smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(Oc2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000216927484 570309452 /nfs/dbraw/zinc/30/94/52/570309452.db2.gz XCJJODPSTUUAJG-VGOFMYFVSA-N 1 0 392.543 5.109 40 70 GKIBRO CC(C)c1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000218613965 570337717 /nfs/dbraw/zinc/33/77/17/570337717.db2.gz AWQYVTXKJGNOQX-UHFFFAOYSA-N 1 0 378.560 5.159 40 70 GKIBRO C[NH+]1CCC(CC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)CC1 ZINC000216900737 570309179 /nfs/dbraw/zinc/30/91/79/570309179.db2.gz ILBVRXWRRIBJRV-UHFFFAOYSA-N 1 0 388.964 5.303 40 70 GKIBRO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000216943164 570309961 /nfs/dbraw/zinc/30/99/61/570309961.db2.gz HTYGENBDCNGSPV-UHFFFAOYSA-N 1 0 394.559 5.028 40 70 GKIBRO