Compound Name

SMILES String

[#6]-[#6](-[#6](=O)-c1ccccc1)-n1c(=O)n(-[#6])c2nc(-[#7]-3-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O

COCCn1c(=O)n(C)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O

Cn1c(=O)n(CC#C)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O

Cn1c(=O)n(-c2ccccc2)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccc4ccccc4n3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-1

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ncnc4ccccc34)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-1

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3cc4ccccc4cn3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-1

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3cccc(c3)-[#6](-[#8])=O)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-1

[#6]-[#7]-[#6](=O)-c1cccc(c1)-[#6](=O)-[#6]-n1c(=O)n(-[#6])c2nc(-[#7]-3-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3-[#6](=O)-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-1

CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(=O)n(C)c4ccccc34)c(=O)c12)N1CCCC(N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3ccnc4ccccc34)c(=O)c12)N1CCCC(N)C1

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-[#7]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-1

[#6]-[#8]-c1cccc(-[#6](=O)-[#6]-n2c(=O)n(-[#6])c3nc(-[#7]-4-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-4)n(-[#6]\[#6]=[#6](\[#6])-[#6])c3c2=O)c1-[#8]-[#6]

CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1

CCNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O

C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(C)=O)c(=O)c12)N1CCCC(N)C1

CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O

C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(=O)C(C)C)c(=O)c12)N1CCCC(N)C1

C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc(C)c4ccccc34)c(=O)c12)N1CCC[C@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3ncc(C)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3cccc4OCCOc34)c(=O)c12)N1CCC[C@@H](N)C1

COc1ccc(Cn2c(=O)n(C)c3nc(N4CCC[C@H](N)C4)n(CC#CC)c3c2=O)c2ccccc12

COc1ccc(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)c2ccccc12

CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3cccc4OCOc34)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1

C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(=O)C(C)C)c(=O)c12)N1CCC[C@H](N)C1

CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(C\C=C\C)c2c1=O

CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@H](N)C3)n(C\C=C\C)c2c1=O

CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(=O)C(C)C)c(=O)c12)N1CCC[C@@H](N)C1

C\C=C\Cn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(=O)C(C)C)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(C#N)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(C)c4nccnc4c3)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(F)c4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(C\C=C\c3c(F)c(F)c(F)c(F)c3F)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(cc4ccccc34)C(F)(F)F)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(cc4ccccc34)C(F)F)c(=O)c12)N1CCC[C@@H](N)C1

CC#CCn1c(nc2n(C3CC3)c(=O)n(Cc3nc(-c4ccccc4)c4ccccc4n3)c(=O)c12)N1CCCC(N)C1

CC#CCn1c(nc2n(C3CC3)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1

COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O

Cc1cc2ccccc2c(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c2=O)n1

Cc1cc2ccccc2c(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Br)c3c2=O)n1

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3c(CCCS3(=O)=O)c2C1 |r|

Cc1nn(c2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F)S(C)(=O)=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cc(sc2C1)C(O)=O |r|

CS(=O)(=O)c1ccc2CN(Cc2c1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(Br)cc2C1 |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)S(N)(=O)=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)S(=O)(=O)C1CC1 |r|

O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N |r|

C[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

CC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

CC[C@@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

C=C[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

C=C[C@@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

OC[C@@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

CC(C)[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

O=C([C@@H]1CC[C@@H](N1)c1ccccc1)N1CCC[C@H]1C#N |r|

O=C(Nc1ccccc1)[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

Brc1ccc(NC(=O)[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|

O=C(NC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|

O=C(NC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)Nc1ccccc1 |r|

COC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|

O=C([C@@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)N1)N1CCC[C@H]1C#N |r|

O=C([C@@H]1CC[C@H](CNc2ccccc2)N1)N1CCC[C@H]1C#N |r|

Brc1ccc(NC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|

CN(C[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|

O=C([C@@H]1CC[C@H](CN2CCOCC2)N1)N1CCC[C@H]1C#N |r|

O=C([C@@H]1CC[C@H](COc2ccccc2)N1)N1CCC[C@H]1C#N |r|

Brc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|

Brc1ccc(OC[C@@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|

O=C([C@@H]1CC[C@H](COCc2ccccc2)N1)N1CCC[C@H]1C#N |r|

Cc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|

COc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|

O=C([C@@H]1CC[C@H](COc2ccc(cc2)C#N)N1)N1CCC[C@H]1C#N |r|

Cc1ccccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

Clc1ccccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

Clc1cccc(Cl)c1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

Clc1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C#N |r|

Clc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r|

OC(=O)c1cc(Cl)ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

Clc1ncccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

O=C([C@@H]1CC[C@H](COc2ccc3OCOc3c2)N1)N1CCC[C@H]1C#N |r|

O=C([C@@H]1CC[C@H](COc2cccc3ccccc23)N1)N1CCC[C@H]1C#N |r|

O=C([C@@H]1CC[C@H](COc2cccc3CCCCc23)N1)N1CCC[C@H]1C#N |r|

CC(C)(C)c1ccccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

O=C([C@@H]1CC[C@H](COc2ccccc2Cc2ccccc2)N1)N1CCC[C@H]1C#N |r|

CC(C)(C)c1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O |r|

CC(C)c1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O |r|

OC(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r|

COc1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O |r|

OC(=O)c1ccc(Cl)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1 |r|

OC(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Br)c1 |r|

OC(=O)c1ccc(Br)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1 |r|

OC(=O)c1cnc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r|

OC(=O)c1cnc(Cl)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1 |r|

OC(=O)c1cc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)[n+]([O-])c1 |r|

CS(=O)(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r|

CS(=O)(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Br)c1 |r|

Brc1cc2OCOc2cc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

OC(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c2ccccc12 |r|

[O-][N+](=O)c1cc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)cc1Cl |r|

Brc1cc(NS(=O)(=O)c2ccccc2)ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

Clc1ccc(NC(=O)c2ccn[nH]2)cc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|

O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r|

N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](Cc1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C#N |r|

Cc1ccc(cc1)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r|

COc1ccc(cc1OC)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r|

N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](Cc1ccc(cc1)-c1ccccc1F)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](Cc1ccc(cc1)-c1ccco1)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCSC1 |r|

N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC1 |r|

N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1CO |r|

N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1COCc1ccccc1 |r|

CC1(C)OCCN1C(=O)[C@@H](N)Cc1ccc(cc1)-c1ccccc1 |r|

N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCSC1 |r|

N[C@@H](Cc1ccc(cc1)-c1ccccn1)C(=O)N1CCSC1 |r|

N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)C(=O)N1CCSC1 |r|

N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(O)=O)C(=O)N1CCSC1 |r|

N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N1CCSC1 |r|

N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCSC1 |r|

N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCSC1 |r|

N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCSC1 |r|

N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCSC1 |r|

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCSC1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nccn2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nncn2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccn2ncnc2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nccn2n1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nc(C)nn2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1C |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(C)c2ncnn2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2ncnc2c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|

N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1ccc(F)c(F)c1 |r|

CCc1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1ccc(F)c(F)c1 |r|

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(F)c(F)c1 |r|

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CC(=O)N1CCn2c(CC(F)(F)F)nnc2C1)Cc1cc(F)ccc1F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)c1 |r|

CCOC(=O)Cn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

CCOC(=O)C(F)(F)n1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(c1)-c1ccc(F)cc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1C |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(Br)c(=O)n(C)c1C |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)c(=O)n(C)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(Br)c(=O)n(C)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1C |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1CO |r|

COc1cc(=O)n(C)cc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)c(Cl)c1F |r|

CCOC(=O)Nc1c(F)c(=O)n(C)cc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CCSC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CCC(F)CC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|

[NH3+][C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

[NH3+][C@@H]([C@@H](CO)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

CN(C)C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

[NH3+][C@@H]([C@@H](CN1CCCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

[NH3+][C@@H]([C@@H](C(O)=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

COC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CNC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

[NH3+][C@@H]([C@@H](c1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

CCNC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CC(C)NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

[NH3+][C@@H]([C@@H](C(=O)NC1CC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

[NH3+][C@@H]([C@@H](C(=O)NCCO)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

[NH3+][C@@H]([C@@H](C(=O)Nc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

CCN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CCN(CC)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

[NH3+][C@@H]([C@@H](C(=O)N1CCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

[NH3+][C@@H]([C@@H](C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|

CON(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCSC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCS(=O)(=O)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC[C@H]1C#N)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCOCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1F |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)c(F)c1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)ccc1F |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C#N |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccnc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccncc1 |r|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)[C@H](N)C(=O)N1CC[C@H](F)C1 |r,wU:4.7,19.21,1.0,wD:1.1,26.28,(1.34,.92,;-.05,.24,;-.05,1.79,;-1.38,2.56,;-2.72,1.79,;-2.72,.24,;-1.38,-.53,;-4.05,2.56,;-5.38,1.78,;-6.47,.7,;-4.29,.7,;-6.72,2.55,;-6.72,4.1,;-8.05,4.87,;-9.38,4.1,;-10.72,4.87,;-9.38,2.55,;-8.05,1.78,;-8.05,.24,;1.29,-.53,;1.29,-2.07,;2.62,.24,;2.62,1.78,;3.95,-.53,;5.2,.38,;6.44,-.53,;5.97,-1.99,;6.87,-3.24,;4.43,-1.99,)|

CC[C@H](C)[C@H](N)C(=O)N1CCSC1 |r|

CC[C@@H](C)[C@H](N)C(=O)N1CCSC1 |r|

C[C@H]([C@H](N)C(=O)N1CCSC1)c1ccccc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccccc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccccc1F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1Cl |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1C(F)(F)F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cccc(F)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cccc(Cl)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cc(F)cc(F)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)c(F)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)c(Cl)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Br)cc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1 |r|

CSc1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)C(F)(F)F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)S(C)(=O)=O |r|

COc1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(c(F)c1)-c1ccccc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N1CCCCC1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-n1cccn1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1nccs1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccn1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccnc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccncc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cncnc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1Cl |r|

COc1ccccc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1C |r|

CCOC(=O)c1cccc(c1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C(O)=O |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(NS(=O)(=O)C(F)(F)F)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C(N)=O |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|

COc1ccc(cc1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(C)cc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1 |r|

CCOC(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)cc(F)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)ccc1F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)c(F)c1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1F |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-n1cnnn1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnco1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1n[nH]c(=O)[nH]1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1c[nH]c(=O)[nH]1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnc[nH]1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1noc(n1)C1CC1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nc(=O)o[nH]1 |r|

CC(C)(C=C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

CCC(CC)(C=C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCC1)C=C |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCC1)C=C |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCC1)C=C |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCCC1)C=C |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCOCC1)C=C |r|

CCC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

CCC(CC)(CC)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

CCC1(CCCC1)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

CCC1(CCOCC1)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCC1 |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCC1 |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCCC1 |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCC1)C(O)CO |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:19.20.18,17:18:16.15.21:13,15:14:16.21.17:20|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:15:16:21:20.13.14,THB:17:16:13:20.21.18,17:18:16.15.22:13,19:18:16.15.22:13,15:14:16.22.17:21|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:21:14:23:18.22.19,21:19:14.15.13:23,20:19:14.15.13:23,17:16:14.13.21:22,15:16:14.13.21:22,THB:15:14:22:18.23.16|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(F)(C3)C1)C2 |r,TLB:15:16:14.20.13:21,THB:17:16:13:20.21.18,17:18:16.15.22:13,19:18:16.15.22:13,15:14:16.22.17:21|

c1ccc(cc1)C2(CCCC2)CN

NCC(N1CCOCC1)c1ccccc1Cl

N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1)Cc1ccccc1 |r|

N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)Cc1ccccc1F |r|

N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1F |r|

NCc1c(N)nc(nc1-c1ccc2OCOc2c1)-c1ccccc1

NCc1c(N)nc(nc1-c1ccccc1)-c1ccccc1

Cc1ccccc1-c1nc(nc(N)c1CN)-c1ccccc1

Cc1cccc(c1)-c1nc(nc(N)c1CN)-c1ccccc1

Cc1ccc(cc1)-c1nc(nc(N)c1CN)-c1ccccc1

NCc1c(N)nc(nc1-c1ccccc1Cl)-c1ccccc1

NCc1c(N)nc(nc1-c1cccc(Cl)c1)-c1ccccc1

NCc1c(N)nc(nc1-c1ccc(Cl)cc1)-c1ccccc1

COc1ccccc1-c1nc(nc(N)c1CN)-c1ccccc1

COc1cccc(c1)-c1nc(nc(N)c1CN)-c1ccccc1

COc1ccc(cc1)-c1nc(nc(N)c1CN)-c1ccccc1

NCc1c(N)nc(nc1-c1ccccc1F)-c1ccccc1

NCc1c(N)nc(nc1-c1cccc(F)c1)-c1ccccc1

NCc1c(N)nc(nc1-c1ccc(F)cc1)-c1ccccc1

NCc1c(N)nc(nc1-c1ccccc1C(F)(F)F)-c1ccccc1

NCc1c(N)nc(nc1-c1cccc(c1)C(F)(F)F)-c1ccccc1

NCc1c(N)nc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccccc1

NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccccc1

Cc1ccccc1-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl

Cc1cccc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl

Cc1ccc(cc1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl

NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1

NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1

COc1ccccc1-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl

COc1cccc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl

COc1ccc(cc1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl

NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccccc1F

NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1cccc(F)c1

NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccc(F)cc1

NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1cccc(c1)C(F)(F)F

NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccc(cc1)C(F)(F)F

NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccc(F)c(F)c1

COc1cc(OC)cc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl

N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

CC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1 |r|

N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r|

CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1 |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)F |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1OC(F)(F)F |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1F |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)(F)F |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1Cl |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cccc(c1)C(F)(F)F |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1 |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(OC(F)(F)F)cc1 |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)C(F)(F)F |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(N)(=O)=O |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1 |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cc(Cl)cc(Cl)c1 |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1F |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1Cl |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Br)cc1Cl |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1Cl |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|

C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1F)S(C)(=O)=O |r|

C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc(o1)-c1ccc(Cl)cc1Cl |r|

C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1noc(n1)-c1ccc(Cl)cc1Cl |r|

C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nc(co1)-c1ccc(Cl)cc1Cl |r|

C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc([nH]1)-c1ccc(Cl)cc1Cl |r|

C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|

C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|

C[C@@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|

C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|

CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|

CC(C)C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|

CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CCO)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|

CS(=O)(=O)c1ccc(cc1)-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|

Cc1cc(ccc1-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1)S(C)(=O)=O |r|

CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(F)c1 |r|

N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|

OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|

O=C(CNCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N |r|

O=C(CNCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N |r|

COc1cc2CCN(Cc2cc1OC)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|

Fc1ccc2CN(CCc2c1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|

O=C(CCNCC(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|

Fc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|

CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|

O=C(CNCCC(=O)N1CCN(CC1)N1CC=CC(=C1)C#N)N1CCC[C@H]1C#N |r,c:17,19|

O=C(CNCCC(=O)N1CCN(CC1)c1nc2ccccc2s1)N1CCC[C@H]1C#N |r|

O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCc1ccccc1 |r|

[O-][N+](=O)c1ccc(CNC(=O)CCNCC(=O)N2CCC[C@H]2C#N)cc1 |r|

CCC(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|

Fc1cc(F)cc(CNC(=O)CCNCC(=O)N2CCC[C@H]2C#N)c1 |r|

CC(C)C(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|

CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|

O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCCc1ccccc1 |r|

O=C(CCNCC(=O)N1CCC[C@H]1C#N)Nc1ccccc1 |r|

O=C(CNCCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N |r|

C[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|

CC(C)[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|

CC(C)(CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|

CC(C)(CC(=O)N1CCc2cc(F)ccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|

CC(C)(CC(=O)N1CCc2cc(F)cc(F)c2C1)NCC(=O)N1CCC[C@H]1C#N |r|

CC(C)(CC(=O)N1Cc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|

CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|

[H][C@](N)(C(C)C)C(=O)N(C)CC#N |r|

[H][C@@](N)(C(=O)N(C)CC#N)C(C)(C)C |r|

[H][C@@](N)(C(=O)N(CC)CC#N)C(C)(C)C |r|

[H][C@@](N)(C(=O)N(CCCC)CC#N)C(C)(C)C |r|

[H][C@@](N)(C(=O)N(CC=C)CC#N)C(C)(C)C |r|

[H][C@@](N)(C(=O)N(CC#N)C1CC1)C(C)(C)C |r|

[H][C@@](N)(C(=O)N(CC#N)C1CCC1)C(C)(C)C |r|

[H][C@@](N)(C(=O)N(C)[C@@H](C)C#N)C(C)(C)C |r|

[H][C@@](N)(C(=O)N(C)[C@H](C)C#N)C(C)(C)C |r|

[H][C@@](N)(C(=O)N[C@@H](C)C#N)C(C)(C)C |r|

[H][C@@](N)(C(=O)NC(C)(C)C#N)C(C)(C)C |r|

[H][C@@](N)(C(=O)N[C@@H](C)C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:17:16:19:11.13.12,17:12:19:16.18.15,THB:15:16:11:13.19.14,15:14:11:16.18.17|

[H][C@@](N)(C(=O)NC(C)(C)C#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:14:15:19:18.12.13,THB:16:15:12:19.18.17,16:17:12:15.20.14,14:13:19:15.20.16|

[H][C@@](N)(C(=O)NCC#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:16:15:18:10.12.11,16:11:18:15.17.14,THB:14:15:10:12.18.13,14:13:10:15.17.16|

[H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:13:14:18:17.11.12,THB:15:14:11:18.17.16,15:16:11:14.19.13,13:12:18:14.19.15|

[H][C@@](N)(C(=O)N(CC)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:14:15:19:18.12.13,THB:16:15:12:19.18.17,16:17:12:15.20.14,14:13:19:15.20.16|

[H][C@@](N)(C(=O)N(CCC)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|

[H][C@@](N)(C(=O)N(CC=C)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|

[H][C@@](N)(C(=O)N(CC#N)C1CC1)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|

[H][C@@](N)(C(=O)N(CC#N)Cc1ccccc1)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:19:20:24:23.17.18,THB:21:20:17:24.23.22,21:22:17:20.25.19,19:18:24:20.25.21|

[H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(CC(O)(C3)C1)C2 |r,TLB:18:16:20:11.13.12,18:12:20:16.19.15,17:16:11:13.20.14,17:16:20:11.13.12,THB:15:16:11:13.20.14,15:14:11:16.19.18|

[H][C@@](N)(C(=O)N(CC)CC#N)[C@@]12CC3CC(CC(O)(C3)C1)C2 |r,TLB:18:17:12:14.21.15,18:17:21:12.14.13,19:17:21:12.14.13,19:13:21:17.20.16,THB:16:17:12:14.21.15,16:15:12:17.20.19|

[H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:18:17:11:14.21.13,13:14:20:19.11.12,THB:15:14:20:19.11.12,15:14:11:20.19.17,16:14:11:20.19.17,16:17:11:14.21.13,13:12:20:14.21.16|

O=C([C@@H]1CCCCN1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

O=C([C@@H]1CCCN1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

O=C([C@H]1CCCN1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

O=C([C@@H]1CCN1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

O=C([C@H]1NC[C@@H]2C[C@H]12)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

O=C([C@@H]1C[C@@H]2C[C@@H]2N1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

C[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

CC1(C)CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

CC[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

CC(C)[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

CC(C)(C)OC(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

CC(C)(C)OC(=O)N[C@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

O=C(N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)OCC1c2ccccc2-c2ccccc12 |r|

CC(C)(C)CC(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

Clc1ccc(cc1)S(=O)(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|

Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)ccc1C#N |r|

Cc1[nH]nc2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2n[nH]c(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)F |r|

Cn1nc2CCN(Cc2c1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2c(C1)c(nn2CC(F)(F)F)C(F)(F)F)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2nn(CC(F)(F)F)c(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

Cc1nn(c2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)-c1ccc(F)cc1 |r|

Cc1c2CN(CCc2nn1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2n[nH]c(c2C1)C(F)(F)C(F)(F)F)Cc1cc(F)ccc1F |r|

Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)C(F)(F)F |r|

Cn1nc2CCN(Cc2c1C(F)(F)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2[nH]nc(c2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|

Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)-c1ccc(F)cc1 |r|

Cn1nc2CCN(Cc2c1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2noc(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2c(C1)[nH]nc2C(F)(F)F)Cc1cc(F)ccc1F |r|

Cn1nc(c2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)F |r|

N[C@@H](CC(=O)N1CCc2c(C1)n[nH]c2C1CC1)Cc1cc(F)ccc1F |r|

Cn1nc2CN(CCc2c1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2c(C1)noc2C(F)(F)F)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCCc2n[nH]c(c12)C(F)(F)F)Cc1cc(F)ccc1F |r|

