CASP4

Reference Set (13 Compounds)

CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21 ZINC000004141329

ZINC000004141329 (search)

O=C1C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000013863068

ZINC000013863068 (search)

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O ZINC000198204206

ZINC000198204206 (search)

c1ccc(CCN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 ZINC001772587272

ZINC001772587272 (search)

c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1 ZINC000002512488

ZINC000002512488 (search)

O=[N+]([O-])c1ccc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)cc1 ZINC001772582414

ZINC001772582414 (search)

Cc1c(C)c2c(c(C)c1O)C[C@H](CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)[C@H](C)O2 ZINC000033974590

ZINC000033974590 (search)

c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCN(CC2CCCCC2)CC1 ZINC001772589037

ZINC001772589037 (search)

C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@@H]12 ZINC000029747252

ZINC000029747252 (search)

c1cncc(CN2CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC2)c1 ZINC001772574346

ZINC001772574346 (search)

N#Cc1nc(Nc2cc(F)cc(F)c2)nc(NC2CCCC2)n1 ZINC000013831586

ZINC000013831586 (search)

CCCCCCN(C)CC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O ZINC000003979930

ZINC000003979930 (search)

CCCCCN(C)CC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O ZINC000003979932

ZINC000003979932 (search)