Reference Set (100 Compounds)

Clc1ccc([C@@H]2C[C@H]3CC[C@H]2N3)cn1 ZINC000100060465

ZINC000100060465 (search)

COc1cc(O)ccc1/C=C1\CCCN=C1c1cccnc1 ZINC000040950313

ZINC000040950313 (search)

Nc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1 ZINC000035875032

ZINC000035875032 (search)

Oc1ccc(/C=C2\CCCN=C2c2cccnc2)c(O)c1 ZINC000049803921

ZINC000049803921 (search)

OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 ZINC000068203255

ZINC000068203255 (search)

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 ZINC000064540331

ZINC000064540331 (search)

N=C1SCCN1Cc1ccc(Cl)nc1 ZINC000004393398

ZINC000004393398 (search)

NC1=NCCN1Cc1ccc(Cl)nc1 ZINC000013474371

ZINC000013474371 (search)

O=C(Nc1ccc(Br)cc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 ZINC000035848697

ZINC000035848697 (search)

COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC)c1 ZINC000000000860

ZINC000000000860 (search)

c1ccc(CCCN2CCCN(c3cccnc3)CC2)cc1 ZINC000473090586

ZINC000473090586 (search)

CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 ZINC000084635414

ZINC000084635414 (search)

C[N@+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 ZINC000254136511

ZINC000254136511 (search)

C[N@@+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2 ZINC000254135440

ZINC000254135440 (search)

C[C@H](CCOc1nccn1C)N(C)C ZINC000095594541

ZINC000095594541 (search)

O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 ZINC000038223732

ZINC000038223732 (search)

CN1CCC[C@H]1c1cccnc1 ZINC000000391812

ZINC000000391812 (search)

C[N+]1(C)[C@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 ZINC000100202037

ZINC000100202037 (search)

C[C@H](CCOC(=O)N(C)C)N(C)C ZINC000001890678

ZINC000001890678 (search)

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 ZINC000101644896

ZINC000101644896 (search)

O=[N+]([O-])/C=C1\NCCN1Cc1ccc(Cl)nc1 ZINC000012733297

ZINC000012733297 (search)

Fc1ccc(F)c(NN=C2CCN(CCc3ccccc3)CC2)c1 ZINC000169321974

ZINC000169321974 (search)

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(Br)cc1 ZINC000038268244

ZINC000038268244 (search)

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1cccc(O)c1)c1ccccc1 ZINC000101644930

ZINC000101644930 (search)

c1ccc(CCN2[C@H]3CC[C@@H]2C[C@H](OC2c4ccccc4CCc4ccccc42)C3)cc1 ZINC000101644955

ZINC000101644955 (search)

c1ccc(CN2[C@H]3CC[C@H]2CC(OC2c4ccccc4CCc4ccccc42)C3)cc1 ZINC000101213022

ZINC000101213022 (search)

CN1[C@H]2CC[C@H]1CC(OC(=O)COC1c3ccccc3CCc3ccccc31)C2 ZINC000101631215

ZINC000101631215 (search)

C[N@@+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 ZINC000254120913

ZINC000254120913 (search)

Cc1ccc2c(c1)[C@@H](OC1C[C@@H]3CC[C@H](C1)N3C)c1ccccc1CC2 ZINC000003636009

ZINC000003636009 (search)

CCN1[C@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 ZINC000101513050

ZINC000101513050 (search)

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1 ZINC000064541067

ZINC000064541067 (search)

c1ccc(CN2CCCN(c3cccnc3)CC2)cc1 ZINC000149599089

ZINC000149599089 (search)

c1ccc(Sc2ccccc2CN2CCCC2)cc1 ZINC000000347481

ZINC000000347481 (search)

CN1[C@H]2CC[C@@H]1CC(=NNc1ccccc1Cl)C2 ZINC000169321976

ZINC000169321976 (search)

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1 ZINC000035824292

ZINC000035824292 (search)