Cc1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2nc(sc2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)ccc1F |r|

CSc1ccc(cc1)-c1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

CS(=O)(=O)c1ccc(cc1)-c1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2nc(oc2C1)C1CC1)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2sc(nc2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2sc(nc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2sc(nc2C1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)ccc1F |r|

CS(=O)(=O)c1ccc(cc1)-c1nc2CN(CCc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCc2oc(nc2C1)C1CC1)Cc1cc(F)ccc1F |r|

O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCCC1)N1Cc2ccccc2C1 |r|

Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|

Clc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|

FC(F)(F)c1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|

Cc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|

Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|

O=C(Nc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|

O=C(NCc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|

O=C(NCCc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|

O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)N1Cc2ccccc2C1 |r|

F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1 |r|

F[C@@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1 |r|

FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1 |r|

O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|

CC1(C)N[C@@H](C[C@@H]1C(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|

N[C@@H](C1CCCCC1)C(=O)N1CCc2ccccc2C1 |r|

N[C@@H](C1CCCCC1)C(=O)N1CCc2ccccc2C1C#N |r|

N[C@H](C(=O)N1CCc2ccccc2C1)c1ccccc1 |r|

Fc1ccc(cc1F)N1CCc2ccccc2C1

O=C(C1CCCN1)N1CCc2ccccc2C1

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 |r|

N[C@@H](C1CCCCC1)C(=O)N1CCCCC1 |r|

N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|

N[C@@H](C1CCCCC1)C(=O)N1Cc2ccccc2C1 |r|

NC(CC(=O)N1CCc2ccccc2C1)C(=O)N1Cc2ccccc2C1

COc1cc2CCN(Cc2cc1OC)C(=O)CC(N)C(=O)N1Cc2ccccc2C1

NC(CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1

F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-c1ccccc1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

[#6]-[#8]-c1ccc(-[#6]-[#7]-[#6]\[#6](F)=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)cc1

F\[#6](-[#6]-[#7]-[#6]-c1ccc(F)cc1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccn1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccc1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

[#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#7]-[#6]\[#6](F)=[#6]-1\[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1 |TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|

F\[#6](-[#6]-[#7]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

[#6]-[#8]-c1ccc(-[#6]-[#7]-[#6]\[#6](F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1

F\[#6](-[#6]-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-c1ccc(F)cc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-c1cccc(c1)C(F)(F)F)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1

[#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#7]-[#6]\[#6](F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1

[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

[#6](-[#7]-[#6]-c1ccccc1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

[#6](-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1

O=C(CNC1CCCCC1)N1CCCC1

O=C(CNCc1ccccc1)N1CCCC1

O=C(CNCc1ccc2OCOc2c1)N1CCCC1

S=C(CNC1CCCCC1)N1CCCC1

S=C(CNCc1ccccc1)N1CCCC1

S=C(CNCc1ccc2OCOc2c1)N1CCCC1

[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1

[#6](-[#7]-[#6]-c1ccccc1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1

[#6](-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1

O=C(CNC1CCCCC1)N1CCCCC1

O=C(CNCc1ccccc1)N1CCCCC1

O=C(CNCc1ccc2OCOc2c1)N1CCCCC1

O=C(CNC1CCN(Cc2ccccc2)CC1)N1CCCCC1

S=C(CNC1CCCCC1)N1CCCCC1

S=C(CNCc1ccccc1)N1CCCCC1

S=C(CNCc1ccc2OCOc2c1)N1CCCCC1

F\C(CNCCc1ccccc1)=C1\CCCC1C#N

F\C(CNC12CC3CC(CC(C3)C1)C2)=C1\CCCC1C#N |TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|

F\C(CNCc1ccc(F)cc1)=C1\CCCC1C#N

F\C(CNCCc1ccccc1)=C1/CCCC1C#N

F\C(CNC12CC3CC(CC(C3)C1)C2)=C1/CCCC1C#N |TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|

F\C(CNCc1ccc(F)cc1)=C1/CCCC1C#N

O=C(CNCCc1ccccc1)N1CCC[C@H]1C#N |r|

O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1C#N |r,TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|

Fc1ccc(CNCC(=O)N2CCC[C@H]2C#N)cc1 |r|

CC(C)C[C@H](N)C(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

CC(C)C[C@H](N)C(=O)N1[C@@H](C)CC[C@H]1C#N |r|

C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1 |r|

N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C=C |r|

N[C@@H](C1CCCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

N[C@H](C1CCCCC1)C(=O)N1[C@@H](CC[C@H]1C#N)C#C |r|

CCC(C)[C@@H](N)C(=O)N1[C@@H](CC[C@H]1c1ccccc1)C#N |r|

O=C(CNC1CCCC1)N1[C@H](CC[C@H]1C#N)C#C |r|

O=C(CNC1CCCCC1)N1[C@H](CC[C@H]1C#N)C#C |r|

O[C@H]1CC[C@@H](CC1)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r,wU:15.17,12.19,1.0,wD:4.7,(-12.23,6.57,;-10.92,5.77,;-9.56,6.51,;-8.25,5.7,;-8.29,4.16,;-9.64,3.43,;-10.96,4.23,;-6.95,3.39,;-5.62,4.16,;-4.29,3.39,;-4.29,1.85,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,;-3.03,6.87,;-3.8,8.2,)|

O=C(CN[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1[C@H](CC[C@H]1C#N)C#C |r,wU:23.26,20.28,7.10,wD:4.3,(-4.29,1.85,;-4.29,3.39,;-5.62,4.16,;-6.95,3.39,;-8.29,4.16,;-8.25,5.7,;-9.56,6.51,;-10.92,5.77,;-10.96,4.23,;-9.64,3.43,;-12.23,6.57,;-13.72,6.17,;-14.35,4.77,;-15.88,4.61,;-16.78,5.86,;-16.15,7.26,;-14.62,7.42,;-18.27,5.46,;-19.76,5.06,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,;-3.03,6.87,;-3.8,8.2,)|

CC(C)(C)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1 |r|

CC#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1 |r|

OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r,TLB:6:1:9:5.4.7,THB:7:5:2:9.10.8,7:8:2:5.4.6,6:5:9:10.2.1,0:1:9:5.4.7|

O=C(CNC1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r,wU:23.26,wD:7.10,(-4.29,1.85,;-4.29,3.39,;-5.62,4.16,;-6.95,3.39,;-8.29,4.16,;-9.64,3.43,;-10.96,4.23,;-10.92,5.77,;-9.56,6.51,;-8.25,5.7,;-12.23,6.57,;-13.72,6.17,;-14.36,4.77,;-15.89,4.63,;-16.79,5.88,;-16.14,7.28,;-14.61,7.43,;-18.27,5.48,;-19.76,5.09,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,)|

CC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|

O=C(CNC1CCCC1)N1CCC[C@H]1C#N |r|

CC1(CCN(CC1)c1ccc(cn1)C#N)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

CC1(CCN(CC1)c1ccc(cn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|

N[C@H]1CC=CC[C@@H]1c1ccccc1Cl |r,c:3|

[NH3+][C@H]1CC(=CC[C@@H]1c1ccccc1Cl)c1ccccc1 |r,c:3|

[NH3+][C@H]1CC(CN2CCC(CC2)C(O)=O)=CC[C@@H]1c1ccc(Cl)cc1Cl |r,c:14|

[NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16|

NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|

NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|

NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11|

[NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3|

C[C@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

C[C@H]1N(CNC1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

C[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@@H]1N(CCCNC1=O)C(=O)C[C@@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1N(CCCNC1=O)C(=O)C[C@@H](N)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CC(=O)N1CCCNC(=O)C1)Cc1cc(F)c(F)cc1F |r|

CC[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1CC(F)(F)F)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccn1)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cn1cccn1)Cc1cc(F)c(F)cc1F |r|

CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O

Cn1ncc2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O

CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3Cl)c2C1=O

CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C(F)(F)F)c2C1=O

CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3OC(F)(F)F)c2C1=O

Cn1ncc2nc(N3CCCC(N)C3)n(Cc3cccc(c3)C#N)c2c1=O

Cn1ncc2nc(N3CCCC(N)C3)n(Cc3cccc(CC#N)c3)c2c1=O

NC1CCCN(C1)c1nc2C(=O)N(Cc3ccccc3)C(=O)c2n1Cc1ccccc1C#N

NC1CCCN(C1)c1nc2c(C(=O)c3ccccc3C2=O)n1Cc1ccccc1C(F)(F)F

COc1ccc2nc(N3CCCC(N)C3)n(Cc3ccccc3C(F)(F)F)c2c1F

NC1CCCN(C1)c1nc2ccc[n+]([O-])c2n1Cc1ccccc1

Cn1ncc2n(Cc3ccccc3C#N)c(nc2c1=O)N1CCCC(N)C1

CNC(=O)c1nc(N2CCCC(N)C2)n(Cc2ccccc2C#N)c1C(=O)NC

Cn1n(C)c(=O)c2n(Cc3ccccc3C#N)c(nc2c1=O)N1CCCC(N)C1

CC=CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3NC(=O)C(C)C)c(=O)c12)N1CCC[C@H](N)C1

CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1

C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccccc1 |r|

C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)cc1 |r|

C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)c(F)c1 |r|

C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccccc1F |r|

C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(Cl)cc1 |r|

CC(CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(C)cc1

C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccsc1 |r|

C[C@H](COc1ccc(cc1)C(N)=O)NCC(=O)c1ccsc1 |r|

NC(=O)c1ccc(OCC2(CCCC2)NCC(=O)c2ccsc2)cc1

N[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl |r|

CC(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|

Cc1ccc(cc1)S(=O)(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|

CCNC(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|

N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)NCc1cccc(F)c1 |r|

CCN(C)C(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|

COc1cccc(CN(C)C(=O)N2C[C@H](N)[C@H](C2)c2ccc(Cl)cc2Cl)c1 |r|

CCOC(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|

Cc1cccc(COC(=O)N2C[C@H](N)[C@H](C2)c2ccc(Cl)cc2Cl)n1 |r|

N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 |r|

N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccn1 |r|

N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ncccn1 |r|

COc1ccc(cc1)-c1cnc(nc1)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|

N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1nccc(n1)-c1ccccc1 |r|

N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1nccc(n1)-c1ccsc1 |r|

N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ccnc(n1)-c1ccsc1 |r|

N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1cc(ncn1)-c1ccsc1 |r|

N[C@H]1CN(C[C@@H]1c1ccc(F)cc1Cl)c1cc(ncn1)-c1ccsc1 |r|

N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1Cl)c1cc(ncn1)-c1ccsc1 |r|

N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccsc1 |r|

N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r|

N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)C(O)=O |r|

N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccc(cc1)C(O)=O |r|

CN(C)C(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|

N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)S(=O)(=O)N1CCOCC1 |r|

CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|

CS(=O)(=O)c1cc(F)cc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|

CS(=O)(=O)c1cccc(c1)-c1ncnc(n1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|

O=C(NC[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)c1cscn1

N[C@H]1CN(C(=O)C[C@@H]1c1ccccc1Cl)c1ccccc1 |r|

N[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1ccccc1Cl |r|

N[C@H]1CN(CC2CCCCC2)C(=O)C[C@@H]1c1ccccc1Cl |r|

N[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|

N[C@H]1CN(CCc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|

N[C@H]1CN(CCCc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|

C[C@H](CN1C[C@H](N)[C@H](CC1=O)c1cc(F)c(F)cc1F)c1ccccc1 |r|

N[C@H]1CN(CCN2CCOCC2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|

N[C@H]1CN(CCc2ccncc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|

N[C@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|

N[C@@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@H]1c1cc(F)c(F)cc1F |r|

CS(=O)(=O)c1ccc(CCN2C[C@H](N)[C@H](CC2=O)c2cc(F)c(F)cc2F)cc1 |r|

CS(=O)(=O)c1cccc(CCN2C[C@H](N)[C@H](CC2=O)c2cc(F)c(F)cc2F)c1 |r|

N[C@H]1CN(CCc2cccc(c2)C(O)=O)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1 |r|

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r|

CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|

CS(=O)(=O)c1cccc(c1)-c1ncnc(n1)N1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCCC1 |r|

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCCCC1 |r|

CCN(CC)c1cc(ncn1)N1CC[C@H]([C@H](N)C1)c1cc(F)c(F)cc1F |r|

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCC(F)(F)C1 |r|

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CC[C@@H](O)C1 |r|

N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCn2cc(nc2C1)C(F)(F)F |r|

CCN1CCCN([C@H](C)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

COC(=O)CN1CCCN([C@H](C)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

C[C@H]1N(CCCN(CC(O)=O)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

C[C@H]1N(CCCN(C2CC2)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|

C[C@H]1N(CCCN(C)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1N(CCCN(CCO)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1N(CCCN(CCOCc2ccccc2)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1N(CCCN(CC(F)(F)F)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1N(CCCN(C2CC2)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1N(CCCN(C1=O)C(C)(C)C)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

CC1CCNC(=O)CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1CNC(=O)[C@@H](C)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@@H]1CNC(=O)[C@@H](C)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@@H]1CCN([C@H](C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1CCN([C@H](C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

CC[C@H]1N(C[C@@H](C)CNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

CC[C@H]1N(C[C@H](C)CNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1CNC(=O)[C@@H](CC(F)(F)F)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@@H]1CNC(=O)[C@@H](CC(F)(F)F)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1N(CC(C)(C)CNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@@H]1CCN([C@H](CC(F)(F)F)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@@H]1CCN([C@H](Cc2ccccc2C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@@H]1CCN([C@H](Cc2ccccc2F)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@@H]1CCN([C@H](Cc2ccccn2)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1N(CC[C@@H](NC1=O)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

CC[C@@H]1CCN([C@H](C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H]1N(CC[C@@H](Cc2ccccc2F)NC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|

CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(O)=O |r|

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(Cl)ccc1F |r|

CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2C)cc1)C(O)=O |r|

N[C@@H](CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(CC(O)=O)cc1)Cc1ccccc1F |r|

N[C@@H](CC(=O)N1CCSC1)Cc1cc(F)c(F)cc1F |r|

COC(=O)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)cc1 |r|

F[C@H]1CCN(C1)C(=O)[C@@H]1Cc2ccc(cc2CN1)-c1cccc(c1)-c1nnn[nH]1 |r|

C[C@@H]([C@@H](C(=O)N(C)C)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |r|

N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)Cc1ccccc1F |r|

N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(F)(F)F)Cc1ccccc1F |r|

CSc1cc(F)c(C[C@@H](N)CC(=O)N2CCn3c(C2)nnc3C(F)(F)F)cc1F |r|

COc1cc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)ccc1O |r|

[H][C@]1(CCN(C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCC(F)(F)C1 |r|

N[C@@H](CC(=O)N1CCN(CC1)c1ccc(Cl)cc1)Cc1ccccc1F |r|

N[C@@H](CC(=O)N1CCn2nccc12)Cc1cc(F)ccc1F |r|

N[C@@H](CC(=O)N1CCn2cc(nc2C1c1ccc(F)cc1)C(F)(F)F)Cc1ccc(F)c(F)c1 |r|

CN(C)C(=O)[C@@H]([C@@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|

N[C@H](Cc1cc(F)c(F)cc1F)C(CC=C)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r|

N[C@@H](CC(=O)N1CCN(CC1)C(=O)COC=C)Cc1ccccc1F |r|

N[C@@H]1CCCN(C1)c1nc2ccccc2c(=O)n1Cc1ccccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2cccc(F)c2c(=O)n1Cc1ccccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2ccc(F)cc2c(=O)n1Cc1ccccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2c(Cl)cccc2c(=O)n1Cc1ccccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2c(Cl)cc(Cl)cc2c(=O)n1Cc1ccccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1C#N |r|

COc1ccc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2c1 |r|

COc1cc2c(cc1F)nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O |r|

COc1cc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2cc1OC |r|

COc1cccc2c1nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O |r|

N[C@@H]1CCCN(C1)c1nc2cc(N3CCOCC3)c(F)cc2c(=O)n1Cc1ccccc1C#N |r|

Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|

CC[C@H](C)[C@H]([NH3+])C(=O)N1CCSC1 |r|

CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCSC1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)S(=O)(=O)c1ccc(C)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(C)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(F)cc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(F)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NC(C)=O)cc1 |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NC(C)=O)cc1 |r|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(C)=O |r|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(C)=O |r|

[NH3+][C@@H](C1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CC[C@H](F)C1 |r,wU:1.0,wD:25.27,(-1.19,3.31,;-1.19,4.85,;-2.52,5.62,;-2.52,7.16,;-3.86,7.93,;-5.19,7.16,;-5.19,5.62,;-3.86,4.85,;-6.53,7.93,;-7.86,7.16,;-8.63,5.83,;-7.09,5.83,;-9.19,7.93,;-10.53,7.16,;-11.86,7.93,;-11.86,9.47,;-13.19,10.24,;-10.53,10.24,;-9.19,9.47,;-7.86,10.24,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,)|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1F |r,wU:6.6,wD:13.13,5.4,(-5.19,7.16,;-3.86,7.93,;-3.86,9.47,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-14.53,.23,;-13.19,2.54,;-11.86,3.31,;-11.86,4.85,)|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1F |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-14.53,.23,;-13.19,2.54,;-11.86,3.31,;-11.86,4.85,)|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r,wU:6.6,wD:13.13,5.4,(-3.86,9.47,;-3.86,7.93,;-5.19,7.16,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-11.86,3.31,;-13.19,2.54,;-13.19,1,;-14.53,.23,;-14.53,-1.31,;-15.86,-2.08,;-14.53,-2.85,;-13.19,-2.08,;-11.86,.23,;-10.53,1,)|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-11.86,3.31,;-13.19,2.54,;-13.19,1,;-14.53,.23,;-14.53,-1.31,;-15.86,-2.08,;-14.53,-2.85,;-13.19,-2.08,;-11.86,.23,;-10.53,1,)|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)c1cccc(F)c1 |r,wU:6.6,wD:13.13,5.4,(-3.86,9.47,;-3.86,7.93,;-5.19,7.16,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-9.19,4.85,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-13.19,2.54,;-14.53,3.31,;-11.86,3.31,)|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)c1cccc(F)c1 |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-9.19,4.85,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-13.19,2.54,;-14.53,3.31,;-11.86,3.31,)|

COc1ccc(cc1)C(=O)NC1CCC(CC1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r,wU:19.21,wD:26.28,17.19,(-14.53,-1.31,;-14.53,.23,;-13.19,1,;-13.19,2.54,;-11.86,3.31,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-9.19,3.31,;-9.19,4.85,;-7.86,2.54,;-6.53,3.31,;-6.53,4.85,;-5.19,5.62,;-3.86,4.85,;-3.86,3.31,;-5.19,2.54,;-2.52,5.62,;-2.52,7.16,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,)|

COc1ccc(cc1)C(=O)N(C)C1CCC(CC1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r,wU:20.22,wD:27.29,18.20,(-14.53,-1.31,;-14.53,.23,;-13.19,1,;-13.19,2.54,;-11.86,3.31,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-9.19,3.31,;-9.19,4.85,;-7.86,2.54,;-7.86,1,;-6.53,3.31,;-6.53,4.85,;-5.19,5.62,;-3.86,4.85,;-3.86,3.31,;-5.19,2.54,;-2.52,5.62,;-2.52,7.16,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,)|

CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O |r,wU:6.6,wD:13.13,5.4,(-3.86,9.47,;-3.86,7.93,;-5.19,7.16,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-10.53,2.54,;-9.19,4.85,)|

C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-10.53,2.54,;-9.19,4.85,)|

C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)C1CC1 |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-9.19,4.85,;-10.53,2.54,;-12.07,2.49,;-11.25,1.19,)|

N[C@H](CN1[C@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F |r|

N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F |r|

CCCc1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1C(O)C(F)(F)CCC1=O |r|

CC(C)(C)c1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1C(O)C(F)(F)CCC1=O |r|

N[C@H](CN1C(O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C1CCC1 |r|

N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccncc1 |r|

N[C@H](CN1[C@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccncc1 |r|

N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccco1 |r|

N[C@H](CN1[C@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccco1 |r|

COCCc1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1[C@@H](O)C(F)(F)CCC1=O |r|

COCCc1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1[C@H](O)C(F)(F)CCC1=O |r|

N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1cccs1 |r|

N[C@H](CN1[C@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1cccs1 |r|

N[C@H](CN1[C@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccc(F)cc1 |r|

N[C@H](CN1C(=O)CCC(F)(F)C1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F |r|

CC(C)(C)c1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1C(O)C(F)CCC1=O |r|

