smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)c1ccc(NC2=CC(=O)C(Nc3ccc([NH+](CC)CC)cc3)=CC2=O)cc1 ZINC000001591936 555704942 /nfs/dbraw/zinc/70/49/42/555704942.db2.gz TYOBLOXDFRGHSU-UHFFFAOYSA-N 2 2 432.568 4.823 40 30 IJEBLP