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Reference Set (22 Compounds)

N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)cc3NC(=N)N)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c(NC(=N)N)c1 ZINC000058558369

ZINC000058558369 (search)

Cc1cccc(C)c1-n1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2c(sc(=S)n2-c2c(C)cccc2C)c1=O ZINC000102710505

ZINC000102710505 (search)

COc1ccc(-c2nnc([C@@H](Cc3ccccc3)n3sc4ccccc4c3=O)o2)cc1 ZINC000095594387

ZINC000095594387 (search)

CCN(CC)CCn1c(NC(=O)c2ccc(Cn3nc(C#N)c(Cl)c3C)o2)nc2ccccc21 ZINC000299838627

ZINC000299838627 (search)

NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000299833647

ZINC000299833647 (search)

CC(=O)N1N=C(c2cc(-c3ccccc3)nc3ccccc23)O[C@@H]1c1ccc(C(=O)O)cc1 ZINC000021941269

ZINC000021941269 (search)

$N=C(N)NCCC[C@H](NC(=O)c1ccc(/C=C2\SC(=O)N(C3CCCC3)C2=O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000299821332$

ZINC000299821332 (search)

$N#C/C(=C\c1ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c2ccccc2)cc1)C(=O)NC1CC1 ZINC000299825592$

ZINC000299825592 (search)

NC(N)=Nc1ccc(OC(=O)c2ccc(N=C(N)N)cc2)cc1 ZINC000006535424

ZINC000006535424 (search)

$N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000299835726$

ZINC000299835726 (search)

$CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/C=C2\SC(=O)N(C3CCCC3)C2=O)cc1)C(N)=O ZINC000096938507$

ZINC000096938507 (search)

$N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000299818884$

ZINC000299818884 (search)

N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000299823059

ZINC000299823059 (search)

COc1ccc(Cc2nnc(NC(=O)/C(C#N)=C/c3cn(Cc4ccccc4)c4ccccc34)s2)cc1 ZINC000299839295

ZINC000299839295 (search)

$N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000299819880$

ZINC000299819880 (search)

$N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000299837529$

ZINC000299837529 (search)

$N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000299837273$

ZINC000299837273 (search)

$CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1)C(N)=O ZINC000096938495$

ZINC000096938495 (search)

N=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(SCc3ccccc3)=NN12 ZINC000008453492

ZINC000008453492 (search)

N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000299820674

ZINC000299820674 (search)

N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000299819838

ZINC000299819838 (search)

$N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000299820501$

ZINC000299820501 (search)