N[C@H](CN1C(O)C(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccco1 |r|

N[C@H](CN1C(O)C(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1cccs1 |r|

CCCc1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1C(O)C(F)CCC1=O |r|

N[C@H](CN1C(O)C(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccncc1 |r|

CC1CCC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(C2)nc(nc3C(F)(F)F)-c2cccs2)C1=O |r|

CC1CC(=O)N(C[C@@H](N)CC(=O)N2CCc3c(C2)nc(nc3C(F)(F)F)C(C)(C)C)C1=O |r|

C[C@H](N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

N[C@@H](CC(O)=O)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

NCC(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

NCCCC[C@H](N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

N[C@@H](Cc1ccccc1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

N[C@@H](CO)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

N[C@@H](C1CSCN1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

CC(C)[C@H](N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)[C@@H](N)CC1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)[C@@H](N)C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)[C@@H](N)C1CCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)CN)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)[C@@H](N)Cc1cnc[nH]1)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(C)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(C)C[C@H](N)C(=O)NC(C)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)[C@@H](N)CCCCN)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)[C@@H](N)Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)[C@@H](N)C1CCCN1)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)[C@@H](N)CO)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(C)[C@H](N)C(=O)NC(C)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(NC(=O)[C@@H](N)CC1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(CC)P(=O)(Oc1ccccc1)Oc1ccccc1

CCCC(NC(=O)[C@@H](N)CC1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

CCCC(NC(=O)[C@@H](N)C(C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1

CCCC(NC(=O)[C@@H](N)CCCCN)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(C(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(C(C)CC)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(CC(C)C)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(C(CC)CC)P(=O)(Oc1ccccc1)Oc1ccccc1

N[C@@H](CC1CCCCC1)C(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

NCC[C@H](N)C(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

N[C@@H](Cc1cnc[nH]1)C(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(CC1C=CC=C1)P(=O)(Oc1ccccc1)Oc1ccccc1 |c:12,14|

CCC(C)[C@H](N)C(=O)NC(c1ccc(cc1)C#N)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)[C@H](N)C(=O)NC(c1cccc(c1)C#N)P(=O)(Oc1ccccc1)Oc1ccccc1

O=C(CNC1CCCC1)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

O=C(CNC1CCCC1)NC(c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1

O=C(CNC1CCCCC1)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

O=C(CNCc1ccccc1)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

CCC(C)NCC(=O)NC(c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1

CC(C)CNCC(=O)NC(C1CCCCC1)P(=O)(Oc1ccccc1)Oc1ccccc1

OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N]12CC3=CC=CC=[N]3[Re+]1[N]1=C(C2)C=CC=C1 |c:24,26,31,35,37,t:22|

OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N@@]12CC(=O)O[Re]1[N]1=C(C2)C=CC=C1 |r,c:27,31,33|

CN1C=C[N]2=C1C[N]1(CCCCCC(=O)NCC(=O)N3CCCC3B(O)O)CC3=[N](C=CN3C)[Re+]21 |c:2,4,32,t:30|

FC1CCN(C1)C(=O)C1CCCN1

FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCN(CC1)c1ccccn1

FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCN(CC1)c1ncccn1

FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCCCCC1

FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCCCC1

FC1CCN(C1)C(=O)C1CCCN1CC(=O)N1CCCC1

FC1CCN(C1)C(=O)C1CCCN1CCN1CCCCC1

CCN(CC)CCN1CCCC1C(=O)N1CCC(F)C1

CN(C)CCN1CCCC1C(=O)N1CCC(F)C1

CCC(C)[C@H](N)C(=O)N1CCSC1 |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1COC([C@@H](N)C1)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1COC([C@@H](N)C1)c1cc(F)c(F)cc1F |r|

N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1 |r|

N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1 |r|

N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1 |r|

N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1 |r|

N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CC1 |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CCCC1 |r|

CC#CCn1c(nc2N3CCN=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|

CC#CCn1c(nc2N3CCN=C3N(Cc3ccc(cc3)[N+]#[C-])C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4cc(F)ccc4F)c3C2=O)nc2ccccc12 |r,t:6|

Cc1nc(CN2C(=O)c3c(nc(N4CCC[C@@H](N)C4)n3Cc3cc(F)ccc3C#N)N3CCCN=C23)nc2ccccc12 |r,t:37|

CC#CCn1c(nc2N3CCCN=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(C)c3C2=O)nc2ccccc12 |r,t:6|

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2-[#7]-3-[#6]-[#6]-[#7]=[#6]-3-[#7](-[#6]-c3nc(-[#6])c4ccccc4n3)-[#6](=O)-c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r,c:12|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4cccc(F)c4)c3C2=O)nc2ccccc12 |r,t:6|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4)c3C2=O)nc2ccccc12 |r,t:6|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(CC4CC4)c3C2=O)nc2ccccc12 |r,t:6|

COc1ccc(CN2C(=O)c3c(nc(N4CCC[C@@H](N)C4)n3CC#CC)N3CCCN=C23)cc1 |r,t:32|

CC#CCn1c(nc2N3CCCN=C3NC(=O)c12)N1CCC[C@@H](N)C1 |r,c:12|

CC#CCn1c(nc2N3CCCN=C3N(Cc3cccc4ccccc34)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12|

CC#CCn1c(nc2N3CCN=C3N(Cc3nccc(n3)C#N)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|

CC#CCn1c(nc2N3CCN=C3N(Cc3ccccc3C#N)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4sccc4F)c3C2=O)nc2ccccc12 |r,t:6|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(CC4CC4(F)F)c3C2=O)nc2ccccc12 |r,t:6|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(CC4CCC4)c3C2=O)nc2ccccc12 |r,t:6|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4C#N)c3C2=O)nc2ccccc12 |r,t:6|

CC#CCn1c(nc2N3C[C@H](C)N=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12|

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(NCc4ccccc4)c4ccccc4n3)c(=O)c12)N1CCCC(C1)NC(=O)OC(C)(C)C

CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(cc4ccccc34)C#N)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(nc4ccccc34)-c3ccccc3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C

CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(C#N)c4ccccc4n3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C

CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3cccc(OC4CC4)c3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C

CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc4nc(C)c(C)nc4c3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C

CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3Br)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4ccccc4c(C)c3C#N)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C

CC#CCn1c(nc2n(C)c(=O)n(Cc3nccc(n3)-c3ccccc3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C

CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3[N+]([O-])=O)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CNC([C@@H](N)C1)c1cc(F)ccc1F |r|

N[C@H]1C[C@H](CNC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1 |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(CC(N)=O)C1)c1cc(F)ccc1F |r|

N[C@H]1C[C@H](CN(CC(=O)N2CC[C@@H](F)C2)C1c1cc(F)ccc1F)N1Cc2cn[nH]c2C1 |r|

CN1C[C@@H](C[C@H](N)C1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(C)(=O)=O |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(C1)C(=O)C(F)(F)F)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(CCO)C1)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(CC2CC2)C1)c1cc(F)ccc1F |r|

C[C@H](F)CN1C[C@@H](C[C@H](N)C1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(C)(=O)=O |r|

N[C@H]1C[C@H](CN(CCN2CCC(F)(F)C2)C1c1cc(F)ccc1F)N1Cc2cn[nH]c2C1 |r|

Cn1cc(CCN2C[C@@H](C[C@H](N)C2c2cc(F)ccc2F)N2Cc3cn[nH]c3C2)cn1 |r|

N[C@H]1C[C@H](CN(Cc2cnccn2)C1c1cc(F)ccc1F)N1Cc2cn[nH]c2C1 |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(Cc2cncnc2)C1)c1cc(F)ccc1F |r|

N[C@H]1C[C@H](CN(Cc2cn[nH]c2)C1c1cc(F)ccc1F)N1Cc2cn[nH]c2C1 |r|

CS(=O)(=O)N1C[C@H](C[C@H](N)C1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(C)(=O)=O |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1C[C@H](N)C(N(Cc2cn[nH]c2)C1)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1C[C@H](N)C(N(Cc2cncc3cccnc23)C1)c1cc(F)ccc1F |r|

COc1cc2CCN(CCNCC(=O)Nc3ccccc3)Cc2cc1OC

COc1cc2CCN(CCNCC(=O)Nc3ccc(F)cc3)Cc2cc1OC

COc1cc2CCN(CCNCC(=O)Nc3ccc(Cl)cc3)Cc2cc1OC

COc1cc2CCN(CCNCC(=O)Nc3ccc(F)c(Cl)c3)Cc2cc1OC

COc1cc2CCN(CCNCC(=O)Nc3ccc(cc3)C#N)Cc2cc1OC

COc1cc2CCN(CCNCC(=O)Nc3ccc(Cl)cc3Cl)Cc2cc1OC

COc1cc2CCN(CCNCC(=O)Nc3cccc(C)c3)Cc2cc1OC

COc1cc2CCN(Cc2cc1OC)C(=O)CNCC(=O)Nc1ccccc1

COc1cc2CCN(Cc2cc1OC)C(=O)CNCC(=O)Nc1ccc(F)cc1

COc1cc2CCN(Cc2cc1OC)C(=O)CNCC(=O)Nc1ccc(Cl)cc1

COc1cc2CCN(Cc2cc1OC)C(=O)CNCC(=O)Nc1ccc(F)c(Cl)c1

COc1cc2CCN(Cc2cc1OC)C(=O)CNCC(=O)Nc1ccc(cc1)C#N

COc1cc2CCN(Cc2cc1OC)C(=O)CNCC(=O)Nc1ccc(Cl)cc1Cl

COc1cc2CCN(Cc2cc1OC)C(=O)CNCC(=O)Nc1cccc(C)c1

CCOC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-9.34,-.68,;-8.61,.68,;-7.07,.72,;-6.34,2.08,;-7.15,3.39,;-4.8,2.13,;-3.86,.91,;-2.41,1.43,;-1.06,.7,;.25,1.51,;1.61,.79,;2.92,1.59,;.2,3.06,;1.51,3.87,;-1.16,3.77,;-2.46,2.96,;-3.93,3.4,;-1.01,-.83,;-2.32,-1.64,;-2.28,-3.18,;-.92,-3.91,;-.87,-5.44,;.4,-3.09,;.34,-1.55,;1.65,-.74,)|

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1

CC#CCn1c(nc2c(C)nn(Cc3cc4ccccc4c(C)n3)c(=O)c12)N1CCCC(N)C1

O[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:6:1:9:5.7.4,0:1:9.8.7:4,THB:10:1:9.8.7:4,6:5:9:1.2.10|

C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1 |r|

CC(C)Cc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN

N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1CCn2c(C1)nnc2C(F)(F)F

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(Cl)cc1Cl

N[C@H]1CN(CCC1c1cc(F)c(F)cc1F)c1ccn2cnnc2n1 |r|

CC(C)[C@@H](Oc1ccc(CNC(=O)C[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2C)cc1)C(O)=O |r|

CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN

CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C(N)=O

C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1F |r|

CC(C)(CO)NCC(=O)N1C(CCC1C#N)C#N

N[C@@H](CC(=O)N1CCSC1)Cc1ccccc1

CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)C2CCCCC2)cc1)C(O)=O |r|

Cn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O

C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1C(F)(F)F |r|

CN1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F

CN(C)C(=O)N1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F

CC(C)(F)C(=O)N1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F

NC(CC(=O)N1CCC2CN(CC12)C(=O)C1CC1)Cc1cc(F)c(F)cc1F

NC(CC(=O)N1CCC2CN(CC12)C(=O)C1(CC1)C#N)Cc1cc(F)c(F)cc1F

CC(C)(C)C(=O)N1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F

CS(=O)(=O)c1cccc(c1)C(=O)N1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F

OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCCC1C#N |TLB:11:8:4:2.1.6,THB:10:8:4:2.1.6,10:1:4:8.7.9,7:8:2:4.5.6,7:5:2:8.10.9|

c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N

N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2c[nH]nc2C1 |r|

N[C@H]1C[C@H](CSC1c1cc(F)cc(F)c1F)N1Cc2c[nH]nc2C1 |r|

N[C@H]1C[C@H](CS(=O)C1c1cc(F)cc(F)c1F)N1Cc2c[nH]nc2C1 |r|

N[C@H]1C[C@H](CS(=O)(=O)C1c1cc(F)cc(F)c1F)N1Cc2c[nH]nc2C1 |r|

CC(C)(O)Cn1cc2CN(Cc2n1)[C@H]1CSC([C@@H](N)C1)c1cc(F)cc(F)c1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CSC([C@@H](N)C1)c1cc(F)cc(F)c1F |r|

CC(C)(F)Cn1cc2CN(Cc2n1)[C@H]1CSC([C@@H](N)C1)c1cc(F)cc(F)c1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CSC([C@@H](N)C1)c1cc(F)ccc1F |r|

N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2n[nH]c(C(N)=O)c2C1 |r|

N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2n[nH]c(C#N)c2C1 |r|

N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2nc([nH]c2C1)C(F)(F)F |r|

N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2cnc(nc2C1)C(F)(F)F |r|

N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2nc([nH]c2C1)-c1ccccc1 |r|

N[C@H]1C[C@H](CSC1c1cc(F)cc(F)c1F)N1Cc2cn(CC(N)=O)nc2C1 |r|

Cc1nc2CN(Cc2[nH]1)[C@H]1CSC([C@@H](N)C1)c1cc(F)ccc1F |r|

Cc1nc2CN(Cc2o1)[C@H]1CSC([C@@H](N)C1)c1cc(F)ccc1F |r|

Cn1c2nccc2c(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O |r|

Cn1c2nccc2c(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|

Cn1c2nccc2c(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2F)c1=O |r|

Cn1c2nccc2c(N2CCC[C@@H](N)C2)n(Cc2cccc(F)c2)c1=O |r|

Cn1c2nc(Cl)cc2c(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O |r|

Cn1c2ncnc2c(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|

Cn1c2nc(cc2c(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O)C#N |r|

Cc1nc(Cn2c3nccc3c(N3CCCC(N)C3)n(Cc3cc(F)ccc3C#N)c2=O)nc2ccccc12

C[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](N)C(=O)N[C@@H](C)B(O)O |r|

CC(C)[C@H](N)C(=S)N[C@@H](C)B(O)O |r|

C[C@H](N)C(=O)N[C@@H](C)B(O)O |r|

C[C@H](N)C(=S)N[C@@H](C)B(O)O |r|

CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|

N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O |r|

NCC(=O)N1CCC[C@H]1B(O)O |r|

NCC(=S)N1CCC[C@H]1B(O)O |r|

OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 |r,TLB:22:12:20:16.15.17,11:12:20.14.15:17,THB:22:16:20:12.13.21,13:12:20.14.15:17,13:14:12.22.21:17|

OB(O)[C@@H]1CCCN1C(=S)CNC12CC3CC(CC(O)(C3)C1)C2 |r,TLB:11:12:20.14.15:17,22:12:20:16.15.17,THB:13:12:20.14.15:17,13:14:12.22.21:17,22:16:20:12.13.21|

OB(O)[C@@H]1CCCN1C(=O)CNCc1ccccc1 |r|

OB(O)[C@@H]1CCCN1C(=S)CNCc1ccccc1 |r|

N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|

N[C@@H](CC(O)=O)C(=S)N1CCC[C@H]1B(O)O |r|

N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1B(O)O |r|

N[C@@H](CCC(O)=O)C(=S)N1CCC[C@H]1B(O)O |r|

CCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

CCC[C@H](N)C(=S)N1CCC[C@H]1B(O)O |r|

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1B(O)O |r|

N[C@@H](Cc1c[nH]c2ccccc12)C(=S)N1CCC[C@H]1B(O)O |r|

N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1B(O)O |r|

N[C@@H](CCCNC(N)=N)C(=S)N1CCC[C@H]1B(O)O |r|

OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1

OB(O)[C@@H]1CCCN1C(=S)[C@@H]1CCCN1 |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

N[C@H]1C[C@H](CCO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)-c1ncccn1 |r|

N[C@H]1C[C@H](CCO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)-c1ccccc1 |r|

N[C@H]1C[C@H](CCO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(C#N)c2C1 |r|

N[C@H]1C[C@H](CCO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(C(N)=O)c2C1 |r|

N[C@H]1C[C@H](CCO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1 |r|

Cc1c2CN(Cc2nn1S(=O)(=O)C1(C)CC1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|

N[C@H]1C[C@H](CCO[C@@H]1c1cc(F)ccc1F)N1Cc2cnc(nc2C1)C1CC1 |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCS[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

CC(C)(O)Cn1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

N[C@H]1C[C@H](CCO[C@@H]1c1cc(F)ccc1F)N1Cc2cnn(c2C1)-c1ccc(cn1)C(F)(F)F |r|

CC1(CC1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CCO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

O=C(CN1CCN(CC1)c1ccccn1)N1CCSC1

Clc1cccc(c1)N1CCN(CC(=O)N2CCCCC2)CC1

Clc1ccc2c(ccnc2c1)N1CCN(CC(=O)N2CCCC2)CC1

Clc1ccc2c(ccnc2c1)N1CCN(CC(=O)N2CCOCC2)CC1

CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O

CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c1c2=O |r|

CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3F)c1c2=O |r|

CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C(F)(F)F)c1c2=O |r|

CC#CCn1c(nc2nc3N(C)C(=O)Cn3c(=O)c12)N1CCC[C@@H](N)C1 |r|

CCN1C(=O)Cn2c1nc1nc(N3CCC[C@H](C3)NC(=O)OC(C)(C)C)n(Cc3cc(F)ccc3C#N)c1c2=O |r|

CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3F)c1c2=O |r|

CCN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C(F)(F)F)c1c2=O |r|

OC(CNCC(=O)N1CCCC1C#N)COc1ccccc1

NC(C1CCCCC1)C(=O)N1CCCC1C#N

CC(C)[C@@H](C(=O)N1CCCC1)N

CCC(C)C(N)C(=O)N1CCCC1

OC(CNCC(=O)N1CCCC1)COc1ccccc1

CC(C)C(NCC(O)COc1ccccc1)C(=O)N1CCCC1

CCC(C)C(NCC(O)COc1ccccc1)C(=O)N1CCCC1

Cc1ccc(cc1)S(=O)(=O)N=S(C)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

C[C@@]1(CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F)N1Cc2c[nH]nc2C1 |r|

C[C@@]1(CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(C)(=O)=O |r|

C[C@@]1(CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)NC(=O)OCc1ccccc1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4cc(F)ccc4s3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4ccccc4s3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4cc(Cl)ccc4s3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

N[C@H]1C[C@H](COC1c1cc(F)c(F)cc1F)N1Cc2cnn(c2C1)S(=O)(=O)C1CCCC1 |r|

N(C1N(\N=C\c2ccccc2)C(=Nc2ccccc12)c1ccccc1)c1nccs1 |c:12|

[O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)c1 |c:26|

COc1ccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)cc1 |c:24|

CN(C)c1ccc(\C=N\N2C(Nc3nccs3)c3ccccc3N=C2c2ccccc2)cc1 |c:25|

COc1ccccc1\C=N\N1C(Nc2nccs2)c2ccccc2N=C1c1ccccc1 |c:27|

Ic1ccc2N=C(N(\N=C\c3ccccc3)C(Nc3nccs3)c2c1)c1ccccc1 |c:5|

[O-][N+](=O)c1cccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)c1 |c:27|

COc1ccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)cc1 |c:25|

CN(C)c1ccc(\C=N\N2C(Nc3nccs3)c3cc(I)ccc3N=C2c2ccccc2)cc1 |c:26|

COc1ccccc1\C=N\N1C(Nc2nccs2)c2cc(I)ccc2N=C1c1ccccc1 |c:28|

Cc1csc(NC2N(\N=C\c3ccccc3)C(=Nc3ccccc23)c2ccccc2)n1 |c:17|

Cc1csc(NC2N(\N=C\c3cccc(c3)[N+]([O-])=O)C(=Nc3ccccc23)c2ccccc2)n1 |c:20|

COc1ccc(\C=N\N2C(Nc3nc(C)cs3)c3ccccc3N=C2c2ccccc2)cc1 |c:25|

CN(C)c1ccc(\C=N\N2C(Nc3nc(C)cs3)c3ccccc3N=C2c2ccccc2)cc1 |c:26|

COc1ccccc1\C=N\N1C(Nc2nc(C)cs2)c2ccccc2N=C1c1ccccc1 |c:28|

Cc1csc(NC2N(\N=C\c3ccccc3)C(=Nc3ccc(I)cc23)c2ccccc2)n1 |c:17|

Cc1csc(NC2N(\N=C\c3cccc(c3)[N+]([O-])=O)C(=Nc3ccc(I)cc23)c2ccccc2)n1 |c:20|

COc1ccc(\C=N\N2C(Nc3nc(C)cs3)c3cc(I)ccc3N=C2c2ccccc2)cc1 |c:26|

CN(C)c1ccc(\C=N\N2C(Nc3nc(C)cs3)c3cc(I)ccc3N=C2c2ccccc2)cc1 |c:27|

COc1ccccc1\C=N\N1C(Nc2nc(C)cs2)c2cc(I)ccc2N=C1c1ccccc1 |c:29|

N[C@H]1CC(N2Cc3c[nH]nc3C2)c2ccccc2[C@@H]1c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H]([C@H]2CC12)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H]([C@@H]2C[C@H]12)c1cc(F)ccc1F |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|

