MARS1

Reference Set (57 Compounds)

O=c1cc(NCCCN[C@@H]2CCNc3c(Br)cc(Br)cc32)[nH]c2ccccc12 ZINC000003925580

ZINC000003925580 (search)

CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000013488348

ZINC000013488348 (search)

CCc1cc(I)c2c(c1)[C@H](NCCCNc1cc(=O)c3ccccc3[nH]1)CCN2 ZINC000003925586

ZINC000003925586 (search)

O=c1cc(NCCCNCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000003923734

ZINC000003923734 (search)

C#Cc1nc(N)c2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CCSC)[C@@H](O)[C@H]3O)c2n1 ZINC000013488350

ZINC000013488350 (search)

CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O ZINC000049793441

ZINC000049793441 (search)

CCCCC#Cc1nc(N)c2ncn([C@H]3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CCSC)[C@@H](O)[C@H]3O)c2n1 ZINC000049802421

ZINC000049802421 (search)

CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O ZINC000013488349

ZINC000013488349 (search)

CC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000029549065

ZINC000029549065 (search)

CCC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000084331992

ZINC000084331992 (search)

$NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000029562608$

ZINC000029562608 (search)

CCC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000029556380

ZINC000029556380 (search)

O=C(NCc1nnn[nH]1)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1 ZINC000013534774

ZINC000013534774 (search)

Clc1ccc(-c2ccc(-c3cc(-n4cnnn4)nn3-c3cccnc3)cc2)c(Cl)c1 ZINC000026288961

ZINC000026288961 (search)

Clc1ccc(-c2ccc(-c3cc(-n4cnnn4)nn3-c3ccccn3)cc2)c(Cl)c1 ZINC000026288967

ZINC000026288967 (search)

CCC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000029554785

ZINC000029554785 (search)

CC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000029555596

ZINC000029555596 (search)

CC/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000029559223

ZINC000029559223 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1 ZINC000013534765

ZINC000013534765 (search)

O=C(O)CNC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1 ZINC000013534771

ZINC000013534771 (search)

C/C(=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000084462486

ZINC000084462486 (search)

$NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1/C(=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O)c1ccccc1 ZINC000029555060$

ZINC000029555060 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2ccncc2)n1 ZINC000013534793

ZINC000013534793 (search)

$NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000084462353$

ZINC000084462353 (search)

COc1ccccc1-n1nc(-n2cnnn2)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000026294076

ZINC000026294076 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1 ZINC000013534762

ZINC000013534762 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2cccnc2)n1 ZINC000013534789

ZINC000013534789 (search)

$NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O ZINC000029552449$

ZINC000029552449 (search)

CCC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000084462340

ZINC000084462340 (search)

$NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1/C(=C1\N=C(c2ccc(Br)cc2)OC1=O)c1ccccc1 ZINC000029556407$

ZINC000029556407 (search)

CC/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000029549055

ZINC000029549055 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1ccncc1 ZINC000013534805

ZINC000013534805 (search)

CCn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000013534753

ZINC000013534753 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1cccnc1 ZINC000013534801

ZINC000013534801 (search)

$NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000029555372$

ZINC000029555372 (search)

O=C(O)c1cccc(-n2nc(C(=O)O)cc2-c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1 ZINC000013534737

ZINC000013534737 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2ccccn2)n1 ZINC000013534786

ZINC000013534786 (search)

COc1ccccc1-n1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000013534741

ZINC000013534741 (search)

C/C(=C1/N=C(c2ccc(Br)cc2)OC1=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000029555238

ZINC000029555238 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1ccccn1 ZINC000013534797

ZINC000013534797 (search)

NC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1 ZINC000013534768

ZINC000013534768 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)[nH]n1 ZINC000013534728

ZINC000013534728 (search)

O=C(O)Cn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000013534759

ZINC000013534759 (search)

CSCC[C@H](N)C(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000028110984

ZINC000028110984 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(Cc2ccccc2)n1 ZINC000013534749

ZINC000013534749 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(CCO)n1 ZINC000013534756

ZINC000013534756 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000013534708

ZINC000013534708 (search)

CSCC[C@H](N)C(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000053227596

ZINC000053227596 (search)

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccc2)n1 ZINC000013534731

ZINC000013534731 (search)

CSCC[C@H](N)C(=O)OC[C@H]1O[C@@H](CCn2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000028014899

ZINC000028014899 (search)

O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1cccs1 ZINC000095575592

ZINC000095575592 (search)

O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccccc1O ZINC000095580654

ZINC000095580654 (search)

O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1cccc(F)c1 ZINC000095579008

ZINC000095579008 (search)

O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1ccsc1 ZINC000095580149

ZINC000095580149 (search)

O=C(NCCCNCc1cc(Cl)cc(Cl)c1)Nc1cccc(O)c1 ZINC000095580621

ZINC000095580621 (search)

COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccsc2)c1 ZINC000095580635

ZINC000095580635 (search)

COc1cc(Cl)cc(CNCCCNC(=O)Nc2ccccc2)c1 ZINC000095573697

ZINC000095573697 (search)