA-N 1 2 653.224 2.367 3 70 KEIFLO