O=C(CNC(=O)c1cccc2ccccc12)N1CCCC1C#N

O=C(CNC(=O)c1cnc2ccccc2c1)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1cc2ccccc2[nH]1)N1CCCC1C#N

O=C(CNC(=O)c1c[nH]c2ccccc12)N1CCCC1C#N

O=C(CNC(=O)c1cccc2cccnc12)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1cccc2ncccc12)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1cncc2ccccc12)N1CCCC1C#N

O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1ccnc2ccccc12)N1CCCC1C#N

O=C(CNC(=O)c1cccc2cnccc12)N1CCCC1C#N

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12 |r|

Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc2n1 |r|

O=C(CNC(=O)c1ccncc1)N1CCC[C@H]1C#N |r|

Cc1nc2ccccc2c(C(=O)NCC(=O)N2CCC[C@H]2C#N)c1O |r|

Fc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

Clc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

Clc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

Brc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

Brc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

Clc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N |r|

COc1ccc(cc1OC)-c1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N |r|

Cn1cncc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

Cc1ncsc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

Cc1ncoc1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)C1CCNCC1)N1CCC[C@H]1C#N |r|

Clc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|

Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|

Cc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12 |r|

COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

O=C(CNC(=O)c1ccnc2cccc(-c3ccccc3)c12)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1ccnc2cc(ccc12)-c1ccccc1)N1CCC[C@H]1C#N |r|

Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1[N+]#[C-] |r|

COc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)C1=CC=NC2=NC=CC12)N1CCC[C@H]1C#N |r,c:8,12,t:6,10|

O=C(CNC(=O)c1ccnc2ncnn12)N1CCC[C@H]1C#N |r|

OC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|

C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1ccnc2cnccc12)N1CCC[C@H]1C#N |r|

O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N |r|

O=C(Cc1c[nH]cn1)NCC(=O)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1nc[nH]n1)N1CCC[C@H]1C#N |r|

Oc1cnc2ccccc2c1C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3cccc(F)c3C#N)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(F)c(F)cc3C#N)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3nccnc3C#N)c(=O)c12)N1CCC[C@@H](N)C1 |r|

COC(=O)c1cccnc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

NC1Cc2c(O)cccc2OC1c1cc(F)c(F)cc1F |w:1.0,11.13|

NC1Cc2c(OC1c1cc(F)c(F)cc1F)ccc1ccc(=O)oc21 |w:1.0,6.7|

Cc1cc(=O)oc2c3C[C@H](N)[C@H](Oc3ccc12)c1cc(F)c(F)cc1F |r|

NC1Cc2cc(O)ccc2OC1c1cc(F)c(F)cc1F |w:1.0,11.13|

COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cc(F)c(F)cc1F |r|

COc1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F |r|

N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1cc(Br)ccc21 |r|

NC1Cc2c(OC1c1cc(F)c(F)cc1F)ccc1ccc(Br)cc21 |w:1.0,6.7|

N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1cc(ccc21)C#N |r|

NC1Cc2c(OC1c1cc(F)c(F)cc1F)ccc1cc(OC=O)ccc21 |w:1.0,6.7|

NC1Cc2c(OC1c1cc(F)c(F)cc1F)ccc1ccc(cc21)C#N |w:1.0,6.7|

COc1cc2ccc3OC([C@@H](N)Cc3c2cc1OC)c1cc(F)c(F)cc1F |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc2ccc3OC(C(N)Cc3c2c1)c1cc(F)c(F)cc1F |w:19.20,18.28|

N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1ccc(cc21)-c1cccc(CS(=O)=O)c1 |r|

NC1Cc2c(OC1c1cc(F)c(F)cc1F)ccc1ccccc21 |w:1.0,6.7|

CS(=O)(=O)Nc1ccc2c3CC(N)C(Oc3ccc2c1)c1cc(F)c(F)cc1F |w:11.11,13.22|

CS(=O)(=O)c1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F |r|

NC1Cc2c(OC1c1cc(F)c(F)cc1F)ccc1cc(ccc21)N1CCOCC1 |w:6.7,1.0|

COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1S(C)(=O)=O)c1cc(F)c(F)cc1F |r|

COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1NS(C)(=O)=O)c1cc(F)c(F)cc1F |r|

COc1cc2c(ccc3c2C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N)cc1C#N

COc1ccc2ccc3OC(C(N)Cc3c2c1)c1ccccc1F |w:11.11,10.19|

COc1ccc2ccc3OC(C(N)Cc3c2c1)c1ccc(F)cc1 |w:11.11,10.19|

COc1ccc2ccc3OC(C(N)Cc3c2c1)c1ccc(F)cc1F |w:11.11,10.19|

COc1ccc2ccc3OC(C(N)Cc3c2c1)c1cc(F)ccc1F |w:11.11,10.19|

COc1ccc2ccc3OC(C(N)Cc3c2c1)c1ccccc1Cl |w:11.11,10.19|

COc1ccc2ccc3OC(C(N)Cc3c2c1)c1ccc(Cl)cc1Cl |w:11.11,10.19|

COc1cc2ccc3OC(C(N)Cc3c2cc1OC)c1ccc(F)cc1F |w:10.10,9.21|

COc1cc2ccc3OC(C(N)Cc3c2cc1OC)c1ccccc1 |w:10.10,9.21|

COc1cc2ccc3OC(C(N)Cc3c2cc1OC)c1ccc(Cl)cc1Cl |w:10.10,9.21|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2ccc(cc2C1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CCN(CC1)c1ncc(cn1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CCN(CC1)c1ncc(cn1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CCN(CC1)c1ccc(cn1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1cc(cn1)N1CCC(O)(C(=O)NCc2cc(Cl)cc(Cl)c2)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1cc(cn1)N1CCC(O)(C(=O)NCc2cc(Cl)cc(Cl)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ncc(n1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ncc(n1)N1CCC(O)(C(=O)NCc2cccc(F)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ncc(n1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ncc(n1)N1CCC(O)(C(=O)NCc2cc(Cl)cc(Cl)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CCC(O)(C(=O)NCc2cc(Cl)cc(Cl)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2F)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CCC(O)(C(=O)NCc2cc(F)cc(F)c2)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)n1ccc(n1)N1CCC(O)(C(=O)NCc2cccc(F)c2)C1=O |r|

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CCC(=CC1)c1ncc(cn1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r,c:20|

C[C@H](NC(=O)c1cccc(Cl)c1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r|

FC(F)(F)c1nnc2CN(CC(=O)NC3CCCCC3)CCn12

FC(F)(F)c1nnc2CN(CC(=O)Nc3cccc(c3)C#N)CCn12

CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(C3)C1)C2 |r,TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:1:12:15:18.19.17,20:18:15:21.12.13,20:12:15:18.19.17|

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(Cl)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|

CC1(CCCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O

CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

CC1(CCCC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)(F)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

CN(CB(O)O)C(=O)[C@@H](N)CCC(O)=O |r|

CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|

CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

c1ccc2c(c1)CN(C2)C(=O)[C@H](CC(=O)N3CCN(CC3)C(c4ccc(cc4)F)c5ccc(cc5)F)N

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C1(CC1)C(F)(F)F |r|

CC[C@H](N)C(=O)N1CCC[C@H]1B(O)O

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|

CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|

CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|

N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2[C@H]1B(O)O |r|

N[C@@H](C1CCCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|

N[C@@H](CC(N)=O)C(=O)N1Cc2ccc(F)cc2C1 |r|

CN(C)C(=O)C[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

CC1(CCCCC1)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

CC(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2[C@H]1B(O)O |r|

CC(C)(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2[C@H]1B(O)O |r|

Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CCCCN1 |r|

NCCCC[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

N[C@@H](C1CCCC1)C(=O)N1Cc2ccc(F)cc2C1 |r|

NC1(CCNCC1)C(=O)N1Cc2ccc(F)cc2C1

NC1(CCNCC1)C(=O)N1Cc2ccccc2C1

NC1(CCNCC1)C(=O)N1CCSC1

CC(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1B(O)O |r|

CC(C)[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1B(O)O |r|

CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)CO |r|

CC1(C)CCN[C@@H]1C(=O)N1CCC[C@H]1B(O)O |r|

CC1(CC1)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|

N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1B(O)O

NCCCC[C@H](N)C(=O)N1CCC[C@H]1B(O)O

CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]1C#N

N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(F)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccccc1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2cc(Cl)ccc2c1 |r|

Cc1noc(C)c1-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1cccnc1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccncc1 |r|

CC(C)(C)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

Cn1ccc2cc(ccc12)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2[nH]ccc2c1 |r|

Cn1cc(cn1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1cnn(c1)C1CC1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2NCCc2c1 |r|

CC(C)C\C=C\c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccccc3)cc12 |r|

CN(C)c1ccc2cc(ccc2c1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2NC(=O)CCc2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc(=O)[nH]c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2C(=O)NCCc2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccncc3)cc12 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3cccnc3)cc12 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccccn3)cc12 |r|

COC(=O)\C=C\c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

C[C@@H](NC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

C[C@H](NC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

CC(C)[C@@H](NC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

CC(C)[C@H](NC(=O)c1ccnc2ccc(cc12)-c1ccc(Cl)cc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

COc1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

FC(F)(F)Oc1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

CN1CCN(Cc2ccc(cc2)-c2ccc3nccc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)c3c2)CC1 |r|

COCCOc1ccc(cn1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

CC(=O)Nc1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

CC(=O)Nc1cccc(c1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

CC(=O)Nc1ccccc1-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

CNC(=O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

CNC(=O)c1cccc(c1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2C(=O)NCc2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2CCNC(=O)c2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1cccc2NC(=O)CCc12 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1cccc2C(=O)NCCc12 |r|

CN1C(=O)CCc2cc(ccc12)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

CN1CCc2cc(ccc2C1=O)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccc4[nH]ncc4c3)cc12 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2NCCCc2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc2CNCCc2c1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(\C=C\c3ccc4NCCc4c3)cc12 |r|

CNC(=O)c1ccc(cc1F)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

C[C@@H](NC(=O)c1ccncc1-c1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

C[C@H](NC(=O)c1ccncc1-c1ccccc1)C(=O)N1CC(F)(F)C[C@H]1C#N |r|

CC[C@@H](C)C(N)C(=O)N1Cc2ccc(F)cc2C1 |r|

CC(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

CC(C)(C)[C@H](N)C(=O)N1Cc2ccc(F)cc2C1 |r|

CC(C)[C@H](N(C)C)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Ga](OC(=O)C2)OC(=O)C3)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN2CCN3CCN(CC1)CC(=O)O[Lu](OC(=O)C2)OC(=O)C3)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](NC(=O)CNC(=O)CC[C@@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](NC(=O)CNC(=O)CC[C@H](C(O)=O)[N+]12CC[N+]3(CC(O)=O)CC[N+]4(CC(O)=O)CC[N+](CC(O)=O)(CC1)[Ga-]234)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r,wU:13.12,53.58,wD:3.3,45.49,(4.66,-7.31,;3.33,-6.54,;1.99,-7.31,;3.33,-5,;1.99,-4.23,;.66,-5,;.66,-6.54,;-.67,-4.23,;-2.01,-5,;-3.34,-4.23,;-4.67,-5,;-3.34,-2.69,;-4.67,-1.92,;-4.67,-.38,;-3.34,.39,;-3.34,1.93,;-2.01,-.38,;-6.01,.39,;-4.67,1.16,;-4.67,2.7,;-6.16,3.1,;-5.39,4.43,;-6.16,5.77,;-7.65,5.37,;-6.16,7.31,;-6.93,4.43,;-8.47,4.43,;-9.24,3.1,;-10.77,4.54,;-12.26,4.14,;-12.68,1.92,;-13.35,5.23,;-10.73,2.7,;-10.73,1.16,;-9.4,.39,;-10.17,-.94,;-9.08,-2.03,;-7.68,-1.8,;-9.08,-3.57,;-8.63,-.94,;-6.78,-.94,;-7.67,1.93,;4.66,-4.23,;4.66,-2.69,;6,-5,;7.33,-4.23,;7.33,-2.69,;8.66,-5,;8.66,-6.54,;10,-4.23,;10,-2.69,;11.46,-2.21,;12.37,-3.46,;11.46,-4.7,;11.86,-6.19,;13.35,-6.59,;10.77,-7.28,)|

CC(C)[C@H](NC(=O)CNC(=O)CC[C@H]1N2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C4)(OC(=O)C3)OC1=O)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(NNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)nc1)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(NNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Gd](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)cc1)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(NNC(=O)CCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)CC1)C(=O)N1CCC[C@H]1B(O)O |r,wU:46.49,8.8,wD:1.0,5.4,(-9.28,10.4,;-9.28,8.86,;-10.62,8.09,;-11.95,8.86,;-11.95,10.4,;-13.28,8.09,;-14.62,8.86,;-15.95,8.09,;-15.95,6.55,;-17.28,5.78,;-18.62,6.55,;-19.95,5.78,;-19.95,4.24,;-21.28,6.55,;-22.62,5.78,;-23.34,7.1,;-24.92,7.09,;-25.72,5.78,;-26.93,6.99,;-25.85,8.17,;-24.36,7.77,;-25.85,9.71,;-27.01,5.05,;-26.99,3.47,;-25.71,2.68,;-26.8,1.59,;-28.29,1.99,;-29.06,3.32,;-29.38,.9,;-25.01,1.35,;-23.43,1.37,;-22.61,2.68,;-21.84,1.35,;-22.93,.26,;-24.42,.66,;-22.93,-1.28,;-21.3,3.44,;-21.32,5.02,;-14.62,5.78,;-13.28,6.55,;-7.95,8.09,;-7.95,6.55,;-6.62,8.86,;-6.62,10.4,;-5.15,10.88,;-4.25,9.63,;-5.15,8.39,;-4.68,6.92,;-5.71,5.78,;-3.17,6.6,)|

C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)CC1)C(=O)N1CCC[C@H]1B(O)O |r,wU:8.8,47.52,wD:5.4,1.0,(7.29,6.09,;7.29,4.55,;5.95,3.78,;4.62,4.55,;4.62,6.09,;3.29,3.78,;1.95,4.55,;.62,3.78,;.62,2.24,;-.72,1.47,;-2.05,2.24,;-3.38,1.47,;-3.38,-.07,;-4.72,2.24,;-6.05,1.47,;-6.77,2.79,;-8.35,2.78,;-9.15,1.47,;-10.44,.74,;-10.43,-.84,;-9.14,-1.63,;-8.44,-2.95,;-6.86,-2.94,;-6.04,-1.63,;-4.74,-.87,;-4.75,.71,;-5.02,-3.89,;-6.17,-4.86,;-6.17,-6.4,;-7.85,-4.59,;-7.89,-.09,;-7.92,4.44,;-9.47,4.45,;-9.47,5.99,;-10.65,3.24,;-11.81,-.09,;-11.81,-1.63,;-13.15,-2.4,;-10.48,-2.4,;1.95,1.47,;3.29,2.24,;8.62,3.78,;8.62,2.24,;9.95,4.55,;10.12,6.08,;11.62,6.4,;12.39,5.07,;11.36,3.93,;11.68,2.42,;10.54,1.39,;13.15,1.94,)|

C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Lu](OC(=O)C3)OC(=O)C4)CC1)C(=O)N1CCC[C@H]1B(O)O |r,wU:8.8,47.52,wD:5.4,1.0,(7.29,6.09,;7.29,4.55,;5.95,3.78,;4.62,4.55,;4.62,6.09,;3.29,3.78,;1.95,4.55,;.62,3.78,;.62,2.24,;-.72,1.47,;-2.05,2.24,;-3.38,1.47,;-3.38,-.07,;-4.72,2.24,;-6.05,1.47,;-6.77,2.79,;-8.35,2.78,;-9.15,1.47,;-10.44,.74,;-10.43,-.84,;-9.14,-1.63,;-8.44,-2.95,;-6.86,-2.94,;-6.04,-1.63,;-4.74,-.87,;-4.75,.71,;-5.02,-3.89,;-6.17,-4.86,;-6.17,-6.4,;-7.85,-4.59,;-7.89,-.09,;-7.92,4.44,;-9.47,4.45,;-9.47,5.99,;-10.65,3.24,;-11.81,-.09,;-11.81,-1.63,;-13.15,-2.4,;-10.48,-2.4,;1.95,1.47,;3.29,2.24,;8.62,3.78,;8.62,2.24,;9.95,4.55,;10.12,6.08,;11.62,6.4,;12.39,5.07,;11.36,3.93,;11.68,2.42,;10.54,1.39,;13.15,1.94,)|

C[C@@H](NC(=O)c1ccc(NN)nc1)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCC2=C(\C=C\C3=C(Oc4ccc(cc4)S(O)(=O)=O)\C(\CCC3)=C\C=C3\N(CCCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S(O)(=O)=O)nc1)C(=O)N1CCC[C@H]1B(O)O |r,c:18,22|

OB(O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCNC1 |r|

CCOC(=O)C12CCC(CC1)(CC2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

O[C@@]12CC3C[C@H](C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:4:5:10:9.3.2,4:3:10:5.6.7,6:1:9:5.4.7,2:3:10.1.6:7,0:1:9:5.4.7,THB:6:5:9:10.1.2|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3C[C@H](C[C@@](O)(C3)C1)C2 |r,TLB:15:16:21:13.14.20,THB:15:14:21:16.17.22,17:16:13:21.18.20,17:18:13:16.15.22,20:14:21.18.17:22,19:18:13:16.15.22|

COC(=O)c1nc(n2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r|

Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r|

CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N

N[C@H](CN1CC(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F |r|

Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N

CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N

O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1)N1CCCC1 |r|

OC(=O)C12CCC(CC1)(CC2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

COC(=O)C12CCC(CC1)(CC2)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|

NC12CC3C[C@H](C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:4.3.2,THB:2:3:7:6.10.1,9:3:6:7.8.10|

O=C(CNC12CC3C[C@@H](CC(C3)C1)C2)N1CCC[C@H]1C#N |r,TLB:11:10:13:7.5.6,THB:12:4:7:9.10.11,12:10:7:13.4.5|

CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(Cl)cc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|

COC(=O)c1cc(Cl)ccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

CC#CCn1c(cc(=O)n(Cc2cccc(F)c2C(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(cc(=O)n(Cc2cccc(F)c2C)c1=O)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(cc(=O)n(Cc2ccccc2)c1=O)N1CCC[C@@H](N)C1 |r|

COC(=O)c1cccc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)c1 |r|

N[C@@H](CC(=O)N1CCn2c(C1)c(nc2C(F)(F)F)C(O)=O)Cc1cc(F)c(F)cc1F |r|

CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN2CC(=O)OC3(C2)CN2CC(=O)O[Ga]3C3(CN(CC(=O)O3)CC2)C1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCCN(CC(O)=O)CCN(CC(O)=O)CCCN(CC(O)=O)CC1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN1CCN2CC(=O)OC3(C2)CN2CC(=O)O[Lu]3C3(CN(CC(=O)O3)CC2)C1)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OOC(=O)C3)OC(=O)C4)cc1)C(=O)N1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(NNC(=O)CCCNC(=O)CN2CCN3CCN4CCN(CC2)CC(=O)O[Ga](OC(=O)C3)OC(=O)C4)nc1)C(=O)N1CCC[C@H]1B(O)O |r|

CC(C)[C@H](N)C(=O)C1CCC[C@H]1B(O)O |r|

C[C@@H](NC(=O)c1ccc(NNC(=O)CCCCC[N+]2=C(\C=C\C3=C(Oc4ccc(cc4)S(O)(=O)=O)\C(\CCC3)=C\C=C3\N(CCCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S(O)(=O)=O)nc1)C(=O)N1CCC[C@H]1B(O)O |r,c:18,22|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCCOc3ccc4nccc(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C#N)c4c3)CC2)CCN(CC(O)=O)CC1 |r|

CS(=O)(=O)c1cccc(c1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

CS(=O)(=O)c1cccc(c1)-c1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

CS(=O)(=O)c1cccc(c1)-c1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

CS(=O)(=O)c1cccc(c1)-c1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

O=C(CNC(=O)c1ccnc2=CCCC=c12)N1CCC[C@H]1C(=O)c1nc2ccccc2s1 |r,t:10,14|

O=C(CNC(=O)c1ccnc2=CCCC=c12)N1CCC[C@H]1C(=O)c1nc2ccccc2o1 |r,t:10,14|

O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)c1nccs1 |r|

O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C(=O)c1ncco1 |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

