smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features c1ccccccccccccc1 100074371 RYQWRHUSMUEYST-UHFFFAOYSA-N 182.266 3.935 5 1 AHBF in-vitro c1cccc2ccccccc-2cc1 64622640 OVPVGJFDFSJUIG-UHFFFAOYSA-N 180.250 3.916 5 1 AHBF in-vitro