SI

Reference Set (49 Compounds)

OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O ZINC000001636704

ZINC000001636704 (search)

CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000013719785

ZINC000013719785 (search)

CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000003794711

ZINC000003794711 (search)

OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000004097426

ZINC000004097426 (search)

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 ZINC000033989734

ZINC000033989734 (search)

OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O ZINC000003794714

ZINC000003794714 (search)

OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 ZINC000049089776

ZINC000049089776 (search)

OC[C@@]1(O)C[C@H](NCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299818404

ZINC000299818404 (search)

OC[C@@]1(O)C[C@H](NC[C@H](O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O ZINC000096922730

ZINC000096922730 (search)

OC[C@@]1(O)C[C@H](NCc2cccs2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299818364

ZINC000299818364 (search)

OCN(CO)[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299818318

ZINC000299818318 (search)

OC[C@@]1(O)C[C@H](N[C@@H]2CCCC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299818427

ZINC000299818427 (search)

OC[C@H](N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 ZINC000096922729

ZINC000096922729 (search)

CC(C)(C)c1cc(CN[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1O ZINC000299818308

ZINC000299818308 (search)

C[C@H]1C[C@H](N)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000084687400

ZINC000084687400 (search)

OC[C@@]1(O)C[C@H](NCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299818313

ZINC000299818313 (search)

CO[C@H]1O[C@H](C)[C@@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000084712776

ZINC000084712776 (search)

CC(C)=CCC/C(C)=C/CN[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299818328

ZINC000299818328 (search)

OC[C@@]1(O)C[C@H](NC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299818397

ZINC000299818397 (search)

OC[C@@]1(O)C[C@H](NCc2cccnc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299818372

ZINC000299818372 (search)

OC[C@@]1(O)C[C@H](NCc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299818408

ZINC000299818408 (search)

OC[C@@]1(O)C[C@H](NC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299818477

ZINC000299818477 (search)

C[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000084727955

ZINC000084727955 (search)

C[C@H]1C[C@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000084687401

ZINC000084687401 (search)

N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000005157081

ZINC000005157081 (search)

CO[C@H]1O[C@H](CO)[C@@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000084727953

ZINC000084727953 (search)

OC[C@@]1(O)C[C@H](N[C@H]2CCCC[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299818429

ZINC000299818429 (search)

OCC(CO)N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035963200

ZINC000035963200 (search)

OCC1=C[C@H](NC(CO)CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000201997102

ZINC000201997102 (search)

OC[C@@]1(O)C[C@H](NC[C@@H](O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O ZINC000096922731

ZINC000096922731 (search)

CO[C@H]1O[C@H](CO)[C@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000084687145

ZINC000084687145 (search)

CO[C@H]1O[C@H](C)[C@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000084687146

ZINC000084687146 (search)

OC[C@@H](N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 ZINC000096922543

ZINC000096922543 (search)

CO[C@H]1O[C@H](CO)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000084687402

ZINC000084687402 (search)

CO[C@H]1O[C@H](CO)[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000084723690

ZINC000084723690 (search)

C[C@H]1C[C@H](N)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000084723686

ZINC000084723686 (search)

N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000005850992

ZINC000005850992 (search)

CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO ZINC000071787443

ZINC000071787443 (search)

OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO ZINC000071787441

ZINC000071787441 (search)

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cccc(-c2ccccc2)c1 ZINC000299832599

ZINC000299832599 (search)

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccccc1-c1ccccc1 ZINC000299835624

ZINC000299835624 (search)

C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(-c2ccccc2)cc1 ZINC000299819797

ZINC000299819797 (search)

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1F ZINC000299819889

ZINC000299819889 (search)

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1 ZINC000299820918

ZINC000299820918 (search)

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(F)c1 ZINC000299820844

ZINC000299820844 (search)

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC(F)(F)COCc1ccc(-c2ccccc2)cc1 ZINC000299821809

ZINC000299821809 (search)

C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(-c2ccccc2)cc1 ZINC000299819786

ZINC000299819786 (search)

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(C(F)(F)F)c1 ZINC000299821049

ZINC000299821049 (search)

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1C(F)(F)F ZINC000299819892

ZINC000299819892 (search)