OC(=O)c1cccc(c1)-c1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|

OC(=O)c1cccc(c1)-c1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

OC(O)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N |r|

OC(O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCCOC3CC=c4nccc(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C(=O)c5nc6ccccc6o5)c4=C3)CC2)CCN(CC(O)=O)CC1 |r,c:62,t:28|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCCS(=O)(=O)c2ccc(cc2)-c2ccc3nccc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)c3c2)CCN(CC(O)=O)CC1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2=CCC(OCCCN3CCN(CC3)C(=O)CN3CCN4CCN5CCN(CC3)CC(=O)O[In](OC(=O)C4)OC(=O)C5)C=c12 |r,t:20,66|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccc(OCCCN3CCN(CC3)C(=O)CN3CCN4CCN5CCN(CC3)CC(=O)O[Lu](OC(=O)C4)OC(=O)C5)cc12 |r|

O[n+]1ccc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc12 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCCS(=O)(=O)c2ccc(cc2)-c2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C(=O)c4nc5ccccc5o4)c3c2)CCN(CC(O)=O)CC1 |r|

OC(O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCCNC(O)c2ccc(cc2)-c2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C(=O)c4nc5ccccc5o4)c3c2)CCN(CC(O)=O)CC1 |r|

OC(O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCCOc3ccc4[n+]([O-])ccc(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C#N)c4c3)CC2)CCN(CC(O)=O)CC1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCCNC(=O)c2ccc(cc2)-c2ccc3nccc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)c3c2)CCN(CC(O)=O)CC1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCCS(=O)(=O)c2ccc(cc2)-c2ccc3[n+]([O-])ccc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)c3c2)CCN(CC(O)=O)CC1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCNC(=O)c3ccc(cc3)-c3ccc4nccc(C(=O)NCC(=O)N5CC(F)(F)C[C@H]5C#N)c4c3)CC2)CCN(CC(O)=O)CC1 |r|

CC(C)(C)c1nnc(o1)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCCNC(=O)c2ccc(cn2)-c2ccc3nccc(C(=O)NCC(=O)N4CC(F)(F)C[C@H]4C#N)c3c2)CCN(CC(O)=O)CC1 |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3C[C@H](F)C[C@H]3C#N)c2c1 |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3C[C@@H](F)C[C@H]3C#N)c2c1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCCNC(=O)c2ccc(cc2)-c2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C#N)c3c2)CCN(CC(O)=O)CC1 |r|

CS(=O)(=O)c1cc(F)c(c(F)c1)-c1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

OC(CN1CCN2CCN3CCN(CC1)CC(=O)O[Eu](OC(=O)C2)OC(=O)C3)NCCCNC(=O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1 |r|

OC(CN1CCN2CCN3CCN(CC1)CC(=O)O[Eu](OC(=O)C2)OC(=O)C3)NCCCNC(=O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)NCCCNC(=O)C(=C\Nc2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C#N)c3c2)\N=N)CCN(CC(O)=O)CC1 |r|

Cc1cc(ccc1-c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1)S(C)(=O)=O |r|

Cc1cc(ccc1-c1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1)S(C)(=O)=O |r|

OC(=O)CN(CCCNC(=O)c1ccc(cc1)-c1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1)C(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 |r|

OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(cc12)-c1ccc(cc1)C(=O)NCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 |r|

OC(O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCNC(=O)c3cccc(c3)-c3ccc4c(ccnc4c3)C(=O)NCC(=O)N3CCC[C@H]3C(=O)c3nc4ccccc4o3)CC2)CCN(CC(O)=O)CC1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCNC(=O)c3cccc(c3)-c3ccc4nccc(C(=O)NCC(=O)N5CCC[C@H]5C(=O)c5nc6ccccc6o5)c4c3)CC2)CCN(CC(O)=O)CC1 |r|

OC(O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCNC(=O)c3ccc(cc3)-c3ccc4nccc(C(=O)NCC(=O)N5CCC[C@H]5C(=O)c5nc6ccccc6o5)c4c3)CC2)CCN(CC(O)=O)CC1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCNC(=O)c3ccc(cc3)-c3ccc4c(ccnc4c3)C(=O)NCC(=O)N3CCC[C@H]3C(=O)c3nc4ccccc4o3)CC2)CCN(CC(O)=O)CC1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCCOc3ccc4nccc(C(=O)NCC(=O)N5CCC[C@H]5C(=O)c5nc6ccccc6o5)c4c3)CC2)CCN(CC(O)=O)CC1 |r|

OC(=O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCCOc3ccc4nccc(C(=O)NCC(=O)N5C[C@@H](F)C[C@H]5C(=O)c5nc6ccccc6o5)c4c3)CC2)CCN(CC(O)=O)CC1 |r|

OC(O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCNC(=O)c3ccc(cc3)-c3ccc4nccc(C(=O)NCC(=O)N5C[C@@H](F)C[C@H]5C(=O)c5nc6ccccc6o5)c4c3)CC2)CCN(CC(O)=O)CC1 |r|

OC(O)CN1CCN(CC(O)=O)CCN(CC(=O)N2CCN(CCNC(=O)c3ccc(cn3)-c3ccc4nccc(C(=O)NCC(=O)N5CCC[C@H]5C(=O)c5nc6ccccc6o5)c4c3)CC2)CCN(CC(O)=O)CC1 |r|

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2cccc(F)c12

N#C[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)c1ccnc2ccc(F)cc12

N#C[C@@H]1CC(F)(F)CN1C(=O)CNC(=O)c1ccnc2ccc(F)cc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OCCF)cc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2cc(F)ccc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2c(F)cccc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1c(F)cnc2ccccc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OCCCN(Cc3ccc(I)cc3)C(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OCCCN(Cc3ccc(F)nc3)C(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OCCCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)c3cccc(F)n3)cc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OCCCNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)c3ccc(F)nc3)cc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OCCOCCNC(=O)[C@H](CCCCNC(=O)c3ccc(F)nc3)NC(=O)CN3CCN(COC=O)CCN(COC=O)CCN(CC(=O)O)CC3)cc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OCCCNC(=O)CNC(=O)[C@H](CCCCNC(=O)c3ccc(F)nc3)NC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc12

N#C[C@@H]1CCCN1C(=O)CNC(=O)c4ccnc5ccc(OCCCNC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](CCCCNC(=O)c2ccc(F)nc2)NC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc45

N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OCCCNC(=O)CCc3cn(CCCC[C@H](NC(=O)c4ccc(F)nc4)C(=O)NCCNC(=O)CCC(C(=O)O)N4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)nn3)cc12

N#CC1CCCN1C(=O)CNC(=O)c1ccnc2ccc(OCCCNC(=O)CCc3cn(CCCC[C@H](NC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CC4)C(=O)NCCCOc4ccc5nccc(C(=O)NCC(=O)N6CCC[C@H]6C#N)c5c4)nn3)cc12

[H]C(CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCNC(=O)[C@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)NC(=O)CCOCCOCCOCCn1cc(CCC(=O)NCCCOc2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C#N)c3c2)nn1)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

[H]C(CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCNC(=O)[C@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1)NC(=O)CCOCCOCCOCCn1cc(CCC(=O)NCCCOc2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C#N)c3c2)nn1)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

[H]C(CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCNC(=O)[C@H](CCCCNC(=O)CCC(C(=O)O)N1CCCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)C1)NC(=O)CCOCCOCCOCCn1cc(CCC(=O)NCCCOc2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C#N)c3c2)nn1)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

[H]C(CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCCNC(=O)[C@H](CCCCn1cc(CCC(=O)NCCCOc2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C#N)c3c2)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

[H]C(CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCCNC(=O)[C@H](CCCCn1cc(CCC(=O)NCCCOc2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C#N)c3c2)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

[H]c1ccc(OC2=C(/C=C/C3[NH+](CCCCCC(=O)N[C@@H](CCCCn4cc(CCC(=O)NCCCOc5cccc(/C(=CC=N)C(=O)NCC(=O)N6CCCC6C#N)c5)nn4)C(=O)NCCNC(=O)CCC(C(=O)O)N4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c4ccc(C)cc4C3(C)C)CCC/C2=CC=C2N(CCCCS(=O)(=O)O)c3ccc([H])cc3C2(C)C)cc1

[H]C(CCCCN(Cc1ccc(Br)cc1)C(=O)CCCCCNC(=O)[C@H](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCCCOc2ccc3nccc(C(=O)NCC(=O)N4CCC[C@H]4C#N)c3c2)nn1)NC(=O)N[C@@H](CCC(=O)O)C(=O)O

CC1(C)/C(=CC=C2/CCCC(/C=C/C3[NH+](CCCCCC(O)NCCCC[C@H](NC(=O)CCOCCOCCOCCn4cc(CCC(=O)NCCCOc5ccc6nccc(C(=O)NCC(=O)N7CCC[C@H]7C#N)c6c5)nn4)C(=O)NCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc4ccc(Br)cc4)c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2Oc2ccc(S(=O)(=O)O)cc2)N(CCCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc21

[H]c1ccc(OC2=C(/C=C/C3=[N+](CCCCCC(=O)N[C@@H](CCCCn4cc(CCC(=O)NCCCOc5cccc(/C(=CC=N)C(=O)NCC(=O)N6CCCC6C#N)c5)nn4)C(=O)NCCCCCC(=O)N(CCCCC([H])NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc4ccc(Br)cc4)c4ccc(C)cc4C3(C)C)CCC/C2=CC=C2N(CCCCS(=O)(=O)O)c3ccc([H])cc3C2(C)C)cc1

[H]C(CCCCNC(=O)CCCCCNC(=O)[C@H](CCn1cc(CCC(=O)NCCCOc2ccc3nccc(C(=O)NCC(=O)N4CCCC4C#N)c3c2)nn1)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1)NC(=O)N[C@@H](CC(=O)O)C(=O)O

CCc1ccc([C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(O[C@@H]2CCN([C@@H]3CO[C@H](c4cc(F)ccc4F)[C@@H](N)C3)C2)cc1

CCc1ccc([C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(O[C@@H]2CCN([C@@H]3CO[C@H](c4cc(F)ccc4F)[C@@H](N)C3)C2)cc1

CS[C@H]1O[C@@H](c2ccc(C)c(Cc3ccc(O[C@@H]4CCN([C@@H]5CO[C@H](c6cc(F)ccc6F)[C@@H](N)C5)C4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

CS[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@@H]4CCN([C@@H]5CO[C@H](c6cc(F)ccc6F)[C@@H](N)C5)C4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

CS[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OC4CN([C@H]5CO[C@H](c6cc(F)ccc6F)[C@@H](N)C5)C4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

CCc1ccc([C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(OC2CCN(C3CO[C@H](c4cc(F)ccc4F)[C@@H](N)C3)CC2)cc1

CCc1ccc([C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(O[C@H]2CCN([C@@H]3CO[C@H](c4cc(F)ccc4F)[C@@H](N)C3)C2)cc1

CCc1ccc([C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(O[C@@H]2CCN([C@H]3CO[C@H](c4cc(F)ccc4F)[C@@H](N)C3)C2)c(C)c1

CS[C@H]1O[C@@H](c2ccc(C(C)C)c(Cc3ccc(O[C@@H]4CCN([C@H]5CO[C@H](c6cc(F)ccc6F)[C@@H](N)C5)C4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

CCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|

C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|

CC(C)Cc1nc(C)c(C(=O)OCc2ccccc2C(O)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc(C)c(C(=O)OC[C@H]2CC[C@@H](CC2)C(O)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc(C)c(C(=O)OCCCC(O)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc(C)c(C=Cc2nc(cs2)C(O)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cn1c(CN)c(-c2ccc(C)cc2)c2cc(OCC(N)=O)ccc2c1=O

CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)-c1ccc(o1)C(O)=O

CC(C)Cc1nc2ccc(OCCCCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc2ccc(OCCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc2ccc(OCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN

NCc1c(Cc2ccccc2)nc2ccc(OCC(N)=O)cc2c1-c1ccccc1

CC(C)(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN

CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN

CCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN

CCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN

CC(C)Cc1nc2ccc(cc2c(-c2ccccc2)c1CN)C(N)=O

CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(cnc2c1=O)C(N)=O

CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(Br)cnc2c1=O

CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(Br)ccc2c1=O

CC(C)Cc1nc(C)c(CCc2nc(cs2)C(N)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1ncc(-c2nc(cs2)C(N)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc(C)c(COCc2ccc(cc2)C(O)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc(C)c(C(=O)OCc2ccc(cc2)C(O)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc(C)c(C(=O)OCc2cccc(c2)C(O)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc2ccc(OCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN

CCCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN

CC(C)Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1CN

CC(C)Cc1nc2ccc(OCCCCC(N)=O)cc2c(-c2ccc(C)cc2)c1CN

CC(C)Cc1ncc(-c2nc(cs2)C(C)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc(C)c(CCc2nc(cs2)C(O)=O)c(-c2ccc(C)cc2)c1CN

CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)-c1nc(cs1)C(O)=O

CC(C)Cc1nc2ccc(OCCCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN

[H][C@@]12CCc3nnc(-c4cnccn4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

[H][C@@]12CCc3nnc(-c4csc(C)n4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

[H][C@]12CCc3nnc(C(C)C)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

[H][C@@]12CCc3nnc(n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r|

[H][C@@]12CCc3nnc(C)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

[H][C@@]12CCc3nnc(C(C)C)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

[H][C@]12CCc3nnc(n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r|

[H][C@]12CCc3nnc(n3[C@@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r|

[H][C@@]12CCc3nnc(n3[C@@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(F)(F)F |r|

[H][C@@]12CCc3nnc(Cc4ccccc4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

[H][C@@]12CCc3nnc(-c4cccc(OCC)n4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

[H][C@@]12CCc3nnc(-c4ccccn4)n3[C@]1([H])CCN(C2)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

N[C@@H]1CCCN(C1)c1cc(=O)n(Cc2cc(F)cc(F)c2)c(=O)n1Cc1cc(F)ccc1C#N |r|

Cc1cc(C)cc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2=O)c1 |r|

COc1ccc(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2=O)cc1OC |r|

CC(C)[C@H](N)C(=O)N1CCCC1 |r|

CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1 |r|

N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1 |r|

CC(C)[C@H](N)C(=O)N1CCCC1B(O)O |r|

N[C@@H]1CCCN(C1)c1nc2c(F)c[nH]c2c(=O)n1Cc1cc(F)ccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2c(c[nH]c2c(=O)n1Cc1cc(F)ccc1C#N)-c1ccc(cc1)S(N)(=O)=O |r|

N[C@@H]1CCCN(C1)c1nc2cc[nH]c2c(=O)n1Cc1cc(F)ccc1C#N |r|

CS(=O)(=O)n1ccc2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c(=O)c12 |r|

CS(=O)(=O)c1ccccc1-c1c[nH]c2c1nc(N1CCC[C@@H](N)C1)n(Cc1cc(F)ccc1C#N)c2=O |r|

N[C@@H]1CCCN(C1)c1nc2c(Br)c(Br)[nH]c2c(=O)n1Cc1cc(F)ccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2ccn(Cc3cc(F)ccc3C#N)c2c(=O)n1Cc1cc(F)ccc1C#N |r|

CS(=O)(=O)c1cccc(c1)-c1c[nH]c2c1nc(N1CCC[C@@H](N)C1)n(Cc1cc(F)ccc1C#N)c2=O |r|

N[C@@H]1CCCN(C1)c1nc2cc[nH]c2c(=O)n1Cc1cc(ccc1C#N)N1CCOCC1 |r|

N[C@@H]1CCCN(C1)c1nc2[nH]ccc2c(=O)n1Cc1cc(F)ccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2scnc2c(=O)n1Cc1cc(F)ccc1C#N |r|

Cn1cnc2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c(=O)c12 |r|

N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1cc(F)ccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2c(F)c(F)[nH]c2c(=O)n1Cc1cc(F)ccc1C#N |r|

N[C@@H]1CCCN(C1)c1nc2c(c[nH]c2c(=O)n1Cc1cc(F)ccc1C#N)-c1ccsc1 |r|

N[C@@H]1CCCN(C1)c1nc2c(c[nH]c2c(=O)n1Cc1cc(F)ccc1C#N)-c1cccs1 |r|

CS(=O)(=O)c1ccc(cc1)-c1c[nH]c2c1nc(N1CCC[C@@H](N)C1)n(Cc1cc(F)ccc1C#N)c2=O |r|

CC(C)S(=O)(=O)c1ccc(cc1)-c1c[nH]c2c1nc(N1CCC[C@@H](N)C1)n(Cc1cc(F)ccc1C#N)c2=O |r|

CS(=O)(=O)c1ccc(cc1F)-c1c[nH]c2c1nc(N1CCC[C@@H](N)C1)n(Cc1cc(F)ccc1C#N)c2=O |r|

CS(=O)(=O)c1ccc(-c2c[nH]c3c2nc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c3=O)c(F)c1 |r|

CN(C)c1ccc(C#N)c(Cn2c(nc3cc[nH]c3c2=O)N2CCC[C@@H](N)C2)c1 |r|

N[C@@H]1CCCN(C1)c1nc2c(c[nH]c2c(=O)n1Cc1cc(F)ccc1C#N)-c1ccc(F)cc1 |r|

Cc1ccc(Cn2c(cc(=O)n3nccc23)N2CCC[C@@H](N)C2)cc1 |r|

N[C@@H]1CCCN(C1)c1cc(=O)n2nccc2n1Cc1ccccc1C#N |r|

[O-][N+](=O)c1ccc(Cn2c(cc(=O)n3nccc23)N2CCNCC2)cc1

N[C@@H]1CCCN(C1)c1cc(=O)n2nccc2n1Cc1ccc(cc1)[N+]([O-])=O |r|

Cc1ccc(Cn2c(cc(=O)n3nccc23)N2CCNCC2)cc1

N[C@@H]1CCCN(C1)c1cc(=O)n2nccc2n1Cc1ccccc1 |r|

O=c1cc(N2CCNCC2)n(Cc2ccccc2C#N)c2ccnn12

[O-][N+](=O)c1ccccc1Cn1c(cc(=O)n2nccc12)N1CCNCC1

N[C@@H]1CCCN(C1)c1c(Cc2ccccc2C#N)c(Cl)nc2ccnn12 |r|

N[C@@H]1CCCN(C1)c1cc(=O)n2nccc2n1Cc1ccccc1F |r|

CCOC(=O)c1ccc(Cn2c(cc(=O)n3nccc23)N2CCC[C@@H](N)C2)cc1 |r|

O=c1cc(N2CCNCC2)n(Cc2ccccc2)c2ccnn12

N[C@@H]1CCCN(C1)c1cc(=O)n2nccc2n1Cc1ccc(cc1)C(O)=O |r|

OCC1OC(Oc2cc3c(cc(O)cc3=[OH+])oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

N[C@@H](CCn1cc(nn1)-c1ccncc1)Cc1cc(F)c(F)cc1F |r|

FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)n1cc(nn1)-c1ccccc1 |r|

CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|

c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccccc3C#N)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#7])-[#6]-1

CC(C)C[C@H](N)C(=O)N1CCSCC1 |r|

Cc1cc(ccc1F)-c1cn(nn1)[C@@H]1CN[C@@H](C1)C(=O)N1CCC(F)(F)C1 |r|

c1cc(c(cc1\C=C\C(=O)O)O)O

CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|

COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1

c1c(cc(c(c1O)O)O)C(=O)O

c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O

Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1

c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O

c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O

Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|

COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O

Brc1nc2NN=C(Cn2n1)c1cc2ccccc2o1 |c:5|

CC(C)(C)[C@H](N)C(=O)N1CCSCC1 |r|

CCC(C)[C@H](N)C(=O)N1CCSCC1 |r|

Clc1ccc(NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)c2ccccc2)cc1

COC(=O)c1cn(nn1)[C@@H]1CN[C@@H](C1)C(=O)N1CCC(F)(F)C1 |r|

COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O

COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O

Cc1csc(NCc2nc3ccc(C)cc3c(=O)n2\N=C\c2ccc(O)cc2)n1

NCc1c(-c2ccc(Cl)cc2Cl)n(CS(=O)=O)c2ccccc12 |(34.01,-17.35,;35.05,-18.49,;34.58,-19.96,;35.5,-21.2,;37.03,-21.19,;37.81,-22.52,;39.35,-22.51,;40.11,-21.17,;41.65,-21.16,;39.32,-19.84,;37.79,-19.86,;37.01,-18.53,;34.6,-22.45,;35.08,-23.91,;34.06,-25.06,;34.54,-26.52,;32.55,-24.75,;33.13,-21.98,;31.79,-22.76,;30.46,-21.99,;30.46,-20.45,;31.79,-19.68,;33.12,-20.44,)|

