smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+]CCc1cccc2c3ccnc4c5ncsc5cc([nH]c12)c34 ZINC000002384260 210395071 /nfs/dbraw/zinc/39/50/71/210395071.db2.gz FDGUNBRMWVXKQW-UHFFFAOYSA-N 1 2 360.486 5.021 10 5 FKBELO COc1ccc2[nH+]c3ccc(OC)cc3c(SCc3ccccc3)c2c1 ZINC000005582583 207108419 /nfs/dbraw/zinc/10/84/19/207108419.db2.gz XFBACNNHZDSCFW-UHFFFAOYSA-N 1 2 361.466 5.698 10 5 FKBELO O=[N+]([O-])c1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c(Cl)c1 ZINC000039963840 208213855 /nfs/dbraw/zinc/21/38/55/208213855.db2.gz XCLCKPHFKFUBIX-UHFFFAOYSA-N 1 2 367.714 5.559 10 5 FKBELO O=[N+]([O-])c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c(Cl)c1 ZINC000041054860 211768265 /nfs/dbraw/zinc/76/82/65/211768265.db2.gz XOUKSPZNKIIGAW-UHFFFAOYSA-N 1 2 367.714 5.559 10 5 FKBELO