metG

Reference Set (70 Compounds)

O=C(CNC(=O)c1cccs1)N/N=C/c1ccc(C(=O)O)cc1 ZINC000003108912

ZINC000003108912 (search)

O=c1cc(NCCCN[C@H]2CCNc3c(Br)cc(Cl)cc32)[nH]c2ccccc12 ZINC000001547743

ZINC000001547743 (search)

O=c1cc(NCCCN[C@@H]2CCOc3c(Cl)cc(Cl)cc32)[nH]c2ccccc12 ZINC000003925578

ZINC000003925578 (search)

O=c1cc(NCCCN[C@@H]2CCNc3c(Cl)cc(Br)cc32)[nH]c2ccccc12 ZINC000003925584

ZINC000003925584 (search)

O=c1cc(NCCCNCc2cc(Cl)cc(Cl)c2)[nH]c2ccccc12 ZINC000013487759

ZINC000013487759 (search)

O=c1cc(NCCCNCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000013487760

ZINC000013487760 (search)

O=c1cc(NCCCNCc2cc(Cl)cc(Cl)c2Cl)[nH]c2ccccc12 ZINC000013487762

ZINC000013487762 (search)

C=CCc1cc(I)cc(CNCCCNc2cc(=O)c3ccccc3[nH]2)c1OCC ZINC000013487792

ZINC000013487792 (search)

CCOc1c(I)cc(I)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000027744569

ZINC000027744569 (search)

CCOc1c(Br)cc(OC)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487773

ZINC000013487773 (search)

O=c1cc(NCCCNCc2cc(Br)cc(I)c2)[nH]c2ccccc12 ZINC000013487761

ZINC000013487761 (search)

CCOc1c(C)cc(I)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487786

ZINC000013487786 (search)

CCOc1c(I)cc(OC)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487782

ZINC000013487782 (search)

O=c1cc(NCCCN[C@@H]2CCCc3c(Cl)cc(Cl)cc32)[nH]c2ccccc12 ZINC000013487798

ZINC000013487798 (search)

CCOc1c(C)cc(C#N)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487788

ZINC000013487788 (search)

CCOc1c(C#N)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487793

ZINC000013487793 (search)

CCOc1c(CO)cc(I)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487790

ZINC000013487790 (search)

CCc1cc(Br)cc2c1NCC[C@H]2NCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000003925585

ZINC000003925585 (search)

CCOc1c(Cl)cc(OC)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487770

ZINC000013487770 (search)

CCOc1c(Br)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487766

ZINC000013487766 (search)

CCOc1c(Br)cc(C#N)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487772

ZINC000013487772 (search)

CCOc1c(Br)cc(SC)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487775

ZINC000013487775 (search)

CCOc1c(Br)cc(C)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487771

ZINC000013487771 (search)

CCOc1c(C)cc(SC)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487787

ZINC000013487787 (search)

O=c1cc(NCCCN[C@@H]2CCc3c(Cl)cc(Cl)cc32)[nH]c2ccccc12 ZINC000013487796

ZINC000013487796 (search)

CCOc1c(C)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487785

ZINC000013487785 (search)

CCOc1c(I)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000027731020

ZINC000027731020 (search)

O=c1cc(NCCCN[C@@H]2COc3c(Cl)cc(Cl)cc32)[nH]c2ccccc12 ZINC000003925579

ZINC000003925579 (search)

O=c1cc(NCCCNCc2cc(I)cc(I)c2)[nH]c2ccccc12 ZINC000027726319

ZINC000027726319 (search)

CCOc1c(C)cc(Cl)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487784

ZINC000013487784 (search)

CCOc1c(C)cc(C(F)(F)F)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487789

ZINC000013487789 (search)

C=CCOc1c(Cl)cc(Cl)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487764

ZINC000013487764 (search)

CCOc1c(I)cc(C)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487779

ZINC000013487779 (search)

O=c1cc(NCCCN[C@@H]2CCOc3c(Br)cc(Br)cc32)[nH]c2ccccc12 ZINC000003925593

ZINC000003925593 (search)

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

ZINC000003925580 (search)