O=C(N\N=C\c1cccc2ccccc12)c1[nH]nc2CCCCc12

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(C)C)C(O)=O |r|

Oc1ccc2ccccc2c1\C=N\NC(=O)c1n[nH]c2CCCCc12

c1ccc(cc1)C2=CC(=O)c3ccccc3O2

[H][C@@]12CC[C@@](C)([C@@H](C1)NCC(=O)N1CCC[C@H]1C#N)C2(C)C |r,THB:8:6:3.2:19|

[H][C@]12CC[C@](C)([C@@H](O)[C@H]1NCC(=O)N1CCC[C@H]1C#N)C2(C)C |r,TLB:7:6:3.2:20,THB:9:8:3.2:20|

[H][C@]12CC[C@](C)(C(=O)[C@H]1NCC(=O)N1CCC[C@H]1C#N)C2(C)C |r,TLB:7:6:3.2:20,THB:9:8:3.2:20|

[H][C@]12CC[C@](C)([C@H](C1)NCC(=O)N1CCC[C@H]1C#N)C2(C)C |r,THB:8:6:2.3:19|

CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc(O)c2C1=O

CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N)cc2C1=O

CC(C)c1cccc(C(C)C)c1N1C(=O)Cc2ccccc2C1=O

Cc1cccc(C)c1N1C(=O)c2cccc(N)c2C1=O

Cc1cccc(C)c1N1C(=O)Cc2ccccc2C1=O

CCc1cccc(CC)c1-n1c(O)cc2ccccc2c1=O |(6.7,5.02,;6.72,3.48,;8.06,2.72,;9.38,3.49,;10.73,2.73,;10.73,1.19,;9.4,.41,;9.4,-1.13,;10.74,-1.9,;8.07,1.18,;6.74,.41,;6.74,-1.13,;8.08,-1.9,;5.41,-1.9,;4.07,-1.15,;2.74,-1.92,;1.41,-1.15,;1.41,.39,;2.74,1.17,;4.07,.4,;5.4,1.18,;5.4,2.72,)|

Cc1cccc(C)c1N1C(=O)c2ccc(N)cc2C1=O

CCc1ccccc1N1C(=O)Cc2ccccc2C1=O

O=C1Cc2ccccc2C(=O)N1c1ccccc1

Cc1ccc(C)c(c1)N1C(=O)Cc2ccccc2C1=O

CCc1cccc(CC)c1N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O

Cc1ccc(N2C(=O)Cc3ccccc3C2=O)c(C)c1

CCc1cccc(CC)c1N1C(=O)c2ccccc2C1=O

CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O

CC(C)c1ccc(cc1)N1C(=O)Cc2ccccc2C1=O

CC(C)c1ccccc1N1C(=O)Cc2ccccc2C1=O

Cc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O

CCc1cccc(CC)c1N1C(=O)c2ccc(O)cc2C1=O

Cc1cccc(N2C(=O)Cc3ccccc3C2=O)c1C

Cc1cc(C)cc(c1)-n1c(O)cc2ccccc2c1=O

Clc1cccc(Cl)c1N1C(=O)Cc2ccccc2C1=O

COc1ccccc1N1C(=O)Cc2ccccc2C1=O

CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO

CSc1ccccc1N1C(=O)Cc2ccccc2C1=O

[H][C@]1(N)CCN([C@@H](C)B(O)O)C1=O

[H][C@@]1(N)CCN([C@@H](C)B(O)O)C1=O

C[C@@H](N)C(=O)N1CCC[C@H]1B(O)O

B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)N)(O)O

N[C@@H]1CCCN(C1=O)[P@@](N)(=O)NS(O)(=O)=O |r|

N[C@H]1CCCN(C1=O)[P@](N)(=O)NS(O)(=O)=O |r|

N[C@@H]1CCCN(C1=O)[P@](N)(=O)NS(O)(=O)=O |r|

C1C[C@@H](C(=O)N(C1)P(=O)(N)NS(=O)(=O)O)N

COc1cc(CC2(C(C)C)C(=N)NC(=S)NC2=O)cc(OC)c1OC

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |r|

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|

NCc1ccccc1-c1ccccc1

Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCOCC1 |(3.79,3.47,;2.48,2.65,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;1.19,-1.24,;-.16,-1.97,;-.19,-3.51,;1.13,-4.31,;1.1,-5.85,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,;-4.07,1.68,;-4.87,2.99,;-4.79,.32,;-3.99,-1,;-4.73,-2.35,;-6.27,-2.39,;-7.07,-1.08,;-6.34,.27,)|

CS(=O)(=O)c1ccc2n3C[C@H](N)[C@H](Cc3nc2c1)c1cc(F)c(F)cc1F |r|

[#6]S(=O)(=O)c1ccc(-c2noc(n2)-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6@H](-[#7])-[#6](\F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(Cl)c1 |r|

C[C@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N

N[C@H]1CN(C[C@H]1C(=O)N1CCCC1)C(=O)c1cnc2ccccc2n1 |r|

CS(=O)(=O)c1ccc([C@H]2NO[C@@H](N2)[C@@H](CC2CC2)[C@H](N)C(=O)N2CC[C@H](F)C2)c(F)c1 |r|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2 |r,TLB:22:12:20:17.16.15,15:16:21:13.14.20,1:12:20:17.16.15,THB:22:16:21.12.13:20,15:14:21:17.22.16|

Cn1cnc2cc(C#N)c(c(CN)c12)-c1ccccc1Cl |(-4.05,-1.64,;-3.57,-.17,;-4.48,1.07,;-3.57,2.32,;-2.11,1.84,;-.78,2.61,;.56,1.84,;1.89,2.61,;3.22,3.38,;.56,.3,;-.78,-.47,;-.78,-2.01,;-2.11,-2.78,;-2.11,.3,;1.89,-.47,;3.22,.3,;4.56,-.47,;4.56,-2.01,;3.22,-2.78,;1.89,-2.01,;.56,-2.78,)|

c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(=O)O

N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r|

COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)c4cccc(c4)CF)N

C(CO)C(CCO)C(CO)(CO)CO

c1cc(c(c(c1Cl)C(=O)O)O)Cl

COC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2CN)cc1 |r|

NC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2cc(ccc2Cl)C(O)=O)N1 |r|

Nc1nc(Cl)c2[nH]cnc2n1

CC(C)(C)c1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1CN)C(O)=O |r|

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,17.23,wD:20.24,5.4,(22.14,-9.02,;22.15,-10.56,;20.82,-11.33,;23.49,-11.32,;24.82,-10.55,;23.49,-12.86,;24.83,-13.63,;24.83,-15.17,;26.16,-12.85,;26.15,-11.31,;27.5,-13.62,;28.9,-12.98,;29.94,-14.12,;29.17,-15.46,;28.76,-16.94,;30.7,-15.68,;27.67,-15.15,;22.16,-13.64,;22.17,-15.19,;20.83,-15.95,;19.49,-15.19,;19.5,-13.64,;20.83,-12.87,;18.16,-15.96,;16.83,-15.18,;15.5,-15.95,;15.49,-17.49,;16.84,-18.27,;17.17,-19.77,;18.7,-19.92,;19.32,-18.51,;18.16,-17.49,)|

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)c1cccc2ncnn12 |wU:6.6,16.22,wD:5.4,19.23,13.13,(21.85,6.14,;21.85,4.6,;20.52,3.82,;23.19,3.83,;24.52,4.61,;23.2,2.29,;24.53,1.53,;24.54,-.01,;25.86,2.3,;25.86,3.84,;27.2,1.54,;28.61,2.17,;29.64,1.03,;28.88,-.31,;29.51,-1.71,;27.37,.01,;21.86,1.52,;21.87,-.03,;20.53,-.8,;19.2,-.04,;19.2,1.51,;20.53,2.28,;17.86,-.8,;16.53,-.03,;15.2,-.8,;15.2,-2.34,;16.54,-3.12,;16.88,-4.62,;18.41,-4.77,;19.02,-3.36,;17.87,-2.34,)|

CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1[C@@H](O)c1nnc(o1)C(C)(C)C |r|

c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N

FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|

COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N

C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)[C@H]1CC[C@@H](CC1)N(C)C(C)=O |r,wU:12.12,1.0,wD:15.19,2.2,9.9,(4.63,-2.1,;3.1,-2.26,;2.19,-1.02,;.66,-1.18,;2.82,.39,;4.35,.55,;1.92,1.64,;.38,1.64,;-.1,3.1,;1.15,4,;1.15,5.54,;2.39,3.1,;2.47,-3.67,;3.38,-4.92,;2.75,-6.32,;1.22,-6.48,;.32,-5.24,;.94,-3.83,;.59,-7.89,;-.94,-8.05,;1.5,-9.14,;.87,-10.54,;3.03,-8.98,)|

[H][C@]12C[C@@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:24:14:22:19.18.17,THB:23:20:17:15.14.24,23:14:22.20.19:17,12:14:22:19.18.17,24:18:22:15.23.14,21:20:17:15.14.24|

N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|

CC(=O)OCCCNc1nc2scnn2c(=O)c1[N+]([O-])=O

CCCCNc1nc2scnn2c(=O)c1[N+]([O-])=O

CC(C)(C)Nc1nc2scnn2c(=O)c1[N+]([O-])=O

CCCNc1nc2scnn2c(=O)c1[N+]([O-])=O

CC(=O)OCCCCNc1nc2scnn2c(=O)c1[N+]([O-])=O

OCCCNc1nc2scnn2c(=O)c1[N+]([O-])=O

OCCCCNc1nc2scnn2c(=O)c1[N+]([O-])=O

CC1(C)OCC(CNc2nc3scnn3c(=O)c2[N+]([O-])=O)O1

Oc1ccc(CCNc2nc3scnn3c(=O)c2[N+]([O-])=O)cc1

CC(C)CNc1nc2scnn2c(=O)c1[N+]([O-])=O

CC(C)Nc1nc2scnn2c(=O)c1[N+]([O-])=O

[O-][N+](=O)c1c(NCCc2ccc(Cl)cc2)nc2scnn2c1=O

OCCNc1nc2scnn2c(=O)c1[N+]([O-])=O

CC(=O)OCCNc1nc2scnn2c(=O)c1[N+]([O-])=O

OCC(O)CNc1nc2scnn2c(=O)c1[N+]([O-])=O

OCCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

OCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

OCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

[O-][N+](=O)OCCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

[O-][N+](=O)OCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

OCCCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

[O-][N+](=O)OCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

[O-][N+](=O)OCCCCCC(=O)N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCCCCC(=O)NC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc2s1)Cc1cc(F)c(F)cc1F

C[N+](C)(C)CCNC(=O)CCCCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

C[N+](C)(C)CCNC(=O)COc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCC(=O)NCCS(O)(=O)=O)cc2s1)Cc1cc(F)c(F)cc1F

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCCCCCCCCCCC(=O)NCCS(O)(=O)=O)cc2s1)Cc1cc(F)c(F)cc1F

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCCCCCCCCCCC(=O)NC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc2s1)Cc1cc(F)c(F)cc1F

C[N+](C)(C)CCNC(=O)CCCCCCCCCCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCC(=O)NC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc2s1)Cc1cc(F)c(F)cc1F

N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(OCCCCCC(=O)NCCS(O)(=O)=O)cc2s1)Cc1cc(F)c(F)cc1F

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O |r|

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(O)=O

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CO)C(O)=O

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)C(O)=O |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3ccccc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|

COc1cccc(C(O)=O)c1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

CCOC(=O)c1cc(Br)ccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(F)cc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3c(Cl)cccc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3c(Br)cccc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(Br)ccc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc(Br)cc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|

COC(=O)c1c(F)cccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

COC(=O)c1cccc(Cl)c1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

COC(=O)c1ccc(Cl)cc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

CCOC(=O)c1cc(Cl)ccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

COC(=O)c1cc(Br)ccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

COC(=O)c1ccccc1Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

COc1ccc(C(O)=O)c(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)c1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3cccc(F)c3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(Cl)ccc3C(O)=O)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(ccc3C(O)=O)C#N)c(=O)c12)N1CCC[C@@H](N)C1 |r|

Cc1cccc(c1)-c1nnc2ccc(nn12)N1CCN(CC1)C(c1ccccc1)c1ccccc1

CCOC(=O)N1CCN(CC1)c1ccc2nnc(-c3cccc(C)c3)n2n1

Cc1cccc(c1)-c1nnc2ccc(nn12)N1CCN(CC1)S(C)(=O)=O

Cc1cccc(c1)-c1nnc2ccc(nn12)N1CCN(CCN)CC1

Cc1cccc(c1)-c1nnc2ccc(nn12)N1CCN(Cc2ccccc2)C(C1)C(O)=O

Cc1cccc(c1)-c1nnc2ccc(nn12)N1CCN(Cc2ccc(F)cc2)CC1

Cc1cccc(c1)-c1nnc2ccc(nn12)N1CCN(Cc2ccccc2)CC1

COc1ccc(cc1)N1CCN(CC1)c1ccc2nnc(-c3cccc(C)c3)n2n1

Cc1cccc(c1)-c1nnc2ccc(nn12)N1CCN(CCOCCO)CC1

CC(=O)N1CCN(CC1)c1ccc2nnc(-c3cccc(C)c3)n2n1

Cc1cccc(c1)-c1nnc2ccc(nn12)N1CCN(CC1)C(=O)c1ccccc1

Cc1cccc(c1)-c1nnc2ccc(nn12)N1CCN(C(Cc2ccccc2)C1)C(=O)OC(C)(C)C

O=C([C@@H]1CCC[NH2+]1)N1CCCC1P1(=O)Oc2ccccc2-c2ccccc2O1

O=C(C1CCC[NH2+]1)N1CCCC1P(=O)(Oc1ccc(NN2CCCC2)cc1)Oc1ccc(NN2CCCC2)cc1

CS(=O)(=O)Nc1ccc(OP(=O)(Oc2ccc(NS(C)(=O)=O)cc2)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

Oc1ccc(OP(=O)(Oc2ccc(O)cc2)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

FC(F)(F)COP(=O)(OCC(F)(F)F)C1CCCN1C(=O)C1CCC[NH2+]1

COc1ccc(OP(=O)(Oc2ccc(OC)cc2)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

CC(=O)Nc1cccc(OP(=O)(Oc2cccc(NC(C)=O)c2)C2CCCN2C(=O)C2CCC[NH2+]2)c1

O=C([C@H]1CCC[NH2+]1)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

NCC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)CN)cc2)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

O=C([C@@H]1CCC[NH2+]1)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1

CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)NCC(=O)OCC)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

CCCNC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)NCCC)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

COP(=O)(Oc1ccccc1-c1ccccc1O)C1CCCN1C(=O)[C@@H]1CCC[NH2+]1

ClC(Cl)(Cl)COP(=O)(OCC(Cl)(Cl)Cl)C1CCCN1C(=O)C1CCC[NH2+]1

COC(=O)C(Cc1ccc(OP(=O)(Oc2ccc(CC(NC(C)=O)C(=O)OC)cc2)C2CCCN2C(=O)C2CCC[NH2+]2)cc1)NC(C)=O

NC(=O)NC1CC(OP(=O)(Oc2cccc(NC(N)=O)c2)C2CCCN2C(=O)C2CCC[NH2+]2)=CC=C1 |c:35,37|

CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

COC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)OC)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

C[C@@H](N)C(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)[C@H](C)N)cc2)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

COC(=O)CCNC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)NCCC(=O)OC)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

O=C(CNC(=O)c1ccccc1)Nc1ccc(OP(=O)(Oc2ccc(NC(=O)CNC(=O)c3ccccc3)cc2)C2CCCN2C(=O)C2CCC[NH2+]2)cc1

COC(=O)c1ccccc1Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(CC#CC)c1=O |r|

COC(=O)c1c(F)cccc1Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(CC#CC)c1=O |r|

COC(=O)Cc1ccccc1Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(CC#CC)c1=O |r|

CC#CCn1c(cc(=O)n(Cc2ccccc2C(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(cc(=O)n(Cc2ccccc2CC(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(cc(=O)n(Cc2ccc(Cl)cc2C(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(cc(=O)n(Cc2cc(Br)ccc2C(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(cc(=O)n(Cc2cc(ccc2C(O)=O)C#N)c1=O)N1CCC[C@@H](N)C1 |r|

COC(=O)c1ccc(Br)cc1Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(CC#CC)c1=O |r|

CC#CCn1c(cc(=O)n(Cc2ccc(F)cc2C(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|

COc1ccc(C(O)=O)c(Cn2c(=O)cc(N3CCC[C@@H](N)C3)n(CC#CC)c2=O)c1 |r|

CC#CCn1c(cc(=O)n(Cc2ccc(Br)cc2C(O)=O)c1=O)N1CCC[C@@H](N)C1 |r|

COc1ccc(CN2CCCn3c2nc(=O)c2n(CC#CC)c(nc32)N2CCC[C@@H](N)C2)cc1 |r|

CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C

CC#CCn1c(nc2n3CCCN(CCCc4ccccc4)c3nc(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n3CCCN(CC(=O)c4ccccc4)c3nc(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2N3CCCN=C3N(CCCc3ccccc3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(CC(=O)C4CC4)c3C2=O)nc2ccccc12 |r,t:6|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4cc(F)cs4)c3C2=O)nc2ccccc12 |r,t:6|

CC#CCn1c(nc2N3CCN=C3N(Cc3ccc(cc3)C#N)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|

CC#CCn1c(nc2n3CCCN(Cc4cccc5ccccc45)c3nc(=O)c12)N1CCC[C@@H](N)C1 |r|

Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(CC#N)c3C2=O)nc2ccccc12 |r,t:6|

CC#CCn1c(nc2N3CCN=C3N(Cc3cccc(c3)C#N)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|

O=c1[nH]c2nc(N3CCNCC3)n(Cc3ccccc3)c2c(=O)[nH]1

Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3)c2c(=O)n(C)c1=O |w:9.9|

COc1cc2ccc3c(c2cc1OC)C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@H]1C(F)(F)F)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1C[C@H](N)[C@H](O[C@H]1C(F)(F)F)c1cc(F)ccc1F |r|

N[C@H]1C[C@H]([C@H](O[C@@H]1c1cc(F)ccc1F)C(F)(F)F)N1CCC(F)(F)C1 |r|

N[C@H]1C[C@H]([C@H](O[C@@H]1c1cc(F)ccc1F)C(F)(F)F)N1Cc2c[nH]nc2C1 |r|

CCOC(=O)c1nc2CN(Cc2n1C)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|

Cn1c2CN(Cc2nc1C(N)=O)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)c(F)cc1F |r|

N[C@H]1C[C@H]([C@H](O[C@@H]1c1cc(F)ccc1F)C(F)(F)F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1 |r|

N[C@H]1C[C@H]([C@H](O[C@@H]1c1cc(F)ccc1F)C(F)(F)F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1 |r|

CCS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|

CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)[C@H]1F)c1cc(F)ccc1F |r|

Cc1ccc(NS(=O)(=O)c2ccc3CCCCc3c2)cc1

CC#CCn1c(cc(=O)n(Cc2cn(CC(=O)N(C)C)nn2)c1=O)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(cc(=O)n(Cc2nc(C)c3cc(C)ccc3n2)c1=O)N1CCC[C@H](N)C1 |r|

CC#CC(CC(O)=O)c1ccc(OCc2cccc(CN3CCC4N=C(OC4C3)C3CC3)c2)cc1 |c:24|

N[C@@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ncc(Oc2c[nH]nc2C2=CCC(F)(F)CC2)cn1 |r,t:28|

CC#CCN1C2C(N=C1N1CCC[C@H](N)C1)N(C)C(=O)N(C(C)c1nc(C)c3ccccc3n1)C2=O |r,c:7|

CCOC(=O)c1c(cc(C(C)C)c(C(=O)OCC)c1-c1cc2ccc(cc2[nH]1)-c1ccc2c(C)cccc2c1)C(C)C

[O-][N+](=O)c1cccc(\C=N\N2C(NC3NC=CS3)c3cc(I)ccc3N=C2c2ccccc2)c1 |c:15,27|

N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|

N[C@@H](Cc1ccc(cc1)-c1cn(nn1)C1CC1)C(=O)N1CCC[C@H]1C#N

OC12CC3CC(C1)CC(C3)(C2)N(CC(=O)N1CCC[C@H]1C#N)C(=O)CCCCCl |r,TLB:9:8:4.3.2:6,0:1:4:7.8.9,THB:9:3:6:7.8.10,10:8:4:2.1.6,10:1:4:7.8.9,11:8:4:2.1.6,11:8:4.3.2:6|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nc(no3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)n3cc(nn3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nc(cs3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nc(c[nH]3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3ncc(o3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3cc(on3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)c3nnnn3-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(no3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(ns3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nnc([nH]3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3cc(C)nn3-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3nc(cs3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3noc(n3)-c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3ncc(C)cn3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CCc1cnc(nc1)N1CCN(CCCn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)CC1 |r|

