smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1nnc(-c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)nn1 1857791881 REVQAJYVXWMUAG-UHFFFAOYSA-N 778.725 3.445 70 30 KGIC