Compound Name

SMILES String

O\N=C(\Nc1ccc(F)c(Br)c1)c1nonc1NCCCc1nnc(NC(=O)Cc2ccc(O)cc2)s1

Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O

Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O

Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

O=C1c2ccccc2Cc2ccccc12

Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12

c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O

OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|

c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O

COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1

C[C@@H]1O[C@@H](Oc2cc(O)c3C(=O)c4c(O)cc(C)cc4C(=O)c3c2)[C@H](O)[C@H](O)[C@H]1O |r|

Cc1cc(O)c2C(=O)c3c(O)cc(O)c(c3C(=O)c2c1)-c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c12 |r,wU:30.33,25.28,23.25,wD:32.36,28.31,(-.47,-40.27,;.87,-41.03,;.87,-42.57,;2.19,-43.34,;2.19,-44.88,;3.52,-42.57,;4.84,-43.34,;4.84,-44.88,;6.15,-42.58,;7.48,-43.37,;7.48,-44.91,;8.83,-42.59,;8.83,-41.05,;10.27,-40.52,;7.49,-40.3,;6.16,-41.04,;4.84,-40.28,;4.84,-38.74,;3.51,-41.04,;2.19,-40.29,;7.54,-38.01,;6.21,-37.25,;4.87,-38.01,;3.54,-37.25,;3.54,-35.71,;2.21,-34.93,;2.21,-33.39,;.88,-32.62,;.88,-35.7,;-.47,-34.91,;.87,-37.24,;-.46,-38,;2.2,-38.01,;2.2,-39.55,;6.21,-35.71,;7.54,-34.93,;7.54,-33.39,;8.88,-35.7,;10.21,-34.9,;10.21,-33.36,;11.56,-35.69,;12.9,-34.9,;12.9,-33.36,;14.25,-35.67,;14.26,-37.22,;15.6,-37.99,;12.92,-38,;11.57,-37.24,;10.22,-38.02,;10.22,-39.56,;8.88,-37.25,)|

[H][C@@]1(c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O

[O-]C(=O)C1(CCC1)C([O-])=O