CCCc1cnc(nc1)N1CCN(CCCn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)CC1 |r|

COc1cnc(nc1)N1CCN(CCCn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)CC1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3ncc(F)cn3)c(=O)c12)N1CCC[C@@H](N)C1 |r|

CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3ncc(cn3)C(F)(F)F)c(=O)c12)N1CCC[C@@H](N)C1 |r|

N[C@@H](CCn1cc(nn1)-c1ccccn1)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CCn1cc(nn1)-c1cccnc1)Cc1cc(F)c(F)cc1F |r|

N[C@@H](CCn1ccnn1)Cc1cc(F)c(F)cc1F |r|

Cc1cn(CC[C@H](N)Cc2cc(F)c(F)cc2F)nn1 |r|

CC(C)(C)c1cn(CC[C@H](N)Cc2cc(F)c(F)cc2F)nn1 |r|

N[C@@H](Cc1cn(nn1)-c1cccnc1)Cc1cc(F)c(F)cc1F |r|

N[C@@H](Cc1cn(nn1)-c1ccncc1)Cc1cc(F)c(F)cc1F |r|

N[C@@H](Cc1cn(nn1)-c1cccc2ncccc12)Cc1cc(F)c(F)cc1F |r|

N[C@@H](Cc1cn(nn1)-c1ccc2ncccc2c1)Cc1cc(F)c(F)cc1F |r|

[O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1

N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)NC(=O)c1ccccc1 |r|

CS(=O)(=NS(=O)(=O)c1ccccc1)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|

Cc1ccc(Nc2cc(nc3ccnn23)N2CCC[C@@H](N)C2)c(N)c1 |r|

Cc1ccc(Nc2cc(nc3ccnn23)N2CCC[C@@H](N)C2)c(C)c1 |r|

N[C@@H]1CCCN(C1)c1cc(Nc2ccccc2Cl)n2nccc2n1 |r|

N[C@@H]1CCCN(C1)c1cc(Nc2ccc(F)cc2F)n2nccc2n1 |r|

N[C@@H]1CCCN(C1)c1cc(Nc2ccc(Cl)cc2Cl)n2nccc2n1 |r|

N[C@@H]1CCCN(C1)c1cc(Nc2ccccc2[N+]([O-])=O)n2nccc2n1 |r|

CN(c1ccccc1)c1cc(nc2ccnn12)N1CCC[C@@H](N)C1 |r|

N[C@@H]1CCCN(C1)c1cc(NCc2ccccc2)n2nccc2n1 |r|

N[C@@H]1CCCN(C1)c1cc(NCc2ccc(O)cc2)n2nccc2n1 |r|

N[C@@H]1CCCN(C1)c1cc(NCc2ccc(Cl)cc2Cl)n2nccc2n1 |r|

N[C@@H]1CCCN(C1)c1cc(NCCc2ccc(Cl)cc2Cl)n2nccc2n1 |r|

Cc1ccnc(Nc2cc(nc3ccnn23)N2CCC[C@@H](N)C2)c1 |r|

N[C@@H]1CCCN(C1)c1cc(Nc2cc(F)ccn2)n2nccc2n1 |r|

N[C@@H]1CCCN(C1)c1cc(Nc2cc(Cl)ccn2)n2nccc2n1 |r|

N[C@@H]1CCCN(C1)c1cc(Nc2cc[nH]n2)n2nccc2n1 |r|

Cc1ccc(Nc2cc(nc3ccnn23)N2CCNCC2)c(N)c1

Cc1ccc(Nc2cc(nc3ccnn23)N2CCNCC2)c(C)c1

Clc1ccccc1Nc1cc(nc2ccnn12)N1CCNCC1

Fc1ccc(Nc2cc(nc3ccnn23)N2CCNCC2)c(F)c1

[O-][N+](=O)c1ccccc1Nc1cc(nc2ccnn12)N1CCNCC1

CN(c1ccccc1)c1cc(nc2ccnn12)N1CCNCC1

Clc1ccc(Nc2cc(nc3ccnn23)N2CCNCC2)c(Cl)c1

Clc1ccc(CCNc2cc(nc3ccnn23)N2CCNCC2)c(Cl)c1

Fc1ccc(CNc2cc(nc3ccnn23)N2CCNCC2)c(F)c1

Cc1ccnc(Nc2cc(nc3ccnn23)N2CCNCC2)c1

C1CN(CCO1)c1cc(Nc2cc[nH]n2)n2nccc2n1

CC(C)(C)Nc1cc(NC(C)(C)C)n2nccc2n1

CC#CCn1c(nc2n(C)c(=O)n(CC3=NC4C=CC=CC4C(C)=N3)c(=O)c12)N1CCC[C@@H](N)C1 |r,c:17,19,24,t:14|

C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|

FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|

FC(F)(F)c1cc(Cl)ccc1-c1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2Br)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2cccc(Br)c2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Br)cc2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2I)n1 |r|

COc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2-c2ccc3ccccc3c2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)c(Cl)c2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2cc(Cl)ccc2Cl)n1 |r|

Fc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1F |r|

Fc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)c(Cl)c1 |r|

Cc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|

FC(F)(F)Oc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)C#N)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-c2ccc(cc2)C#N)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-c2ccc(Cl)cc2)n1 |r|

CSc1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|

C[S+]([O-])c1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|

CS(=O)(=O)c1ccc(Cc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-n2cccn2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(cc2)-n2cncn2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CCCc2ccc(Cl)c(Cl)c2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CCCc2ccc(cc2)C#N)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CSc2ccc(Cl)c(Cl)c2)n1 |r|

Cc1ccc(SCc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CSc2ccc(cc2)C#N)n1 |r|

FC(F)(F)c1ccc(SCc2nc(cs2)C(=O)NCC(=O)N2CC(F)(F)C[C@H]2C#N)cc1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CS(=O)(=O)c2ccc(cc2)C#N)n1 |r|

FC(F)(F)c1ccc(cc1)S(=O)(=O)Cc1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|

Cc1ccc(cc1)S(=O)(=O)Cc1nc(cs1)C(=O)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(COc2ccc(Cl)c(Cl)c2)n1 |r|

FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(COc2ccc(cc2)C#N)n1 |r|

CC[C@]12C[C@@H]3C[C@H](C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:5:6:11:4.10.3,5:4:11:6.8.7,THB:3:2:8:4.10.5,3:4:8:2.11.7|

CC(C)NCC(=O)N1CCC[C@H]1C#N

O=C(CNC1CCC1)N1CCC[C@H]1C#N

FC(F)(F)c1ccc(N[C@H]2CCC(CC2)NCC(=O)N2CCC[C@H]2C#N)nc1 |wD:23.25,9.8,(-6.88,-9.92,;-6.86,-8.52,;-8.11,-9.52,;-5.62,-9.54,;-6.85,-6.98,;-8.18,-6.2,;-8.18,-4.66,;-6.83,-3.92,;-6.82,-2.38,;-5.48,-1.61,;-4.16,-2.38,;-2.84,-1.61,;-2.84,-.08,;-4.16,.69,;-5.48,-.08,;-1.71,.95,;-.25,.48,;.91,1.53,;.58,3.02,;2.37,1.05,;2.85,-.43,;4.4,-.43,;4.87,1.05,;3.61,1.95,;4.38,3.3,;5.13,4.63,;-5.51,-4.68,;-5.51,-6.21,)|

O=C(CCC1CCCCC1)N1CCC[C@H]1C#N

CC(C)(C)NC(=O)O[C@]12C[C@H]3C[C@H](CC(C3)(C1)NCC(=O)N1CCC[C@H]1C#N)C2 |TLB:28:8:15:12.13.11,11:12:16:10.15.9,THB:28:12:15:8.16.9,11:10:16:12.13.28|

O=C(CNCCOc1ccccc1)N1CCC[C@H]1C#N

O=C(CNC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N1CCc2ccccc2C1 |THB:9:8:5:10.12.11,9:10:5:8.13.7|

O=C(CNC1CCN(CC1)c1nc2ccccc2s1)N1CCC[C@H]1C#N

CN(CC(=O)N1CCC[C@H]1C#N)C1CCCCC1

CCCCCCNCC(=O)N1CCC[C@H]1C#N

O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@@H]1C#N

CC(C)(C)CCNCC(=O)N1CCC[C@H]1C#N

CC(C)C(NCC(=O)N1CCC[C@H]1C#N)C(C)C

OC1CCN(C1)C(=O)CNC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:17:12:19:16.18.15,17:16:19:12.11.13|

CCC(CC)NCC(=O)N1CCC[C@H]1C#N

O=C(CNC1CCCCCCC1)N1CCC[C@H]1C#N

CCC(C)(C)NCC(=O)N1CCC[C@H]1C#N

CC(C)(C)CC(C)(C)NCC(=O)N1CCC[C@H]1C#N

O=C(CNC1CC[C@@H](CC1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N |wD:23.26,7.10,(9.43,3.59,;9.76,2.08,;8.61,1.04,;7.14,1.51,;6,.47,;6,-1.07,;4.67,-1.83,;3.34,-1.07,;3.34,.47,;4.67,1.25,;2.01,-1.83,;1.99,-3.37,;.66,-4.13,;.65,-5.67,;1.98,-6.45,;3.32,-5.68,;3.32,-4.14,;1.98,-7.99,;1.97,-9.53,;11.23,1.6,;11.71,.13,;13.25,.13,;13.73,1.6,;12.48,2.51,;13.24,3.85,;14,5.2,)|

O=C(CNCC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N1CCC[C@H]1C#N |TLB:8:9:13:7.6.12,THB:8:7:13:9.14.10|

CC(N)(CO)C(O)NCC(=O)N1CCC[C@H]1C#N

CC(C)N(C(C)C)C(=O)O[C@]12C[C@H]3C[C@H](CC(C3)(C1)NCC(=O)N1CCC[C@H]1C#N)C2 |TLB:17:16:30:12.11.13,17:12:30:16.18.15,13:14:18:12.11.17,THB:13:12:18:14.30.15,19:16:30:12.11.13|

O=C(CNC1Cc2ccccc2C1)N1CCC[C@H]1C#N

OCCCCCNCC(=O)N1CCC[C@H]1C#N

O[C@]12C[C@@H]3C[C@H](C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:4:3:10:5.7.6,4:5:10:3.9.2,THB:2:1:7:3.9.4,2:3:7:1.10.6|

CN[C@@H](C(C)C)C(=O)N1CCC[C@H]1C#N

CCC(CO)NCC(=O)N1CCC[C@H]1C#N

O=C(CNCCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N

NC(=O)[C@@H]1CCCN1C(=O)CNC12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2 |TLB:15:16:21:14.13.20,20:18:22:14.13.15,20:14:22:18.21.17,THB:15:14:21:16.22.17|

O=C(CNC1CC1)N1CCC[C@H]1C#N

O=C(CNC1CC[C@@H](CC1)Nc1nc2ccccc2s1)N1CCC[C@H]1C#N |wD:24.28,7.10,(.52,3.61,;.85,2.1,;-.3,1.07,;-1.77,1.53,;-2.91,.49,;-2.91,-1.05,;-4.24,-1.8,;-5.55,-1.05,;-5.55,.49,;-4.24,1.28,;-6.9,-1.8,;-6.91,-3.34,;-8.16,-4.25,;-7.69,-5.72,;-8.46,-7.03,;-7.69,-8.38,;-6.15,-8.36,;-5.38,-7.05,;-6.15,-5.72,;-5.66,-4.25,;2.32,1.63,;2.8,.16,;4.35,.16,;4.83,1.63,;3.57,2.54,;4.32,3.89,;5.09,5.22,)|

[O-][N+](=O)c1ccc(NCCNCCC(=O)N2CCC[C@@H]2C#N)nc1

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C#N

O=C([C@@H](NC1CCCCC1)C1CCCCC1)N1CCC[C@H]1C#N

O=C(NC1CCCCC1)O[C@]12C[C@H]3C[C@H](CC(C3)(C1)NCC(=O)N1CCC[C@H]1C#N)C2 |TLB:30:10:17:14.15.13,13:14:18:12.17.11,THB:30:14:17:10.18.11,13:12:18:14.15.30|

OC(=O)[C@@H]1CCCN1C(=O)CNC12C[C@H]3C[C@H](C[C@](O)(C3)C1)C2 |TLB:15:16:21:14.13.20,20:18:22:14.13.15,20:14:22:18.21.17,THB:15:14:21:16.22.17|

CCCCCCCNCC(=O)N1CCC[C@H]1C#N

O=C(CNC1CCN(CC1)C(=O)C1CCCCC1)N1CCC[C@H]1C#N

O=C(CNC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)N1CCC[C@H]1C#N |TLB:3:4:10:7.12.8,THB:8:9:4:7.6.12,6:5:10:7.12.8,6:7:5.4.13:10|

O=C(CNCCCc1ccccc1)N1CCC[C@H]1C#N

CC(=O)O[C@]12C[C@H]3C[C@H](CC(C3)(C1)NCC(=O)N1CCC[C@H]1C#N)C2 |TLB:24:4:11:8.9.7,7:8:12:6.11.5,THB:24:8:11:4.12.5,7:6:12:8.9.24|

CC1C2CC(CC1NCC(=O)N1CCC[C@H]1C#N)C2(C)C

COc1ccc(NC(=O)O[C@]23C[C@H]4C[C@H](CC(C4)(C2)NCC(=O)N2CCC[C@H]2C#N)C3)cc1 |TLB:30:10:17:14.15.13,13:14:18:12.17.11,THB:30:14:17:10.18.11,13:12:18:14.15.30|

CC(C)(CNc1ccc(cn1)C#N)NCC(=O)N1CCC[C@H]1C#N

O=C(CNC1CC2CCC1C2)N1CCC[C@H]1C#N |TLB:3:4:10:8.7|

CC1(C)C2CC1CC(CNCC(=O)N1CCC[C@H]1C#N)C2

CCCCNCC(=O)N1CCC[C@H]1C#N

OCC1(CCCC1)NCC(=O)N1CCC[C@H]1C#N

CC(N)(CNCC(=O)N1CCC[C@H]1C#N)C(O)=O

FC(F)(F)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1

O=C(CNC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N1CCCC1 |TLB:5:4:6.7.11:9,11:6:13:10.12.9,11:10:13:6.5.7,THB:3:4:6.7.11:9|

O=C(Nc1ccccc1)O[C@]12C[C@H]3C[C@H](CC(C3)(C1)NCC(=O)N1CCC[C@H]1C#N)C2 |TLB:30:10:17:14.15.13,13:14:18:12.17.11,THB:30:14:17:10.18.11,13:12:18:14.15.30|

O=C(CNC1CCCCC1)N1CCC[C@H]1C#N

O=C(CNC1CCCCCCCCCCC1)N1CCC[C@H]1C#N

NC(=O)[C@@H]1CCCN1C(=O)CNCCNc1ccc(cn1)C#N

CC(C)(Cc1ccccc1)NCC(=O)N1CCC[C@H]1C#N

FC(F)(F)c1ccc(nc1)N1CCC(CC1)NCC(=O)N1CCC[C@H]1C#N

O=C(CNC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N1CCC1 |TLB:5:4:6.7.11:9,11:6:13:10.12.9,11:10:13:6.5.7,THB:3:4:6.7.11:9|

O=C(CNCCNc1ccccc1)N1CCC[C@H]1C#N

O=C(CNCc1cccc2ccccc12)N1CCC[C@H]1C#N

O=C(CNC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N1CCCCC1 |TLB:5:4:6.7.11:9,11:6:13:10.12.9,11:10:13:6.5.7,THB:3:4:6.7.11:9|

CCCNCC(=O)N1CCC[C@H]1C#N

Clc1ccc(O[C@H]2CCC(CC2)NCC(=O)N2CCC[C@H]2C#N)cc1 |wD:20.22,6.5,(-7.99,-6.63,;-7.97,-5.09,;-9.3,-4.32,;-9.3,-2.78,;-7.97,-2.01,;-7.95,-.47,;-6.6,.3,;-5.29,-.47,;-3.96,.3,;-3.96,1.83,;-5.29,2.6,;-6.6,1.83,;-2.81,2.87,;-1.35,2.39,;-.2,3.44,;-.53,4.95,;1.27,2.96,;1.75,1.49,;3.3,1.49,;3.78,2.96,;2.52,3.86,;3.29,5.22,;4.04,6.57,;-6.62,-2.78,;-6.62,-4.32,)|

CCCCCNCC(=O)N1CCC[C@H]1C#N

O=C(CNC1CC[C@@H](CC1)NC(=O)C1CCCCC1)N1CCC[C@H]1C#N |wD:7.10,23.26,(-.06,4.36,;.26,2.86,;-.88,1.81,;-2.35,2.29,;-3.49,1.25,;-3.49,-.29,;-4.82,-1.06,;-6.14,-.29,;-6.14,1.25,;-4.82,2.02,;-7.48,-1.06,;-7.51,-2.6,;-6.16,-3.37,;-8.84,-3.36,;-8.84,-4.88,;-10.19,-5.65,;-11.49,-4.86,;-11.49,-3.32,;-10.17,-2.57,;1.73,2.38,;2.22,.9,;3.76,.9,;4.25,2.38,;2.99,3.28,;3.74,4.64,;4.51,5.99,)|

NC1=C2CCCN2C(=O)CN1CCNc1ccc(cn1)C#N |c:1|

CC(C)(N)C(O)NCC(=O)N1CCC[C@H]1C#N

O=C(CNCCC(c1ccccc1)c1ccccc1)N1CCC[C@H]1C#N

O=C(CNCCNc1ncccn1)N1CCC[C@H]1C#N

O=C(CNC1CCCCCC1)N1CCC[C@H]1C#N

[O-][N+](=O)c1ccc(NCCNCC(=O)N2CCCC2)nc1

O=C(CNCCNc1ccccn1)N1CCC[C@H]1C#N

CCNCC(=O)N1CCC[C@H]1C#N

OCC1(CCCCC1)NCC(=O)N1CCC[C@H]1C#N

[O-][N+](=O)c1ccc(NCCNCC(=O)N2CCSC2)nc1

O=C(CNCc1ccccc1)N1CCC[C@H]1C#N

C[C@@]12C[C@H]3C[C@@](C)(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:4:5:11:3.10.2,4:3:11:5.8.7,0:1:8:3.10.4,THB:2:1:8:3.10.4,2:3:8:1.11.7|

FC(F)(F)c1cccnc1NCCNCC(=O)N1CCC[C@H]1C#N

O=C(CNC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N1CCC[C@H]1C#N |TLB:11:6:13:10.12.9,11:10:13:6.5.7|

O=C(CNc1nc2ccccc2[nH]1)N1CCC[C@H]1C#N

Clc1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1

N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(NS(=O)(=O)CC(F)(F)F)cc1)C(=O)N1CCCC1 |r,wU:5.8,wD:2.1,1.0,(13.27,5.92,;14.6,5.15,;14.6,3.61,;13.27,2.83,;13.27,1.28,;14.6,.51,;15.95,1.28,;15.95,2.83,;14.6,-1.03,;13.27,-1.79,;14.03,-3.13,;12.5,-.46,;11.93,-2.55,;10.6,-1.76,;9.26,-2.51,;9.25,-4.05,;7.91,-4.81,;7.89,-6.35,;6.35,-6.34,;9.43,-6.37,;7.88,-7.89,;6.54,-8.65,;5.2,-9.4,;7.3,-9.99,;5.78,-7.31,;10.58,-4.84,;11.91,-4.08,;15.93,5.92,;15.93,7.46,;17.27,5.15,;17.43,3.63,;18.93,3.31,;19.7,4.64,;18.67,5.79,)|

