smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@@H](O)[C@H]1O)c1cc(S(=O)(=O)F)ccc1O 1085203755 YCULAAWNENRVCH-PYJNHQTQSA-N 446.365 -1.211 70 1 IAIF O=C(OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@H](O)[C@H]1O)c1cc(S(=O)(=O)F)ccc1O 1085203753 YCULAAWNENRVCH-DEQVHRJGSA-N 446.365 -1.211 70 1 IAIF O=C(OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O)c1cc(S(=O)(=O)F)ccc1O 1085203752 YCULAAWNENRVCH-ASEORRQLSA-N 446.365 -1.211 70 1 IAIF O=C(OC[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O)c1cc(S(=O)(=O)F)ccc1O 1085203754 YCULAAWNENRVCH-GHYVTOPFSA-N 446.365 -1.211 70 1 IAIF