smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)c1ccc(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1 142205942 HYTOZNATTYIITR-UHFFFAOYSA-N 360.309 3.369 70 30 FGIC COc1ccc(Br)c(S(=O)(=O)Cl)c1Br 1536221794 CQGHSNWGUXRZEW-UHFFFAOYSA-N 364.442 3.148 70 30 FGIC O=C(NCCS(=O)(=O)Cl)OCC1c2ccccc2-c2ccccc21 103582063 CZYCFUHNECALIP-UHFFFAOYSA-N 365.838 3.094 70 30 FGIC COc1cc(Br)c(S(=O)(=O)Cl)cc1Br 1536220434 IKLHTRGEYKAJSA-UHFFFAOYSA-N 364.442 3.148 70 30 FGIC CC(C)(C)OC(=O)N[C@@]1(C)CC=C(OS(=O)(=O)C(F)(F)F)CC1 725262423 QZNLGPHGFVVJRW-LBPRGKRZSA-N 359.366 3.204 70 30 FGIC O=S(=O)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 100427186 SUYQQGZHVVTMNY-UHFFFAOYSA-N 364.107 3.142 70 30 FGIC O=C(OCc1ccccc1)N1CC[C@@]2(CS(=O)(=O)Cl)CCC[C@@H]12 725242688 VHFIRLXXHZABQO-GDBMZVCRSA-N 357.859 3.136 70 30 FGIC CC(C)(C)OC(=O)N1CCC(c2csc(NC(=O)CCl)n2)CC1 44601944 KAOQFNPPWHVAPH-UHFFFAOYSA-N 359.879 3.435 70 30 FGIC CC(C)(C)OC(=O)N[C@]1(C)CC=C(OS(=O)(=O)C(F)(F)F)CC1 725262422 QZNLGPHGFVVJRW-GFCCVEGCSA-N 359.366 3.204 70 30 FGIC