N#C/N=C1\SCCN1Cc1ccc(Cl)nc1 ZINC000013828082

ZINC000013828082 (search)

c1ccc(CN2[C@H]3CC[C@@H]2C[C@H](OC2c4ccccc4CCc4ccccc42)C3)cc1 ZINC000101549451

ZINC000101549451 (search)

O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 ZINC000013916733

ZINC000013916733 (search)

C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2 ZINC000100055601

ZINC000100055601 (search)

Cc1ccccc1[C@H](OCCN1CCCCC1)c1ccccc1 ZINC000072119685

ZINC000072119685 (search)

Cc1cccc2c1CCc1ccccc1[C@H]2OC1C[C@@H]2CC[C@H](C1)N2C ZINC000003633960

ZINC000003633960 (search)

c1ccc2c(c1)CCc1ccccc1C2OC1C[C@@H]2CC[C@H](C1)N2 ZINC000003640301

ZINC000003640301 (search)

O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Oc1ccccc1 ZINC000064549134

ZINC000064549134 (search)

O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1 ZINC000101644900

ZINC000101644900 (search)

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1cc(O)cc(O)c1)c1ccccc1 ZINC000101644925

ZINC000101644925 (search)

C=C[C@H]1CN2CC[C@H]1C[C@@H]2c1[nH]c2ccccc2c1CCO ZINC000000345622

ZINC000000345622 (search)

CC1(C)C=C(c2cc(Br)c(C3=CC(C)(C)NC(C)(C)C3)s2)CC(C)(C)N1 ZINC000000752004

ZINC000000752004 (search)

CN1[C@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 ZINC000100092121

ZINC000100092121 (search)

O=C(Nc1ccc(Br)cc1)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 ZINC000034046348

ZINC000034046348 (search)

N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 ZINC000064539689

ZINC000064539689 (search)

O=C1COc2ccccc2N1CCCCN1CCc2ccccc2C1 ZINC000005948401

ZINC000005948401 (search)

Cc1ccc([C@H](OC[C@@H]2CCC[N+](C)(C)C2)c2ccccc2)cc1 ZINC000072120498

ZINC000072120498 (search)

N=C(N)NCCN1[C@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 ZINC000101631189

ZINC000101631189 (search)

O=C(Nc1ccccc1)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 ZINC000038278483

ZINC000038278483 (search)

CN1[C@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000000156831

ZINC000000156831 (search)

CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 ZINC000000001624

ZINC000000001624 (search)

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000101644905

ZINC000101644905 (search)

C[C@@H]1CC2(CCCCC2)NCc2ccccc21 ZINC000003882926

ZINC000003882926 (search)

C[C@@H]1CC[N@@+]2(C)CCc3c([nH]c4ccccc34)[C@H]2C1 ZINC000261101982

ZINC000261101982 (search)

CCCN1CCC(OC2c3ccccc3CCc3ccccc32)CC1 ZINC000003634098

ZINC000003634098 (search)

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 ZINC000101644892

ZINC000101644892 (search)

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1ccccc1)c1ccccc1 ZINC000101644909

ZINC000101644909 (search)

O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1cccc(O)c1)c1ccccc1 ZINC000101644920

ZINC000101644920 (search)

CN1C[C@H]2Cc3ccccc3[C@H]1c1ccccc12 ZINC000253731857

ZINC000253731857 (search)

O=[N+]([O-])/N=C1/NCCN1Cc1ccc(Cl)nc1 ZINC000004474604

ZINC000004474604 (search)

c1ccc2c(c1)CCc1ccccc1C2O[C@@H]1C[C@@H]2CC[C@H](C1)N2 ZINC000101644952

ZINC000101644952 (search)

c1ccc2c(CN3CCCCC3)csc2c1 ZINC000000356959

ZINC000000356959 (search)

c1ccc(C2CCN(CCc3cc4ccccc4[nH]3)CC2)cc1 ZINC000007078410

ZINC000007078410 (search)

