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Reference Set (67 Compounds)

COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12 ZINC000004099018

ZINC000004099018 (search)

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21 ZINC000003861470

ZINC000003861470 (search)

$CN(C)/C=C1\C=C2C(=O)c3ccccc3N2C1=O ZINC000012341388$

ZINC000012341388 (search)

COc1ccc2noc3c2c1C(=O)c1ccccc1-3 ZINC000000262414

ZINC000000262414 (search)

CC(=O)OCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21 ZINC000001666568

ZINC000001666568 (search)

C[n+]1c2cc(N)ccc2cc2ccc(N)cc21 ZINC000003775641

ZINC000003775641 (search)

CCN(CC)CCC[C@H](C)n1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)ccc21 ZINC000001670970

ZINC000001670970 (search)

O=c1ccc2c(-c3ccccc3S(=O)(=O)O)c3ccc(O)c(O)c3oc-2c1O ZINC000003861600

ZINC000003861600 (search)

COCCCNc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2 ZINC000008580232

ZINC000008580232 (search)

Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1C(=O)O ZINC000003881301

ZINC000003881301 (search)

C/C(=N/NC(=O)c1ccncc1)c1cc2ccc(O)cc2oc1=O ZINC000000492931

ZINC000000492931 (search)

CCOc1ccc2noc3c2c1C(=O)c1ccccc1-3 ZINC000000034247

ZINC000000034247 (search)

CNc1ccc2c3c(cccc13)C(=O)N(C)C2=O ZINC000004714239

ZINC000004714239 (search)

CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N(Cc1ccccc1)Cc1ccco1 ZINC000057710846

ZINC000057710846 (search)

Nc1ccc2cc3[nH]c4cc(N)ccc4c3nc2c1 ZINC000102890860

ZINC000102890860 (search)

Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(c23)C1=O ZINC000000368736

ZINC000000368736 (search)

$CN1C(=O)/C(=N\CCc2ccccc2)c2c3ccccc3c(O)c3cccc1c23 ZINC000101926498$

ZINC000101926498 (search)

$CCOc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1OC ZINC000006338732$

ZINC000006338732 (search)

O=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1ccco1 ZINC000006863628

ZINC000006863628 (search)

CN(C)c1ccc(/C=N/N(CCO)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000005879013

ZINC000005879013 (search)

CCNc1ccc2noc3c2c1C(=O)c1ccccc1-3 ZINC000000265955

ZINC000000265955 (search)

$CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23 ZINC000101966068$

ZINC000101966068 (search)

N=c1ccc2ccc3ccccn3c-2c1 ZINC000334160114

ZINC000334160114 (search)

O=C1CCn2cnc3cccc4ccc1c2c43 ZINC000000041157

ZINC000000041157 (search)

Nc1ccc2nc3c(=O)n(C4CCCCC4)c(=O)[nH]c3nc2c1 ZINC000100487016

ZINC000100487016 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000003918087

ZINC000003918087 (search)

COc1ccc(OC)c(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)c1 ZINC000004891842

ZINC000004891842 (search)

O=c1ccc2ccc3ccccn3c-2c1 ZINC000377833867

ZINC000377833867 (search)

CC1=NCCc2c1[nH]c1cc(O)ccc21 ZINC000000058176

ZINC000000058176 (search)

O=C1c2cccc3c(O)ccc(c23)C(=O)N1c1ccc(Cl)cc1 ZINC000005731263

ZINC000005731263 (search)

CCN(CC)CCCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23 ZINC000005114744

ZINC000005114744 (search)

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1 ZINC000001611274

ZINC000001611274 (search)

O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/C=C/c3ccco3)C2=O)ccc1Cl ZINC000008445238

ZINC000008445238 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000003917708

ZINC000003917708 (search)

CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O ZINC000018039667

ZINC000018039667 (search)

$N=C1/C(=C\c2ccc(O)c(O)c2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 ZINC000005163124$

ZINC000005163124 (search)

CN1C(=O)C(=N)c2c3ccccc3c(O)c3c(Br)ccc1c23 ZINC000004031277

ZINC000004031277 (search)

O=C(O)CCCCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccsc2c1=O ZINC000002925624

ZINC000002925624 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 ZINC000011592928

ZINC000011592928 (search)

COc1ccc2ccccc2c1[C@@H](O)c1nccn1C ZINC000000143570

ZINC000000143570 (search)

Nc1ccc2nc3c(=O)[nH]c(=S)[nH]c3nc2c1 ZINC000009312930

ZINC000009312930 (search)

Cc1cc2nc3c(=O)[nH]c(=O)[nH]c3nc2c([N+](=O)[O-])c1N ZINC000004789606

ZINC000004789606 (search)

CCOC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc23)C1 ZINC000004698460

ZINC000004698460 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 ZINC000003954475

ZINC000003954475 (search)

$CCCC/N=C1\C(=O)N(C)c2cccc3c(O)c4ccccc4c1c23 ZINC000101758698$

ZINC000101758698 (search)

O=C(O)[C@@H]1Nc2c(O)cc(Cl)c([N+](=O)[O-])c2[C@H]2C=CC[C@H]21 ZINC000000084465

ZINC000000084465 (search)

O=c1[nH]c2c(s1)C=Nc1ccccc1N2 ZINC000100639257

ZINC000100639257 (search)

CNc1c2cccc(C)c2nc2c(C(=O)NCCN(C)C)cccc12 ZINC000005850653

ZINC000005850653 (search)

O=C(c1ccccc1)c1ccc(O)cc1O ZINC000000225430

ZINC000000225430 (search)

Nc1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O ZINC000000187582

ZINC000000187582 (search)

O=C(O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc21 ZINC000000266001

ZINC000000266001 (search)

Cc1cccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c1 ZINC000000190454

ZINC000000190454 (search)

CC(C)CCN1C(=O)c2cccc3c(N)ccc(c23)C1=O ZINC000005002658

ZINC000005002658 (search)

CN(C)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23 ZINC000005502555

ZINC000005502555 (search)

COC(=O)C[n+]1cccc2ccccc21 ZINC000003168169

ZINC000003168169 (search)

Oc1ccc2nnc3c(Br)cnn3c2c1 ZINC000015923393

ZINC000015923393 (search)

O=S(=O)(O)c1ccc(O)c2cc(Nc3ccccc3)ccc12 ZINC000001577004

ZINC000001577004 (search)

COc1ccc2c3c(cccc13)C(=O)CC2 ZINC000000068718

ZINC000000068718 (search)

Nc1cccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c1 ZINC000000357808

ZINC000000357808 (search)

COc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 ZINC000002967245

ZINC000002967245 (search)

O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23 ZINC000000507877

ZINC000000507877 (search)

c1ccc2nc3cc4[nH]cnc4cc3nc2c1 ZINC000006045739

ZINC000006045739 (search)

Nc1ccc2nonc2c1[N+](=O)[O-] ZINC000004016552

ZINC000004016552 (search)

CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC)nc2)C1=O ZINC000012538819

ZINC000012538819 (search)

CS(=O)(=O)NC1=NC2=NC(c3ccc(Br)cc3)=C[C@H](c3ccccc3)N2N1 ZINC000100486424

ZINC000100486424 (search)

Cc1nc(Cl)c2c(n1)N=C1CCCC(=O)C1O2 ZINC000000478594

ZINC000000478594 (search)

OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 ZINC000000643046

ZINC000000643046 (search)