smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCI 106112097 CQPFPFMRZZXKAJ-UHFFFAOYSA-N 454.048 3.541 70 30 JHIC O=S(=O)(Oc1ccccc1-c1ccccc1OS(=O)(=O)C(F)(F)F)C(F)(F)F 106804927 VAEJFEYIJHDWKE-UHFFFAOYSA-N 450.334 3.810 70 30 JHIC C[Si](C)(C)c1cc(Br)cc(Br)c1OS(=O)(=O)C(F)(F)F 689696796 MTIUFXYVKSIUCH-UHFFFAOYSA-N 456.150 3.985 70 30 JHIC CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 14114286 MTKHCEFATKQYMK-UHFFFAOYSA-N 474.892 3.951 70 30 JHIC