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(CCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 ZINC000043300439 563119938 /nfs/dbraw/zinc/11/99/38/563119938.db2.gz DRXFUCPIPWOMGU-UHFFFAOYSA-N 0 0 437.928 2.969 1 70 IFIFRN N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(OS(=O)(=O)C(F)(F)F)ccc41)[C@@H]32 ZINC000049763020 563139351 /nfs/dbraw/zinc/13/93/51/563139351.db2.gz ROKPDZITFVOBPM-BRWVUGGUSA-N 0 0 443.399 2.668 1 70 IFIFRN