N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CCCC1 |wU:1.0,5.8,wD:2.7,(5.83,-7.06,;5.83,-5.5,;4.5,-4.73,;4.5,-3.19,;3.16,-2.42,;1.83,-3.19,;1.83,-4.73,;3.16,-5.5,;.48,-2.39,;-.86,-3.16,;-.07,-4.51,;-2.2,-3.94,;-1.63,-1.81,;-.86,-.48,;-1.63,.86,;-3.18,.86,;-3.97,2.2,;-3.95,-.48,;-3.18,-1.81,;-3.97,-3.14,;7.16,-4.73,;7.16,-3.19,;8.51,-5.5,;9.85,-4.73,;11,-5.78,;10.37,-7.18,;8.84,-7.02,)|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1F)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.22,(19.22,3.49,;17.88,2.72,;16.55,1.94,;16.55,.4,;17.88,-.36,;19.21,.4,;19.21,1.94,;17.88,-1.9,;19.21,-2.67,;20.54,-1.9,;19.21,-4.21,;20.54,-3.44,;21.86,-2.67,;23.19,-3.44,;23.19,-4.98,;24.53,-5.75,;21.86,-5.75,;21.85,-7.29,;20.53,-4.98,;19.2,-5.74,;17.88,4.26,;16.55,5.03,;19.21,5.06,;19.21,6.58,;20.54,4.26,;21.96,4.89,;22.99,3.75,;22.22,2.4,;20.7,2.72,)|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(I)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:18.20,(-6.59,8.08,;-5.25,7.31,;-6.57,6.54,;-6.57,5,;-5.25,4.22,;-3.92,5,;-3.92,6.54,;-5.25,2.68,;-3.9,1.91,;-2.57,2.68,;-3.9,.37,;-2.57,1.14,;-1.25,1.91,;.08,1.15,;.08,-.41,;1.41,-1.18,;-1.25,-1.17,;-2.59,-.4,;-5.25,8.85,;-6.59,9.62,;-3.9,9.64,;-3.9,11.18,;-2.57,8.87,;-1.16,9.48,;-.13,8.33,;-.9,7.01,;-2.41,7.33,)|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1F)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.22,(1.73,2.31,;3.07,1.54,;1.75,.76,;1.75,-.78,;3.07,-1.54,;4.4,-.78,;4.4,.76,;3.07,-3.09,;4.42,-3.86,;4.42,-5.4,;5.75,-3.09,;5.75,-4.63,;7.07,-3.86,;8.4,-4.61,;8.4,-6.17,;9.73,-6.94,;7.07,-6.93,;7.07,-8.47,;5.74,-6.16,;4.4,-6.93,;3.07,3.09,;1.74,3.86,;4.42,3.87,;4.42,5.42,;5.75,3.09,;7.16,3.72,;8.19,2.57,;7.42,1.23,;5.92,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccccc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,18.20,1.0,(2.84,-3.3,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-3.86,2.13,;-5.19,2.9,;-6.52,2.13,;-7.87,2.89,;-7.87,4.44,;-6.52,5.21,;-5.19,4.44,;4.17,-2.53,;4.17,-4.08,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;8.19,-1.76,;9.34,-2.81,;8.71,-4.19,;7.18,-4.05,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)Nc1ccc(F)c(F)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:19.21,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;7.07,-5.39,;8.4,-6.14,;8.41,-7.7,;9.74,-8.47,;7.07,-8.47,;7.07,-10.01,;5.74,-7.7,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccc2ccccc2c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:22.25,(1.73,2.31,;3.07,1.54,;1.75,.76,;1.75,-.78,;3.07,-1.54,;4.4,-.78,;4.4,.76,;3.07,-3.09,;4.42,-3.86,;5.75,-3.09,;4.42,-5.4,;5.75,-6.17,;5.75,-7.72,;7.08,-8.47,;7.09,-10.02,;5.75,-10.79,;5.75,-12.32,;4.43,-13.09,;3.09,-12.32,;3.09,-10.79,;4.42,-10.02,;4.42,-8.47,;3.07,3.09,;1.74,3.86,;4.42,3.87,;4.42,5.42,;5.75,3.09,;7.16,3.72,;8.19,2.57,;7.42,1.23,;5.92,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccccc1)[C@H](N)C(=O)N1CCCC1 |wU:4.7,18.20,1.0,(2.84,-3.3,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;4.17,-2.53,;4.17,-4.08,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;8.19,-1.76,;9.34,-2.81,;8.71,-4.19,;7.18,-4.05,)|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCSC1 |wU:22.24,4.7,1.0,(4.31,-7.01,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;5.64,-6.24,;5.64,-7.78,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;9.64,-5.47,;10.79,-6.5,;10.15,-7.9,;8.62,-7.74,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(I)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:17.19,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;4.39,-9.99,;3.06,-7.68,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(Cl)c(Cl)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:18.20,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;4.39,-9.99,;3.06,-7.68,;1.73,-8.45,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cnc2ccccc2c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.23,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;4.39,-9.99,;3.08,-10.76,;1.73,-9.99,;1.73,-8.45,;3.06,-7.68,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@H](N)CC1)[C@H](N)C(=O)N1CCSC1 |wU:4.4,1.0,wD:8.9,(-3.17,2.54,;-1.84,1.77,;-3.15,1,;-3.15,-.54,;-1.84,-1.31,;-1.84,-2.85,;-.51,-.54,;-.51,1,;-1.84,3.31,;-3.17,4.08,;-.49,4.08,;-.49,5.64,;.84,3.31,;2.25,3.94,;3.27,2.8,;2.5,1.46,;1,1.79,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)[C@H](N)C(=O)N1CCCC1 |wU:4.7,18.20,1.0,(2.09,-2.17,;2.09,-.63,;2.09,.91,;.75,1.67,;-.57,.91,;-.57,-.63,;.75,-1.4,;-1.9,1.69,;-3.23,.93,;-3.23,-.61,;-4.57,1.69,;-5.89,.93,;-7.24,1.69,;-7.24,3.24,;-8.57,4.01,;-5.89,4.01,;-5.87,5.54,;-4.57,3.24,;3.41,-1.4,;3.41,-2.93,;4.74,-.63,;4.74,.91,;6.07,-1.4,;6.39,-2.9,;7.9,-3.05,;8.54,-1.67,;7.39,-.63,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cncc2ccccc12)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.23,(9.96,1.56,;11.3,.8,;9.98,.02,;9.98,-1.53,;11.3,-2.29,;12.63,-1.53,;12.63,.02,;11.3,-3.83,;12.65,-4.61,;13.98,-3.83,;12.65,-6.15,;11.3,-6.91,;11.3,-8.45,;12.63,-9.22,;13.98,-8.43,;15.3,-9.2,;16.63,-8.43,;16.62,-6.88,;15.29,-6.13,;13.97,-6.91,;11.3,2.34,;9.97,3.11,;12.65,3.13,;12.65,4.67,;13.98,2.34,;15.39,2.97,;16.42,1.82,;15.65,.48,;14.15,.81,)|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCCC1 |wU:22.24,4.7,1.0,(4.31,-7.01,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;5.64,-6.24,;5.64,-7.78,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;8.62,-7.74,;10.15,-7.9,;10.79,-6.5,;9.64,-5.47,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,18.20,1.0,(2.09,-2.17,;2.09,-.63,;2.09,.91,;.75,1.67,;-.57,.91,;-.57,-.63,;.75,-1.4,;-1.9,1.69,;-3.23,.93,;-3.23,-.61,;-4.57,1.69,;-5.89,.93,;-7.24,1.69,;-7.24,3.24,;-8.57,4.01,;-5.89,4.01,;-5.87,5.54,;-4.57,3.24,;3.41,-1.4,;3.41,-2.93,;4.74,-.63,;4.74,.91,;6.07,-1.4,;7.39,-.63,;8.54,-1.67,;7.9,-3.05,;6.39,-2.9,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:19.21,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;7.07,-5.39,;8.4,-6.14,;8.41,-7.7,;9.74,-8.47,;7.07,-8.47,;7.07,-10.01,;5.74,-7.7,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc2ccccc2c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:21.24,(1.73,2.31,;3.07,1.54,;1.75,.76,;1.75,-.78,;3.07,-1.54,;4.4,-.78,;4.4,.76,;3.07,-3.09,;4.42,-3.86,;5.75,-3.09,;4.42,-5.4,;5.75,-4.63,;5.74,-6.16,;7.07,-6.93,;8.4,-6.16,;9.73,-6.93,;11.07,-6.16,;11.06,-4.61,;9.73,-3.86,;8.4,-4.61,;7.07,-3.86,;3.07,3.09,;1.74,3.86,;4.42,3.87,;4.42,5.42,;5.75,3.09,;7.16,3.72,;8.19,2.57,;7.42,1.23,;5.92,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)Nc1ccc(I)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:18.20,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;5.74,-7.7,;7.07,-8.47,;8.41,-7.7,;9.74,-8.47,;8.4,-6.14,;7.07,-5.39,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCSC1 |r,wU:1.0,21.23,4.7,(35.51,-27.56,;36.6,-26.47,;36.6,-28.01,;37.93,-28.77,;39.26,-28.01,;39.26,-26.47,;37.93,-25.69,;40.59,-28.78,;41.93,-28.01,;41.93,-26.47,;43.26,-28.78,;43.25,-30.32,;44.58,-31.09,;45.92,-30.32,;47.25,-31.09,;47.25,-32.63,;48.59,-33.4,;45.92,-33.4,;47.24,-34.17,;45.92,-28.78,;44.59,-28.01,;35.27,-25.7,;35.26,-24.16,;33.93,-26.48,;33.94,-28.02,;32.6,-25.71,;31.19,-26.33,;30.16,-25.19,;30.92,-23.86,;32.43,-24.17,)|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(NC(=O)N(C)C)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:23.25,(4.87,-1.51,;6.21,-2.27,;4.88,-3.06,;4.88,-4.6,;6.21,-5.35,;7.54,-4.6,;7.54,-3.06,;6.21,-6.89,;7.54,-7.66,;8.87,-6.89,;7.54,-9.2,;8.87,-8.43,;10.18,-7.66,;11.51,-8.43,;11.51,-9.97,;12.84,-10.74,;14.19,-9.97,;15.52,-10.74,;14.19,-8.43,;15.52,-7.66,;12.84,-7.66,;10.18,-10.74,;8.85,-9.97,;6.21,-.73,;4.88,.04,;7.54,.05,;7.54,1.59,;8.87,-.73,;10.27,-.1,;11.32,-1.24,;10.55,-2.59,;9.04,-2.27,)|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1cccc(c1)C#N)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:19.21,(1.73,2.31,;3.07,1.54,;1.75,.76,;1.75,-.78,;3.07,-1.54,;4.4,-.78,;4.4,.76,;3.07,-3.09,;4.42,-3.86,;4.42,-5.4,;5.75,-3.09,;5.75,-4.63,;7.07,-3.86,;8.4,-4.61,;8.4,-6.17,;7.07,-6.93,;5.74,-6.16,;7.07,-8.47,;7.06,-10.02,;3.07,3.09,;1.74,3.86,;4.42,3.87,;4.42,5.42,;5.75,3.09,;7.16,3.72,;8.19,2.57,;7.42,1.23,;5.92,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1cccc2ccccc12)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:22.25,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;5.74,-7.7,;7.07,-8.45,;7.08,-9.99,;5.74,-10.76,;4.39,-9.99,;3.08,-10.76,;1.75,-9.99,;1.75,-8.45,;3.08,-7.68,;4.41,-8.45,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cccc2ccccc12)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:20.23,(12.92,.92,;11.58,.16,;10.25,-.63,;10.25,-2.17,;11.58,-2.92,;12.91,-2.17,;12.91,-.63,;11.58,-4.46,;12.91,-5.23,;14.24,-4.46,;12.91,-6.77,;11.58,-7.54,;11.58,-9.08,;12.91,-9.85,;14.24,-9.06,;15.57,-9.83,;16.89,-9.06,;16.88,-7.52,;15.55,-6.77,;14.24,-7.54,;11.58,1.7,;10.25,2.47,;12.91,2.47,;12.91,4.01,;14.24,1.7,;15.66,2.33,;16.69,1.18,;15.92,-.16,;14.4,.16,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.23,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;4.39,-9.99,;3.08,-10.76,;1.73,-9.99,;1.73,-8.45,;3.06,-7.68,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:22.24,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;7.07,-5.39,;8.4,-6.14,;8.41,-7.7,;9.74,-8.47,;11.07,-7.68,;12.28,-6.98,;12.58,-8.26,;11.32,-6.1,;7.07,-8.47,;5.74,-7.7,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)c1cccc2ccccc12)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.23,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.72,-6.14,;5.74,-7.68,;4.39,-8.45,;3.06,-7.68,;1.75,-8.45,;.42,-7.68,;.42,-6.14,;1.75,-5.39,;3.06,-6.14,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1ccc(Cl)c(Cl)c1)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:20.22,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;5.74,-7.7,;7.07,-8.45,;7.08,-9.99,;5.74,-10.76,;5.74,-12.3,;4.39,-9.99,;3.06,-10.76,;4.39,-8.45,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|

[H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(NC(=O)N(C)C)cc1)[C@H](N)C(=O)N1CCCC1 |wU:4.7,1.0,wD:23.25,(10.79,7.46,;12.14,6.7,;10.81,5.91,;10.81,4.36,;12.14,3.6,;13.47,4.36,;13.47,5.91,;12.14,2.06,;13.48,1.29,;13.48,-.26,;14.81,2.06,;14.81,.51,;16.12,1.29,;17.45,.53,;17.45,-1.03,;18.8,-1.8,;20.13,-1.03,;20.13,.51,;21.47,-1.8,;21.46,-3.34,;22.81,-1.03,;16.12,-1.78,;14.79,-1.01,;12.14,8.23,;10.8,9,;13.48,9.01,;13.48,10.55,;14.81,8.24,;14.97,6.7,;16.48,6.38,;17.26,7.72,;16.21,8.85,)|

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N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](F)C1 |wU:5.8,1.0,24.26,wD:2.2,(5.79,-6.89,;5.79,-5.34,;4.46,-4.57,;4.46,-3.02,;3.12,-2.25,;1.8,-3.02,;1.8,-4.57,;3.12,-5.34,;.45,-2.22,;-.88,-2.99,;-.88,-4.55,;-2.22,-2.22,;-3.56,-2.99,;-4.89,-2.22,;-4.89,-.68,;-6.22,.09,;-7.57,-.68,;-7.57,-2.22,;-6.23,-2.99,;7.12,-4.57,;7.12,-3.02,;8.45,-5.34,;9.79,-4.57,;10.94,-5.6,;10.31,-7,;11.08,-8.36,;8.78,-6.84,)|

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N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1 |wU:1.0,5.8,wD:2.7,(5.64,-7.78,;5.64,-6.24,;4.31,-5.47,;4.31,-3.92,;2.98,-3.15,;1.65,-3.92,;1.65,-5.47,;2.98,-6.24,;.31,-3.13,;-1.02,-3.9,;-.25,-5.25,;-2.37,-4.68,;-1.79,-2.56,;-1.02,-1.23,;-1.79,.11,;-3.34,.11,;-4.12,1.44,;-5.67,1.44,;-5.67,-.1,;-5.67,2.97,;-7.21,1.44,;-4.11,-1.23,;-3.34,-2.56,;6.97,-5.47,;6.97,-3.92,;8.3,-6.24,;9.64,-5.47,;10.79,-6.5,;10.15,-7.9,;8.62,-7.74,)|

N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](F)[C@H](F)C1 |wU:5.8,1.0,25.27,wD:2.7,23.25,(4.17,-4.08,;4.17,-2.53,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;7.18,-4.05,;8.71,-4.19,;9.48,-5.56,;9.34,-2.81,;10.87,-2.51,;8.19,-1.76,)|

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N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1CCC(F)(F)C1 |wU:5.8,1.0,wD:2.7,(4.17,-4.08,;4.17,-2.53,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;8.19,-1.76,;9.34,-2.81,;8.71,-4.19,;8.68,-5.74,;10.11,-4.85,;7.18,-4.05,)|

N[C@@H](C1CCCCC1)C(=O)N1CCSC1

N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCC(F)(F)C1 |wU:5.8,1.0,wD:2.2,(3.86,-3.65,;3.86,-2.11,;2.53,-1.34,;2.53,.21,;1.2,.98,;-.13,.21,;-.13,-1.34,;1.2,-2.11,;-1.49,1,;-2.82,.23,;-2.82,-1.31,;-4.15,1,;-5.48,.23,;-6.83,1,;-6.83,2.56,;-8.18,3.33,;-5.48,3.33,;-5.46,4.87,;-4.15,2.56,;5.19,-1.34,;5.19,.21,;6.53,-2.11,;7.87,-1.34,;9.01,-2.38,;8.38,-3.76,;9.08,-5.14,;7.54,-5.07,;6.86,-3.62,)|

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N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCSC1 |wU:5.8,1.0,wD:2.2,(3.41,-2.93,;3.41,-1.4,;2.09,-.63,;2.09,.91,;.75,1.67,;-.57,.91,;-.57,-.63,;.75,-1.4,;-1.9,1.69,;-3.23,.93,;-3.23,-.61,;-4.57,1.69,;-5.89,.93,;-7.24,1.69,;-7.24,3.24,;-8.57,4.01,;-5.89,4.01,;-5.87,5.54,;-4.57,3.24,;4.74,-.63,;4.74,.91,;6.07,-1.4,;7.39,-.63,;8.54,-1.67,;7.9,-3.05,;6.39,-2.9,)|

N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](F)C1

N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@H](F)C1 |wU:5.8,1.0,wD:2.7,26.28,(6.77,-10.92,;6.77,-9.36,;5.44,-8.59,;5.44,-7.05,;4.11,-6.28,;2.78,-7.05,;2.78,-8.59,;4.11,-9.36,;1.43,-6.26,;.1,-7.03,;.1,-8.57,;-1.23,-6.26,;-1.23,-4.71,;-2.56,-3.94,;-3.91,-4.71,;-3.91,-6.26,;-2.57,-7.03,;-2.57,-8.57,;-4.11,-8.57,;-1.03,-8.57,;-2.57,-10.11,;8.1,-8.59,;8.1,-7.05,;9.45,-9.36,;10.79,-8.59,;11.93,-9.64,;11.3,-11.04,;12.07,-12.4,;9.78,-10.88,)|

N[C@@H](C1CCCCC1)C(=O)N1CC[C@@H](F)C1

N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(F)c(F)c1)C(=O)N1CCCC1 |wU:5.8,1.0,wD:2.2,(3.41,-2.93,;3.41,-1.4,;2.09,-.63,;2.09,.91,;.75,1.67,;-.57,.91,;-.57,-.63,;.75,-1.4,;-1.9,1.69,;-3.23,.93,;-3.23,-.61,;-4.57,1.69,;-5.89,.93,;-7.24,1.69,;-7.24,3.24,;-8.57,4.01,;-5.89,4.01,;-5.87,5.54,;-4.57,3.24,;4.74,-.63,;4.74,.91,;6.07,-1.4,;6.39,-2.9,;7.9,-3.05,;8.54,-1.67,;7.39,-.63,)|

N[C@@H](C1CCCCC1)C(=O)N1CCC(F)(F)C1 |r|

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COc1ccc(NC(=O)O[C@@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1

CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1

N[C@@H]([C@@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1

CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCSC1

CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1

N[C@@H]([C@@H]1CC[C@@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1

N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@H](C1)NC(=O)c1cccc2ccccc12)C(=O)N1CCCC1

N[C@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc(F)c1)C(=O)N1CCSC1

COc1ccc(NC(=O)O[C@@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1

COc1ccc(NC(=O)O[C@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1

CS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@H](C1)[C@H](N)C(=O)N1CCCC1

N[C@@H]([C@@H]1CC[C@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCSC1

N[C@@H]([C@H]1CC[C@@H](O)C1)C(=O)N1CCCC1

N[C@@H]([C@H]1CCC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1

COc1ccc(NC(=O)O[C@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1

N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)S(=O)(=O)C(F)(F)F)C(=O)N1CCCC1

N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)S(N)(=O)=O)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1ccccc1-c1ccccc1)C(=O)N1CCCC1

CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc(F)c1)C(=O)N1CCSC1

N[C@@H]([C@H]1CC[C@H](O)C1)C(=O)N1CCCC1

N[C@@H]([C@H]1CCC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1

COc1ccc(NC(=O)O[C@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1

N[C@@H]([C@H]1CC[C@@H](C1)NS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCCC1

CS(=O)(=O)NCCS(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1

N[C@@H]([C@H]1CCC[C@H](O)C1)C(=O)N1CCCC1

CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1

COc1ccc(NC(=O)O[C@@H]2CC[C@@H](C2)[C@H](N)C(=O)N2CCSC2)cc1

N[C@@H]([C@H]1CC[C@@H](C1)NC(=O)c1cccc2ccccc12)C(=O)N1CCSC1

COc1ccc(NC(=O)O[C@@H]2CCC[C@@H](C2)[C@H](N)C(=O)N2CCCC2)cc1

N[C@@H]([C@@H]1CC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1

N[C@@H]([C@@H]1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C(O)=O)C(=O)N1CCCC1

N[C@H]([C@H]1CC[C@H](C1)OC(=O)Nc1cccc2ccccc12)C(=O)N1CCSC1

N[C@@H]([C@@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1

CO[C@@H]1CCC[C@@H](C1)[C@H](N)C(=O)N1CCCC1

N[C@@H]([C@H]1CC[C@H](C1)NC(=O)Nc1cccc2ccccc12)C(=O)N1CCCC1

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1