smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F 100427015 PPPILFLRVCFRFJ-UHFFFAOYSA-N 414.114 3.777 70 30 HHIC COC(=O)C(C(=O)C1CCC1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 97945872 JPRAQSRPVZNRFU-UHFFFAOYSA-N 416.457 3.695 70 30 HHIC O=S(=O)(Cl)c1cc(Br)c(Br)c(Br)c1 238544949 CYHCMIBKUDFFEW-UHFFFAOYSA-N 413.312 3.902 70 30 HHIC in-vitro