COMT

Reference Set (59 Compounds)

Cc1nc(C)c(-c2cc[nH]n2)s1 ZINC000000141259

ZINC000000141259 (search)

Cc1nn(C)cc1-c1cc[nH]n1 ZINC000004243627

ZINC000004243627 (search)

Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1 ZINC000034602275

ZINC000034602275 (search)

O=C(O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000034845173

ZINC000034845173 (search)

CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000035342787

ZINC000035342787 (search)

Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 ZINC000035342789

ZINC000035342789 (search)

O=c1cc(CO)n(-c2ccccc2)cc1O ZINC000039233991

ZINC000039233991 (search)

CCCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049066838

ZINC000049066838 (search)

O=C(OCc1ccccc1)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049068034

ZINC000049068034 (search)

CC(C)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049068036

ZINC000049068036 (search)

CC(C)C(=O)O[C@@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049068038

ZINC000049068038 (search)

CCCC(=O)O[C@@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049073039

ZINC000049073039 (search)

O=C(OCc1coc(=O)o1)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049073043

ZINC000049073043 (search)

CC(C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049112311

ZINC000049112311 (search)

COC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049112351

ZINC000049112351 (search)

CCCC(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049114066

ZINC000049114066 (search)

CCCCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049114239

ZINC000049114239 (search)

CC(C)[C@H](N)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049116375

ZINC000049116375 (search)

O=c1ccn(-c2cccc(-c3ccccc3)n2)cc1O ZINC000118888500

ZINC000118888500 (search)

O=c1[nH]c(-c2cccc(C#Cc3ccccc3)c2)ncc1O ZINC000118889170

ZINC000118889170 (search)

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)ncc1O ZINC000118889795

ZINC000118889795 (search)

COc1ccc(Oc2cccc(-c3ncc(O)c(=O)n3C)c2)cc1 ZINC000118895617

ZINC000118895617 (search)

C[C@@H](O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 ZINC000118900997

ZINC000118900997 (search)

O=c1ccn(-c2cccc(-c3ccccc3)c2)cc1O ZINC000144182227

ZINC000144182227 (search)

Cc1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 ZINC000144575093

ZINC000144575093 (search)

O=c1cc(-c2ccccc2)n(-c2cccc(-c3ccccc3)c2)cc1O ZINC000144991104

ZINC000144991104 (search)

Cn1c(-c2ccc(Cl)c(C(F)(F)F)c2)ncc(O)c1=O ZINC000145028159

ZINC000145028159 (search)

O=c1ccn(-c2cc(-c3ccccc3)ccn2)cc1O ZINC000145060860

ZINC000145060860 (search)

Cn1c(-c2cccc(-c3ccccc3)c2)ncc(O)c1=O ZINC000148067150

ZINC000148067150 (search)

O=c1ccn(-c2cc(-c3ccc(Cl)c(Cl)c3)ccn2)cc1O ZINC000149855317

ZINC000149855317 (search)

O=c1ccn(-c2ccnc(-c3ccccc3)n2)cc1O ZINC000150065203

ZINC000150065203 (search)

Cc1cc(C)cc(-n2cc(O)c(=O)cc2CO)c1 ZINC000150089966

ZINC000150089966 (search)

CC(C)(C)c1nc(-c2ccnc(-n3ccc(=O)c(O)c3)c2)cs1 ZINC000150179779

ZINC000150179779 (search)

CC(C)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 ZINC000150202889

ZINC000150202889 (search)

O=c1ccn(-c2ccccc2)cc1O ZINC000150231905

ZINC000150231905 (search)

O=c1ccn(-c2cc(-c3cccc(C(F)(F)F)n3)ccn2)cc1O ZINC000221456785

ZINC000221456785 (search)

O=c1ccn(-c2nccc(-c3ccccc3)c2F)cc1O ZINC000221465913

ZINC000221465913 (search)

Cc1cc(C)cc(-n2ccc(=O)c(O)c2C)c1 ZINC000299857079

ZINC000299857079 (search)

O=c1[nH]c(-c2cccs2)ncc1O ZINC000299857114

ZINC000299857114 (search)

CCC[C@H](O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 ZINC000299858251

ZINC000299858251 (search)

CC(C)[C@H](O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 ZINC000299863036

ZINC000299863036 (search)

COc1ccc(-c2cc(O)c(=O)n(C)c2-c2ccncc2)cc1 ZINC000299863336

ZINC000299863336 (search)

Cc1ccc(-n2cc(O)c(=O)cc2CO)cc1 ZINC000299864324

ZINC000299864324 (search)

CCCCc1ccc(-n2cc(O)c(=O)cc2CO)cc1 ZINC000299864619

ZINC000299864619 (search)

Cc1ccc(-n2cc(O)c(=O)cc2CO)c(C)c1 ZINC000299864635

ZINC000299864635 (search)

O=c1cc(CO)n(-c2ccc(-c3ccccc3)cc2)cc1O ZINC000299866151

ZINC000299866151 (search)

O=c1cc2n(cc1O)-c1ccccc1SC2 ZINC000299866412

ZINC000299866412 (search)

O=c1cc([C@@H](O)c2ccccc2)n(-c2cccc(-c3ccccc3)c2)cc1O ZINC000299870614

ZINC000299870614 (search)

O=c1cc(CO)n(CCCc2ccccc2)cc1O ZINC000299871735

ZINC000299871735 (search)

O=c1cc(CO)n(-c2cccc(-c3ccccc3)c2)cc1O ZINC000299872070

ZINC000299872070 (search)

O=c1ccn(-c2ccnc(-c3ccccc3)c2)cc1O ZINC000653845458

ZINC000653845458 (search)

Cc1cn2nc(-n3ccc(=O)c(O)c3)ccc2n1 ZINC000653853961

ZINC000653853961 (search)

O=c1ccn(-c2nccc3ccccc23)cc1O ZINC000653854373

ZINC000653854373 (search)

O=c1ccn(-c2cc(-c3cccnc3)ccn2)cc1O ZINC000653856824

ZINC000653856824 (search)

O=c1ccn(-c2cc(-c3ccncc3)ccn2)cc1O ZINC000653856873

ZINC000653856873 (search)

O=c1ccn(-c2cc(-c3ccccn3)ccn2)cc1O ZINC000653856875

ZINC000653856875 (search)

O=c1ccn(-c2cc(-c3cnn(Cc4ccccc4)c3)ccn2)cc1O ZINC000653856881

ZINC000653856881 (search)

CCN1C(=O)S/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)C1=O ZINC000653876686

ZINC000653876686 (search)

CCN(CC)C(=O)c1cc2cc(O)c(O)c([N+](=O)[O-])c2cc1C(=O)N(CC)CC ZINC000653876721

ZINC000653876721 (search)