smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=c1cc(OS(=O)(=O)C(F)(F)F)nc2c(OCc3ccccc3)cccn12 2265384646 DONYKCOEFLUZMO-UHFFFAOYSA-N 400.334 2.502 70 30 HFIC CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Cl)ccc3OCC)nn12 72399813 ITOAVBRRRCBWLU-UHFFFAOYSA-N 410.883 2.672 70 30 HFIC in-vitro