TAB1

Reference Set (112 Compounds)

CC(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 ZINC000211548315

ZINC000211548315 (search)

CC[C@@H](C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 ZINC000208094464

ZINC000208094464 (search)

CC(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 ZINC000208094568

ZINC000208094568 (search)

CC(C)(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 ZINC000208102755

ZINC000208102755 (search)

CC(C)COc1ncnc2[nH]cc(C#CC(N)=O)c12 ZINC000208110970

ZINC000208110970 (search)

CC(C)(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 ZINC000208118875

ZINC000208118875 (search)

NC(=O)/C=C/c1c[nH]c2ncnc(OC3CCC(F)(F)CC3)c12 ZINC000208102823

ZINC000208102823 (search)

CCCOc1ncnc2[nH]cc(/C=C/C(N)=O)c12 ZINC000208102645

ZINC000208102645 (search)

NC(=O)/C=C/c1c[nH]c2ncnc(OCC(F)(F)F)c12 ZINC000208102702

ZINC000208102702 (search)

CNC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 ZINC000208110633

ZINC000208110633 (search)

NC(=O)/C=C/c1c[nH]c2ncnc(OCc3cccc(F)c3)c12 ZINC000208118813

ZINC000208118813 (search)

CC(C)(O)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 ZINC000208118761

ZINC000208118761 (search)

CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)N(C)C)c12 ZINC000208110806

ZINC000208110806 (search)

CC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 ZINC000208110917

ZINC000208110917 (search)

CC(C)COc1ncnc2[nH]cc(/C=C\C#N)c12 ZINC000208110862

ZINC000208110862 (search)

NC(=O)/C=C/c1c[nH]c2ncnc(Oc3ccccc3)c12 ZINC000208118698

ZINC000208118698 (search)

CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NC3CC3)c12 ZINC000208110745

ZINC000208110745 (search)

COC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 ZINC001772641609

ZINC001772641609 (search)

CCC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 ZINC001772645447

ZINC001772645447 (search)

CC(C)COc1ncnc2[nH]cc(/C=C/C#N)c12 ZINC001772646459

ZINC001772646459 (search)

CC(C)COc1ncnc2[nH]cc(C(=O)CCl)c12 ZINC001772647740

ZINC001772647740 (search)

N#C/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 ZINC001772649741

ZINC001772649741 (search)

CCNC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 ZINC000208110685

ZINC000208110685 (search)

CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)O)c12 ZINC001772569864

ZINC001772569864 (search)

COC(=O)/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 ZINC001772604468

ZINC001772604468 (search)

CC(C)COc1ncnc2[nH]cc(/C=C(\Cl)C(N)=O)c12 ZINC001772622296

ZINC001772622296 (search)

CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NCC3CC3)c12 ZINC001772581774

ZINC001772581774 (search)

CC(C)COc1ncnc2[nH]cc(C/C=C/C(N)=O)c12 ZINC000218658144

ZINC000218658144 (search)

COC(=O)/C(C)=C/c1c[nH]c2ncnc(OCC(C)C)c12 ZINC001772607135

ZINC001772607135 (search)

CC(C)COc1ncnc2[nH]cc(C#N)c12 ZINC001772639923

ZINC001772639923 (search)

NC(=O)/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 ZINC001772586837

ZINC001772586837 (search)

C=C(C#N)c1c[nH]c2ncnc(OCC(C)C)c12 ZINC001772588429

ZINC001772588429 (search)

CC(C)COc1ncnc2[nH]cc(/C=C(\F)C(N)=O)c12 ZINC001772636263

ZINC001772636263 (search)

CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NC[C@H](C)O)c12 ZINC001772612614

ZINC001772612614 (search)

CC(=O)c1c[nH]c2ncnc(OCC(C)C)c12 ZINC000584613440

ZINC000584613440 (search)

CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NC[C@@H](C)O)c12 ZINC001772580052

ZINC001772580052 (search)

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000003814434

ZINC000003814434 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6nnsc56)cc34)cn2)CC1 ZINC000072316188

ZINC000072316188 (search)

Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2cc(-c3cccc4nnsc34)oc12 ZINC000261181534

ZINC000261181534 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6ncsc56)cc34)cn2)CC1 ZINC000096274090

ZINC000096274090 (search)

Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(C(F)F)c(-c3cccc4nnsc34)oc12 ZINC000261086457

ZINC000261086457 (search)

Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(CF)c(-c3cccc4nnsc34)oc12 ZINC000261178401

ZINC000261178401 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cn(C)c6cnccc56)cc34)cn2)CC1 ZINC000096274087

ZINC000096274087 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6cnsc56)cc34)cn2)CC1 ZINC000072316189

ZINC000072316189 (search)

Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(Cl)c(-c3cccc4nnsc34)oc12 ZINC000261117071

ZINC000261117071 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5csc6cnccc56)cc34)cn2)CC1 ZINC000096274089

ZINC000096274089 (search)

Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(-c3cncs3)c(-c3cccc4nnsc34)oc12 ZINC000261161073

ZINC000261161073 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(O)c5)cc34)cn2)CC1 ZINC000096274079

ZINC000096274079 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc([N+](=O)[O-])c5)cc34)cn2)CC1 ZINC000096274088

ZINC000096274088 (search)

Nc1ncc(-c2cnn([C@H]3CC[C@H](O)CC3)c2)c2c(-c3cccnc3)c(-c3cccc4nnsc34)oc12 ZINC000261134283

ZINC000261134283 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cn[nH]c5)cc34)cn2)CC1 ZINC000096274037

ZINC000096274037 (search)

Cn1cc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)cn1 ZINC000096282220

ZINC000096282220 (search)

N#Cc1c(-c2cccc3nnsc23)oc2c(N)ncc(-c3cnn([C@H]4CC[C@H](O)CC4)c3)c12 ZINC000261165420

ZINC000261165420 (search)

Cc1ncc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)s1 ZINC000096282229

ZINC000096282229 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5CC#N)cc34)cn2)CC1 ZINC000096274080

ZINC000096274080 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C#N)c5)cc34)cn2)CC1 ZINC000096274086

ZINC000096274086 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(O)cc5)cc34)cn2)CC1 ZINC000096274081

ZINC000096274081 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5csc6ccccc56)cc34)cn2)CC1 ZINC000096274085

ZINC000096274085 (search)

CSc1ccccc1-c1cc2c(-c3cnn(C4CCN(C(C)=O)CC4)c3)cnc(N)c2o1 ZINC000096274082

ZINC000096274082 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5=CCCCC5)cc34)cn2)CC1 ZINC000096274084

ZINC000096274084 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccsc5)cc34)cn2)CC1 ZINC000096274083

ZINC000096274083 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C(N)=O)c5)cc34)cn2)CC1 ZINC000096274049

ZINC000096274049 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5C#N)cc34)cn2)CC1 ZINC000096274064

ZINC000096274064 (search)

Nc1ncc(-c2ccoc2)c2cc(-c3csc4cnccc34)oc12 ZINC000096282228

ZINC000096282228 (search)

COc1nn(C)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12 ZINC000096282215

ZINC000096282215 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5CCCCC5)cc34)cn2)CC1 ZINC000096274078

ZINC000096274078 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccnc5)cc34)cn2)CC1 ZINC000096274077

ZINC000096274077 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5CO)cc34)cn2)CC1 ZINC000096274066

ZINC000096274066 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(N)c5)cc34)cn2)CC1 ZINC000096274076

ZINC000096274076 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(CN)c5)cc34)cn2)CC1 ZINC000096274046

ZINC000096274046 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5=CCNCC5)cc34)cn2)CC1 ZINC000096274075

ZINC000096274075 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(CO)c5)cc34)cn2)CC1 ZINC000096274074

ZINC000096274074 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnsc5)cc34)cn2)CC1 ZINC000096274073

ZINC000096274073 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6ccccc56)cc34)cn2)CC1 ZINC000096274069

ZINC000096274069 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5)cc34)cn2)CC1 ZINC000096274072

ZINC000096274072 (search)

Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3cccc4ccsc34)oc12 ZINC000095920804

ZINC000095920804 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnco5)cc34)cn2)CC1 ZINC000096274070

ZINC000096274070 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5=CCCC5)cc34)cn2)CC1 ZINC000096274071

ZINC000096274071 (search)

COCc1ccccc1-c1cc2c(-c3cnn(C4CCN(C(C)=O)CC4)c3)cnc(N)c2o1 ZINC000096274059

ZINC000096274059 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnc6cnccn56)cc34)cn2)CC1 ZINC000096274067

