smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)c1cc(S(=O)(=O)Cl)ccc1OC(F)(F)C(F)(F)C(F)(F)F 616582098 CDSFPRHPDYVDSP-UHFFFAOYSA-N 402.715 4.907 70 30 HJIC COC(=O)CCC[C@H](C)[C@H]1CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@H]12 97978045 MDZIAFLQFXRYAI-CFAJVAMVSA-N 412.470 4.542 70 30 HJIC COC(=O)CCC[C@H](C)[C@H]1CC[C@]2(C)C(OS(=O)(=O)C(F)(F)F)=CCC[C@@H]12 97978046 MDZIAFLQFXRYAI-LOUJCGABSA-N 412.470 4.542 70 30 HJIC