TPR

Reference Set (120 Compounds)

O=C(CCc1ccc(O)c(O)c1)NCCCNCCCCNCCCNC(=O)CCc1ccc(O)c(O)c1 ZINC000013513540

ZINC000013513540 (search)

O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCNCCCCNCCCNC(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC000026401916

ZINC000026401916 (search)

COc1ccc2[nH]cc(CC(=O)NCCCNCCCCNCCCNC(=O)Cc3c[nH]c4ccc(OC)cc34)c2c1 ZINC000026401913

ZINC000026401913 (search)

O=C(CCc1c[nH]c2ccccc12)NCCCNCCCCNCCCNC(=O)Cc1c[nH]c2ccccc12 ZINC000026401621

ZINC000026401621 (search)

O=C(Cc1c[nH]c2ccccc12)NCCCNCCCCNCCCNC(=O)Cc1c[nH]c2ccccc12 ZINC000026402423

ZINC000026402423 (search)

O=C(NCCCNCCCCNCCCNC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O ZINC000026395281

ZINC000026395281 (search)

O=C(NCCCCNCCCNC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O ZINC000026394732

ZINC000026394732 (search)

O=C(CCCc1c[nH]c2ccccc12)NCCCNCCCCNCCCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000026394729

ZINC000026394729 (search)

O=C(/C=C/c1ccc(O)c(O)c1)NCCCNCCCCNCCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000013763966

ZINC000013763966 (search)

c1ccc(CCCNCCCN(CCCCN(CCCc2ccccc2)CCCN(CCCc2ccccc2)CCCc2ccccc2)CCCc2ccccc2)cc1 ZINC000095544634

ZINC000095544634 (search)

NCCCN(CCCCN(CCCN)C1c2ccccc2CCc2ccccc21)C1c2ccccc2CCc2ccccc21 ZINC000299854579

ZINC000299854579 (search)

CCCCN(CCCC)CCCNC(=O)CCCCC1=C(C)C(=O)c2cccc(O)c2C1=O ZINC000027716597

ZINC000027716597 (search)

c1ccc2c(NCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3 ZINC000014947254

ZINC000014947254 (search)

CC1=C(CCCCC(=O)NCCCNCCCNC(=O)CCCCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000037858542

ZINC000037858542 (search)

CCCCN(CCCC)CCCNC(=O)CCCCC1=C(CCCCC(=O)NCCCN(CCCC)CCCC)C(=O)c2c(O)cccc2C1=O ZINC000027720864

ZINC000027720864 (search)

c1ccc(CCCNCCCN(CCCCN(CCCNCCCc2ccccc2)CCCc2ccccc2)CCCc2ccccc2)cc1 ZINC000026568119

ZINC000026568119 (search)

S=C(Nc1cccnc1)NC1CCN(Cc2ccccc2)CC1 ZINC000000066436

ZINC000000066436 (search)

CCCCN(CCCC)CCCNC(=O)CCCCC1=C(C)C(=O)c2ccccc2C1=O ZINC000027713980

ZINC000027713980 (search)

NCCCN(CCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1 ZINC000026567443

ZINC000026567443 (search)

C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000013677737

ZINC000013677737 (search)

$COc1cc(C(=N)NC2CCC(CC3CCC(/N=C(\N)c4ccc(OCc5ccccc5)c(OC)c4)CC3)CC2)ccc1OCc1ccccc1 ZINC000028462500$

ZINC000028462500 (search)

N#Cc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1 ZINC000026477833

ZINC000026477833 (search)

C=CC(=O)/C=C/c1ccccc1Cl ZINC000013676187

ZINC000013676187 (search)

CN(C)CCOc1cc2ccc(OC3=CC(=O)c4cc5ccccc5cc4C3=O)cc2oc1=O ZINC000473119242

ZINC000473119242 (search)

CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000044027

ZINC000000044027 (search)

COc1ccc2nc3cc(Cl)ccc3c(NCCCNS(=O)(=O)c3ccc4ccccc4c3)c2c1 ZINC000026637908

ZINC000026637908 (search)

NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1 ZINC000005834438

ZINC000005834438 (search)

c1ccc(CCCNCCCCN(CCCNCCCc2ccccc2)CCCc2ccccc2)cc1 ZINC000026506998

ZINC000026506998 (search)

c1ccc(CCCNCCCNCCCCNCCCN(CCCc2ccccc2)CCCc2ccccc2)cc1 ZINC000026505500

ZINC000026505500 (search)

NCCCCN(CCCN)C1c2ccccc2CCc2ccccc21 ZINC000040762637

ZINC000040762637 (search)

NCCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1 ZINC000026569684

ZINC000026569684 (search)

COc1ccc2nc3cc(Cl)ccc3c(NCCCCNS(=O)(=O)c3ccc4ccccc4c3)c2c1 ZINC000026579661

ZINC000026579661 (search)

CCN(CC)CCCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 ZINC000013557621

ZINC000013557621 (search)

NCCCN(CCCCN(CCCN)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000005834445

ZINC000005834445 (search)

CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000004161545

ZINC000004161545 (search)

COc1ccc2nc3cc(Cl)ccc3c(NCCNS(=O)(=O)c3ccc4ccccc4c3)c2c1 ZINC000026642017

ZINC000026642017 (search)

CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 ZINC000000020248

ZINC000000020248 (search)

COc1cc(C[C@@H]2NCCc3c2[nH]c2ccccc32)ccc1O ZINC000026484180

ZINC000026484180 (search)

COc1ccc2nc3cc(Cl)ccc3c(N)c2c1 ZINC000004429033

ZINC000004429033 (search)

COc1ccc(-c2ccc(-c3ccccc3)o2)cc1 ZINC000000035953

ZINC000000035953 (search)

COc1cc2nc(N3CCN(C4=CC(=O)c5ccccc5C4=O)CC3)nc(N)c2cc1OC ZINC000013606752

ZINC000013606752 (search)

COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C ZINC000030726863

ZINC000030726863 (search)

NCCCN(CCCN)C1c2ccccc2CCc2ccccc21 ZINC000299854652

ZINC000299854652 (search)

COc1cccc(-c2ccc(-c3ccccc3)o2)c1 ZINC000136936890

ZINC000136936890 (search)

N=c1n(CCOc2ccccc2)c2ccccc2n1CCN1CCCCC1 ZINC000000716198

ZINC000000716198 (search)

N#Cc1c(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)[nH]2)sc2c1CCCC2 ZINC000006445734

ZINC000006445734 (search)

c1ccc2cc(CNCCCCNCCCNCc3ccc4ccccc4c3)ccc2c1 ZINC000005843162

ZINC000005843162 (search)

CCN(CC)CCC[C@@H](C)Nc1c2ccccc2nc2cc(Cl)ccc12 ZINC000012243849

ZINC000012243849 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(Cl)c(Cl)c1 ZINC000013812784

ZINC000013812784 (search)

CC(C)(C)c1ccc([N+](C)(C)CCCN)cc1 ZINC000028529855

ZINC000028529855 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)c1ccc(Cl)c(Cl)c1 ZINC000028529711

ZINC000028529711 (search)

Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1C ZINC000013812794

ZINC000013812794 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCc2ccccc2)cc1 ZINC000013812806

ZINC000013812806 (search)

COc1ccc2c(C[N+](C)(C)CCCN3c4ccccc4Sc4ccc(Cl)cc43)cc(=O)oc2c1 ZINC000013812800

ZINC000013812800 (search)

CC(C)(C)c1ccc([N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000013677732

ZINC000013677732 (search)

CC(C)(C)c1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000013812808

ZINC000013812808 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)C(c1ccccc1)c1ccccc1 ZINC000013812788

ZINC000013812788 (search)

COc1cc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc(OC)c1 ZINC000013812797

ZINC000013812797 (search)

CN1CCN(CCCNC(=O)CCCCCC2=C(CCCCCC(=O)NCCCN3CCN(C)CC3)C(=O)c3c(O)cccc3C2=O)CC1 ZINC000027636777

ZINC000027636777 (search)

N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1 ZINC000095538312

ZINC000095538312 (search)

C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001677751

ZINC000001677751 (search)

CC1=C(CCCCC(=O)NCCCN2CCN(CCCNC(=O)CCCCC3=C(C)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc2C1=O ZINC000037858539

ZINC000037858539 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013812792

ZINC000013812792 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccccc1 ZINC000013812771

