smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccccc2S(=O)(=O)F)c(Cl)c1 ZINC000043300563 563119946 /nfs/dbraw/zinc/11/99/46/563119946.db2.gz KIBWWOFNWSHFON-UHFFFAOYSA-N 0 3 439.900 2.763 1 70 IFIFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 ZINC000043300462 563119928 /nfs/dbraw/zinc/11/99/28/563119928.db2.gz JOPCUERNPQCTBV-UHFFFAOYSA-N 0 3 439.900 2.763 1 70 IFIFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2cccc(S(=O)(=O)F)c2)c(Cl)c1 ZINC000043307584 563120054 /nfs/dbraw/zinc/12/00/54/563120054.db2.gz FEEGXWUMIRSYES-UHFFFAOYSA-N 0 3 439.900 2.763 1 70 IFIFHN