smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(Cl)c1ccc(O/C(F)=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 111880494 JHPOMBWYTNUPKL-FPLPWBNLSA-N 472.659 5.569 70 30 JKIC O=S(=O)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100374271 CBCLHIUXUOXITK-UHFFFAOYSA-N 496.619 5.319 70 30 JKIC Cc1ccc(C(=O)Nc2ccc(C(=O)CBr)cc2)cc1N(CCCl)CCCl 1842406 JBZCGJYFIJGJEL-UHFFFAOYSA-N 472.210 5.109 70 30 JKIC CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC=C(OS(=O)(=O)C(F)(F)F)[C@@]4(C)CC[C@H]32)C1 97977920 MCIVSCZCJRGEJR-WDPSMDGFSA-N 462.530 5.241 70 30 JKIC in-vitro