ZINC000013812771 (search)

CC1=C(CCCCC(=O)NCCCCNCCCNC(=O)CCCCC2=C(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000037858547

ZINC000037858547 (search)

Cc1cc(C(=O)C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)ccc1Cl ZINC000013812804

ZINC000013812804 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(Br)cc1 ZINC000013812782

ZINC000013812782 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)c1ccc2ccccc2c1 ZINC000013812790

ZINC000013812790 (search)

CC1=C(CCCCCC(=O)NCCCCNCCCNC(=O)CCCCCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000037858534

ZINC000037858534 (search)

CC1=C(CCCCCC(=O)NCCCN2CCN(CCCNC(=O)CCCCCC3=C(C)C(=O)c4cccc(O)c4C3=O)CC2)C(=O)c2c(O)cccc2C1=O ZINC000095588105

ZINC000095588105 (search)

N=C(NCCCNCCCCCCCNCCCNC(=N)NC(=N)NCC(c1ccccc1)c1ccccc1)NC(=N)NCC(c1ccccc1)c1ccccc1 ZINC000095541593

ZINC000095541593 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1c(F)c(F)c(F)c(F)c1F ZINC000013812802

ZINC000013812802 (search)

CC1=C(CCCCC(=O)NCCCCNCCCNC(=O)CCCCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000037858536

ZINC000037858536 (search)

CC1=C(CCCCCC(=O)NCCCCNCCCNC(=O)CCCCCC2=C(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000037858544

ZINC000037858544 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(Cl)cc1 ZINC000013812775

ZINC000013812775 (search)

Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1 ZINC000013812773

ZINC000013812773 (search)

CN1CCN(CCC(=O)Nc2ccccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 ZINC000037858550

ZINC000037858550 (search)

CC1=C(CCC(=O)NCCCNCCCNC(=O)CCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000036113897

ZINC000036113897 (search)

$NC(=N/CCCCCC/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(/N)Nc1ccc(Cl)cc1 ZINC000014768621$

ZINC000014768621 (search)

COc1cc(C(=N)Nc2ccc(Oc3ccc(NC(=N)c4ccc(OCc5ccccc5)c(OC)c4)cc3)cc2)ccc1OCc1ccccc1 ZINC000028468678

ZINC000028468678 (search)

CC1=C(CCCC(=O)NCCCNCCCNC(=O)CCCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000037858538

ZINC000037858538 (search)

CC1=C(CCCCCC(=O)NCCCNCCCNC(=O)CCCCCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000037858541

ZINC000037858541 (search)

N=C(NCCCNCCCCCCCNCCCNC(=N)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000037858553

ZINC000037858553 (search)

CC1=C(CCCC(=O)NCCCCNCCCNC(=O)CCCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000037858537

ZINC000037858537 (search)

CC1=C(CCCC(=O)NCCCN2CCN(CCCNC(=O)CCCC3=C(C)C(=O)c4cccc(O)c4C3=O)CC2)C(=O)c2c(O)cccc2C1=O ZINC000037858546

ZINC000037858546 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)CC1CCCCC1 ZINC000013812778

ZINC000013812778 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1cccc(Cl)c1 ZINC000013812780

ZINC000013812780 (search)

CC1=C(CCCCC(=O)NCCCN2CCN(CCCNC(=O)CCCCC3=C(C)C(=O)c4cccc(O)c4C3=O)CC2)C(=O)c2c(O)cccc2C1=O ZINC000037858535

ZINC000037858535 (search)

CC1=C(CCCCCC(=O)NCCCNCCCNC(=O)CCCCCC2=C(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000037858545

ZINC000037858545 (search)

CC1=C(CCC(=O)NCCCN2CCN(CCCNC(=O)CCC3=C(C)C(=O)c4cccc(O)c4C3=O)CC2)C(=O)c2c(O)cccc2C1=O ZINC000037858540

ZINC000037858540 (search)

CC(C)(C)c1ccc([N+](C)(C)CCCNc2cc(Cl)ccc2Sc2ccccc2)cc1 ZINC000013677743

ZINC000013677743 (search)

CC1=C(CCC(=O)NCCCCNCCCNC(=O)CCC2=C(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000036113899

ZINC000036113899 (search)