C[N@@+]1(CCO)Cc2sc3ccc(Cl)cc3c2C1 ZINC000248033824

ZINC000248033824 (search)

N#CCCN1[C@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2 ZINC000101107221

ZINC000101107221 (search)

C/C(=N\C#N)N(C)Cc1ccc(Cl)nc1 ZINC000013827890

ZINC000013827890 (search)

c1ccc2c3c([nH]c2c1)[C@@H]1CCCN1CC3 ZINC000001630521

ZINC000001630521 (search)

N/C(CCN1[C@H]2CC[C@H]1CC(OC1c3ccccc3CCc3ccccc31)C2)=N\O ZINC000101107228

ZINC000101107228 (search)

Cc1cn(C)c(OCC[C@@H](C)N(C)C)n1 ZINC000095594326

ZINC000095594326 (search)

ClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000000347516

ZINC000000347516 (search)

O[C@H](COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1 ZINC000000448359

ZINC000000448359 (search)

CN1CCN(Cc2ccccc2Sc2ccccc2)CC1 ZINC000019802183

ZINC000019802183 (search)

CSc1[nH]c2ccccc2c1CN1CCCCC1 ZINC000020031808

ZINC000020031808 (search)

CN1CCC(OC2c3ccccc3CCc3ccccc32)CC1 ZINC000001482083

ZINC000001482083 (search)

CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 ZINC000100008865

ZINC000100008865 (search)

CN1[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2 ZINC000100079325

ZINC000100079325 (search)

Oc1cccc([C@@H](O)CN2[C@H]3CC[C@@H]2C[C@H](OC2c4ccccc4CCc4ccccc42)C3)c1 ZINC000101644938

ZINC000101644938 (search)

O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)c1cc(O)cc(O)c1)c1ccccc1 ZINC000101644946

ZINC000101644946 (search)

O[C@H](CN1[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2)c1ccccc1 ZINC000101644966

ZINC000101644966 (search)

c1ccc(CN2CCN(CCCSc3cc4ccccc4[nH]3)CC2)cc1 ZINC000019370530

ZINC000019370530 (search)

O=C(N[C@H]1CN2CCC1CC2)c1ccc(Cl)cc1 ZINC000003990028

ZINC000003990028 (search)

c1ccc(C2CCN(CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000072120522

ZINC000072120522 (search)

O=C(Nc1ccc(Br)cc1)O[C@H]1CN2CCC1CC2 ZINC000013911056

ZINC000013911056 (search)

C[C@@H](Cc1ccccc1)N[C@@H]1CN2CCC1CC2 ZINC000019946824

ZINC000019946824 (search)

CN(C)CCc1cccnc1 ZINC000004018167

ZINC000004018167 (search)

CC(=O)OCC[N+](C)(C)C ZINC000003079336

ZINC000003079336 (search)

c1ccc2c(c1)CCc1ccccc1C2OC1CCNCC1 ZINC000006117308

ZINC000006117308 (search)

CCN(CC)Cc1csc2ccc(Cl)cc12 ZINC000002127329

ZINC000002127329 (search)

O=C(Nc1ccc(Br)cc1)N[C@H]1CN2CCC1CC2 ZINC000064539504

ZINC000064539504 (search)

O=C(Nc1ccccc1)N[C@H]1CN2CCC1CC2 ZINC000064539676

ZINC000064539676 (search)

CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1ccccc1)C2 ZINC000100392399

ZINC000100392399 (search)

NC[C@@H](OCc1ccc(Cl)cc1)c1ccccc1 ZINC000072114465

ZINC000072114465 (search)

O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 ZINC000101644962

ZINC000101644962 (search)

O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 ZINC000000050682

ZINC000000050682 (search)

CC1CCN(CCc2cc3ccccc3[nH]2)CC1 ZINC000072116319

ZINC000072116319 (search)