ZINC000096274067 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(S(=O)(=O)N(C)C)c5)cc34)cn2)CC1 ZINC000096274068

ZINC000096274068 (search)

Nc1ncc(-c2cscn2)c2cc(-c3csc4cnccc34)oc12 ZINC000096282227

ZINC000096282227 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(CC#N)cc5)cc34)cn2)CC1 ZINC000096274057

ZINC000096274057 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cnn(C)c5)cc34)cn2)CC1 ZINC000096274065

ZINC000096274065 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(N)cc5)cc34)cn2)CC1 ZINC000096274061

ZINC000096274061 (search)

COc1cccc(-c2cc3c(-c4cnn(C5CCN(C(C)=O)CC5)c4)cnc(N)c3o2)c1 ZINC000096274062

ZINC000096274062 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(S(N)(=O)=O)c5)cc34)cn2)CC1 ZINC000096274063

ZINC000096274063 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5CCCC5)cc34)cn2)CC1 ZINC000096274055

ZINC000096274055 (search)

Cc1ccc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)o1 ZINC000096282223

ZINC000096282223 (search)

Nc1ncc(-c2ccsc2)c2cc(-c3csc4cnccc34)oc12 ZINC000096282222

ZINC000096282222 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(N(C)C)c5)cc34)cn2)CC1 ZINC000096274053

ZINC000096274053 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(C#N)cc5)cc34)cn2)CC1 ZINC000096274050

ZINC000096274050 (search)

Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccccc3)oc12 ZINC000096274091

ZINC000096274091 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(CO)cc5)cc34)cn2)CC1 ZINC000096274044

ZINC000096274044 (search)

CC(=O)c1cccc(-c2cc3c(-c4cnn(C5CCN(C(C)=O)CC5)c4)cnc(N)c3o2)c1 ZINC000096274051

ZINC000096274051 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(C(F)(F)F)c5)cc34)cn2)CC1 ZINC000096274052

ZINC000096274052 (search)

COCC#Cc1cnc(N)c2oc(-c3csc4cnccc34)cc12 ZINC000096282221

ZINC000096282221 (search)

CC(=O)Nc1cccc(-c2cc3c(-c4cnn(C5CCN(C(C)=O)CC5)c4)cnc(N)c3o2)c1 ZINC000096274038

ZINC000096274038 (search)

COCCOc1cccc(-c2cc3c(-c4cnn(C5CCN(C(C)=O)CC5)c4)cnc(N)c3o2)c1 ZINC000096274048

ZINC000096274048 (search)

Nc1ncc(-c2ccccc2)c2cc(-c3csc4cnccc34)oc12 ZINC000096282219

ZINC000096282219 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(OC(F)(F)F)cc5)cc34)cn2)CC1 ZINC000096274039

ZINC000096274039 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(OC(F)(F)F)c5)cc34)cn2)CC1 ZINC000096274047

ZINC000096274047 (search)

Cc1nn(C)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12 ZINC000096282216

ZINC000096282216 (search)

Nc1ncc(-c2cccnc2)c2cc(-c3csc4cnccc34)oc12 ZINC000096282218

ZINC000096282218 (search)

Cc1c(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)cnn1C ZINC000096282210

ZINC000096282210 (search)

CSc1cccc(-c2cc3c(-c4cnn(C5CCN(C(C)=O)CC5)c4)cnc(N)c3o2)c1 ZINC000096274045

ZINC000096274045 (search)

Cc1ccc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)s1 ZINC000096282214

ZINC000096282214 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccc(NS(C)(=O)=O)cc5)cc34)cn2)CC1 ZINC000096274042

ZINC000096274042 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(S(C)(=O)=O)c5)cc34)cn2)CC1 ZINC000096274043

ZINC000096274043 (search)

Cn1ccc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)c1 ZINC000096282213

ZINC000096282213 (search)

CC(=O)c1ccccc1-c1cc2c(-c3cnn(C4CCN(C(C)=O)CC4)c3)cnc(N)c2o1 ZINC000096274041

ZINC000096274041 (search)

CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5C(N)=O)cc34)cn2)CC1 ZINC000096274040

ZINC000096274040 (search)