N=C(NCCCNCCCCNCCCNC(=N)NC(=N)NCC(c1ccccc1)c1ccccc1)NC(=N)NCC(c1ccccc1)c1ccccc1 ZINC000037858555

ZINC000037858555 (search)

CN1CCN(C(=O)CCCCCC2=C(CCCCCC(=O)N3CCN(C)CC3)C(=O)c3c(O)cccc3C2=O)CC1 ZINC000027636506

ZINC000027636506 (search)

CC1=C(CCC(=O)NCCCCNCCCNC(=O)CCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000036113892

ZINC000036113892 (search)

N=C(NCCCNCCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1 ZINC000037858556

ZINC000037858556 (search)

N=C(NCCCNCCCCNCCCNC(=N)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000037858554

ZINC000037858554 (search)

C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000013812786

ZINC000013812786 (search)

CC1=C(CCCCCC(=O)NCCCN2CCN(CCCNC(=O)CCCCCC3=C(C)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc2C1=O ZINC000037858548

ZINC000037858548 (search)

N=C(NCCCNCCCNCCCNC(=N)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000036113905

ZINC000036113905 (search)

N=C(NCCCNCCCNCCCNC(=N)NC(=N)NCCC(c1ccccc1)c1ccccc1)NC(=N)NCCC(c1ccccc1)c1ccccc1 ZINC000037858558

ZINC000037858558 (search)

CC1=C(CCC(=O)NCCCN2CCN(CCCNC(=O)CCC3=C(C)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc2C1=O ZINC000037858549

ZINC000037858549 (search)

CC1=C(CCCC(=O)NCCCCNCCCNC(=O)CCCC2=C(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000036113890

ZINC000036113890 (search)

N=C(NCCCNCCCNCCCNC(=N)NC(=N)NCC(c1ccccc1)c1ccccc1)NC(=N)NCC(c1ccccc1)c1ccccc1 ZINC000037858557

ZINC000037858557 (search)

CC1=C(CCCC(=O)NCCCN2CCN(CCCNC(=O)CCCC3=C(C)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc2C1=O ZINC000037858543

ZINC000037858543 (search)

N=C(NCCCNCCCCNCCCNC(=N)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000036113908

ZINC000036113908 (search)

N=C(NCCCNCCCCCCCNCCCNC(=N)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000037858552

ZINC000037858552 (search)

$COc1cc(C(=N)NCCCCCCCC/N=C(\N)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000028460326$

ZINC000028460326 (search)

CC1=C(CCC(=O)NCCCNCCCNC(=O)CCC2=C(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000036113895

ZINC000036113895 (search)

N=C(NCCCNCCCNCCCNC(=N)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000037858551

ZINC000037858551 (search)

C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000013677739

ZINC000013677739 (search)

CN1CCN(C(=O)CCCCC2=C(CCCCC(=O)N3CCN(C)CC3)C(=O)c3c(O)cccc3C2=O)CC1 ZINC000013861893

ZINC000013861893 (search)

N=C(CCCCCCCC(=N)NCC#Cc1ccccc1)NCC#Cc1ccccc1 ZINC000013648243

ZINC000013648243 (search)

CC1=C(NCCCN2CCN(CCCN)CC2)C(=O)c2ccccc2C1=O ZINC000027643274

ZINC000027643274 (search)

O=C(Cc1cccc2ccccc12)NCCNC(=O)C1(NC(=O)C(=O)c2ccc([N+](=O)[O-])cc2)CCNCC1 ZINC000028460563

ZINC000028460563 (search)

CN1CCN(CCCNC(=O)CCCCC2=C(CCCCC(=O)NCCCN3CCN(C)CC3)C(=O)c3c(O)cccc3C2=O)CC1 ZINC000027637443

ZINC000027637443 (search)

CC1=C(NCCCNCCCCNCCCNC2=C(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000036113903

ZINC000036113903 (search)

C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000013677741

ZINC000013677741 (search)

CC1=C(NCCCNCCC/N=C2/C(=O)c3ccccc3C(=O)C2C)C(=O)c2ccccc2C1=O ZINC000100872288

ZINC000100872288 (search)

CC1=C(NCCCN2CCN(CCCNC3=C(C)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc2C1=O ZINC000036113901

ZINC000036113901 (search)