smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(CC)CCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000006424763 563567939 /nfs/dbraw/zinc/56/79/39/563567939.db2.gz FABIYRACYXJOSC-OAHLLOKOSA-N 2 1 334.915 4.955 40 5 EJBBMP CC[N+](C)(CC)CCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001712475 563406120 /nfs/dbraw/zinc/40/61/20/563406120.db2.gz FABIYRACYXJOSC-HNNXBMFYSA-N 2 1 334.915 4.955 40 5 EJBBMP CC[NH+](CC)CC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1 ZINC000001582339 563394367 /nfs/dbraw/zinc/39/43/67/563394367.db2.gz YTUYANZCGUYXHF-UHFFFAOYSA-O 2 1 346.498 4.720 40 5 in-vitro EJBBMP