Cc1cc(Br)c2c(c1)[C@H](NCCCNc1cc(=O)c3ccccc3[nH]1)CCN2 ZINC000013487802

ZINC000013487802 (search)

CCOc1c(Br)cc(I)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000027721877

ZINC000027721877 (search)

O=c1cc(NCCCNCc2cc(Cl)ccc2Cl)[nH]c2ccccc12 ZINC000013487758

ZINC000013487758 (search)

Nc1c(Br)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487767

ZINC000013487767 (search)

O=c1cc(NCCCN[C@@H]2CCOc3c(I)cc(Cl)cc32)[nH]c2ccccc12 ZINC000003925582

ZINC000003925582 (search)

CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(I)cc1COC ZINC000013487791

ZINC000013487791 (search)

Cc1cc(Br)cc2c1NCC[C@@H]2NCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487804

ZINC000013487804 (search)

CNc1c(Br)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487768

ZINC000013487768 (search)

O=c1cc(NCCCNCc2cc(Br)cc(Br)c2OCC(F)(F)F)[nH]c2ccccc12 ZINC000027722023

ZINC000027722023 (search)

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

ZINC000003925586 (search)

O=c1cc(NCCCN[C@@H]2CCOc3c(Cl)cc(I)cc32)[nH]c2ccccc12 ZINC000003925589

ZINC000003925589 (search)

CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(I)cc1OC ZINC000013487795

ZINC000013487795 (search)

CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(Br)cc1OC ZINC000013487794

ZINC000013487794 (search)

CCOc1c(Cl)cc(Cl)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487763

ZINC000013487763 (search)

CCOc1c(I)cc(CO)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487780

ZINC000013487780 (search)

O=c1cc(NCCCNCc2cccc(Cl)c2Cl)[nH]c2ccccc12 ZINC000013487756

ZINC000013487756 (search)

O=c1cc(NCCCNCc2ccc(Cl)cc2Cl)[nH]c2ccccc12 ZINC000013487757

ZINC000013487757 (search)

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

ZINC000003923734 (search)

CCOc1c(I)cc(COC)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487781

ZINC000013487781 (search)

CCNc1c(Br)cc(Br)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487769

ZINC000013487769 (search)

CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(Br)cc1SC ZINC000013487783

ZINC000013487783 (search)

CCOC(=O)c1cc(I)cc(CNCCCNc2cc(=O)c3ccccc3[nH]2)c1OCC ZINC000027745807

ZINC000027745807 (search)

CCOc1c(Br)cc([S@@+](C)[O-])cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487776

ZINC000013487776 (search)

O=c1cc(NCCCN[C@@H]2CCNc3c(Cl)cc(Cl)cc32)[nH]c2ccccc12 ZINC000013487800

ZINC000013487800 (search)

CC(C)Oc1c(Cl)cc(Cl)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487765

ZINC000013487765 (search)

O=c1cc(NCCCOCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000013487753

ZINC000013487753 (search)

CCOc1cc(Br)c(OCC)c(CNCCCNc2cc(=O)c3ccccc3[nH]2)c1 ZINC000013487774

ZINC000013487774 (search)

CCOc1c(Br)cc(S(C)(=O)=O)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487778

ZINC000013487778 (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)

CCOc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)cc(I)cc1C(C)(C)C ZINC000027729873

ZINC000027729873 (search)

O=C(NCCCNc1cc(=O)c2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000013487752

ZINC000013487752 (search)

O=c1cc(NCCCSCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 ZINC000013487754

ZINC000013487754 (search)

CCOC(=O)c1cc(I)c(OCC)c(CNCCCNc2cc(=O)c3ccccc3[nH]2)c1 ZINC000027730229

ZINC000027730229 (search)

O=c1cc(NCCCNCc2ccccc2)[nH]c2ccccc12 ZINC000013487755

ZINC000013487755 (search)

CSCC[C@H](N)C(=O)NS(=O)(=O)O[C@@H]1CC[C@H](n2cnc3c(N)nnnc32)O1 ZINC000028456338

ZINC000028456338 (search)