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Reference Set (52 Compounds)

CC(C)CN(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO ZINC000022445464

ZINC000022445464 (search)

Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1/N=C/c1ccc(OCC(=O)O)cc1 ZINC000000716043

ZINC000000716043 (search)

O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O ZINC000013122196

ZINC000013122196 (search)

Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1O ZINC000261159184

ZINC000261159184 (search)

O=C(NCc1cccc(F)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000001345750

ZINC000001345750 (search)

O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002498762

ZINC000002498762 (search)

$CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)S/C1=N\c1cccc(C(=O)O)c1 ZINC000018080850$

ZINC000018080850 (search)

$CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000013120492$

ZINC000013120492 (search)

CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 ZINC000002064492

ZINC000002064492 (search)

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003914809

ZINC000003914809 (search)

O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N3)cc1 ZINC000006103604

ZINC000006103604 (search)

O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCC(c1ccccc1)c1ccccc1 ZINC000008687295

ZINC000008687295 (search)

$Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1O ZINC000013617538$

ZINC000013617538 (search)

$CC(=O)N1C(=O)/C(=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000013555352$

ZINC000013555352 (search)

CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1N=Nc1ccccc1O ZINC000299813040

ZINC000299813040 (search)

Nc1nonc1C(=O)N/N=C/c1cc(Br)ccc1O ZINC000000206365

ZINC000000206365 (search)

O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)c2cccc(O)c2)C1=O ZINC000002452551

ZINC000002452551 (search)

COc1ccc(NC(=S)NNc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2[N+](=O)[O-])cc1 ZINC000013683328

ZINC000013683328 (search)

O=C(O)CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1ccccc1 ZINC000009007577

ZINC000009007577 (search)

O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000002498772

ZINC000002498772 (search)

COc1cc(/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1O ZINC000038153578

ZINC000038153578 (search)

COc1ccc([C@@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NN2C(=O)CCC(=O)O)cc1 ZINC000006239966

ZINC000006239966 (search)

$CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=N)N21 ZINC000008682897$

ZINC000008682897 (search)

O=C1CC(c2ccco2)CC(=O)C1/C=N/c1cc(Cl)ccc1O ZINC000013719021

ZINC000013719021 (search)

O=C1Nc2ccccc2S/C1=C/NCc1ccccc1Cl ZINC000100390848

ZINC000100390848 (search)

O=C(O)CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1cccs1 ZINC000008830163

ZINC000008830163 (search)

COc1cc(/C=C2/C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Br)cc1O ZINC000013483005

ZINC000013483005 (search)

O=[N+]([O-])c1cc(Br)c(O)c(/C=N/Nc2nnnn2-c2cccc3ccccc23)c1 ZINC000038173113

ZINC000038173113 (search)

CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000002861002

ZINC000002861002 (search)

O=C(NN1C(=O)c2ccccc2NC12CCCCC2)c1ccccc1 ZINC000001439729

ZINC000001439729 (search)

Cc1csc(NC(=O)CSCC(=O)O)c1-c1nc2ccccc2s1 ZINC000004324857

ZINC000004324857 (search)

COc1ccc(-c2cc(=NCCCCCC(=O)O)c3cc(C)ccc3o2)cc1 ZINC000253947024

ZINC000253947024 (search)

CCOc1nc(N=C(N)N)nc2c(C)cccc12 ZINC000008829687

ZINC000008829687 (search)

Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccccc1 ZINC000002258263

ZINC000002258263 (search)

CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2[nH]c(=O)[nH]c(=O)c12 ZINC000005625436

ZINC000005625436 (search)

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)c1C ZINC000000941895

ZINC000000941895 (search)

CC/C(NNC(=O)c1ccccc1O)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000005025513

ZINC000005025513 (search)

O=C(N/N=C/c1cc(Br)ccc1O)c1ccncc1 ZINC000000061563

ZINC000000061563 (search)

O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1Cl ZINC000000723607

ZINC000000723607 (search)

O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000001380781

ZINC000001380781 (search)

Cc1ccc2c(c1)c1nnc(SCC(=O)Nc3cccc(Cl)c3C)nc1n2CC(=O)O ZINC000001331107

ZINC000001331107 (search)

O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)c1cccs1 ZINC000001364989

ZINC000001364989 (search)

N#Cc1c(-c2cccs2)nc(SCC(=O)c2ccc(Br)cc2)[nH]c1=O ZINC000015924329

ZINC000015924329 (search)

NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1 ZINC000003293653

ZINC000003293653 (search)

O=C(O)COc1ccc(/C=N/n2c(COc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000000716040

ZINC000000716040 (search)

O=C(NNC(=S)NCCc1ccccc1)c1ccc(Br)s1 ZINC000002851595

ZINC000002851595 (search)

O=c1[nH]c(SCc2ccccc2Cl)nc2n[nH]cc12 ZINC000018140303

ZINC000018140303 (search)

$CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc21 ZINC000002688368$

ZINC000002688368 (search)

O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc2c(ccc3ccccc32)o1 ZINC000002315079

ZINC000002315079 (search)

O=C(O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1O ZINC000000784501

ZINC000000784501 (search)

Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2c1 ZINC000013574302

ZINC000013574302 (search)

Cc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)c(C)c1 ZINC000004681147

ZINC000004681147 (search)