Compound Name

SMILES String

Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(F)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(cc(NCc4cnc[nH]4)cc23)C(F)(F)F)C#N)cc1Cl

Oc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

COc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

CS(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

CS(=O)(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

CN(C)C(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

CC(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

OCC(O)Cc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

OCC(O)COc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCCc4cnc[nH]4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Br)cc(NC(=O)Cc4cnc[nH]4)cc23)C#N)cc1Cl

Cn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)cn1

Cn1nccc1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4ccnn4-c4ccccc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc5ccccn45)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cccnc4)cc23)C#N)cc1Cl

OC(c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1)(C(F)(F)F)C(F)(F)F

CC(C)N1CCC(O)(CC1)c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1

Cc1cccc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)n1

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cccc(n4)N4CCOCC4)cc23)C#N)cc1Cl

[O-][n+]1ccccc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

OCC(O)CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4nnn[nH]4)cc23)C#N)cc1Cl

OC(=O)CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCC(=O)Nc4cccnc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl

CN(C)CCCn1cc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

CC(C)c1nc[nH]c1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

CC(C)c1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

CCCc1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

CCc1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

COC(=O)c1nc[nH]c1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

CN(C)CCCc1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Cn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1

CCc1nc(C)c(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH]1

Cc1nc(C)c(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH]1

Cn1cncc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnc([nH]4)-c4ccccc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(CCN5CCOCC5)cn4)cc23)C#N)cc1Cl

CS(=O)(=O)CCn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1

OC(=O)c1cc2c(Nc3ccc(cc3)-c3ccccc3)cncc2s1

NC(=O)c1cc2c(Nc3ccc(cc3)-c3ccccc3)cncc2s1

N(c1ccc(cc1)-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1

OC(=O)c1cc2c(cncc2s1)-c1cccc(c1)-c1ccccc1

NC(=O)c1cc2c(cncc2s1)-c1cccc(c1)-c1ccccc1

c1c(sc2cncc(-c3cccc(c3)-c3ccccc3)c12)-c1nnn[nH]1

OC(=O)c1cc2c(Oc3ccc(cc3)-c3ccccc3)cncc2s1

NC(=O)c1cc2c(Oc3ccc(cc3)-c3ccccc3)cncc2s1

O(c1ccc(cc1)-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1

Nc1ncc(-c2cccc(c2)-c2ccccc2)c2cc(sc12)C(O)=O

NC(=O)c1cc2c(cnc(N)c2s1)-c1cccc(c1)-c1ccccc1

OC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1

Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl

CC(C)(C)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)-c4ccccc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5ccccc5)nn4)cc23)C#N)cc1Cl

OC(=O)Cn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(CCC5CCCN5)nn4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5cccnc5)nn4)cc23)C#N)cc1Cl

CC(C)(C)n1cc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(nn4)-c4ccccc4)cc23)C#N)cc1Cl

OC(=O)Cn1cc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(CCC5CCCN5)nn4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(Cc5cccnc5)nn4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5ccncc5)nn4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5ccccn5)nn4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)-c4cccnc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)-c4ccncc4)cc23)C#N)cc1Cl

NCCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

NCCCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

CN(C)CCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(CCN5CCCCC5)nn4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(CCN5CCCCCC5)nn4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(CCN5CCOCC5)nn4)cc23)C#N)cc1Cl

CN1CCCC1CCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

CCN1CCC(CCn2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)C4CCNCC4)cc23)C#N)cc1Cl

CN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

CCCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

CC(C)N1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1

Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)C4CCN(CC4)C4CCC4)cc23)C#N)cc1Cl

Clc1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

Fc1ccc(Nc2c(cnc3cnc(NCCCN4CCCC4)cc23)C#N)cc1Cl

C[C@H](Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N)c1ccccc1 |r|

CN1CCN(CCCNc2cc3c(Nc4ccc(F)c(Cl)c4)c(cnc3cn2)C#N)CC1

C[C@@H](Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N)c1ccccc1 |r|

Cc1c(Br)cccc1Nc1c(cnc2cnc(NCCN3CCOCC3)cc12)C#N

Clc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl

CN(Cc1ccccc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N

Fc1cc(Cl)ccc1Nc1c(cnc2cnc(NCCN3CCOCC3)cc12)C#N

Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl

Fc1ccc(CNc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl

FC(F)(F)c1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1

N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Oc2ccccc2)cc1

N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1

Clc1cc(Cl)cc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)c1

Fc1ccc(Nc2c(cnc3cnc(NC(CN4CCOCC4)c4ccccc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3cnc(NCCCN4CCOCC4)cc23)C#N)cc1Cl

CC[C@H](Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N)c1ccccc1

O=C(c1ccccc1)c1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1

Clc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1

O=S(=O)(c1ccccc1)c1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1

N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Sc2ccccc2)cc1

Fc1ccc(Nc2c(cnc3cnc(NCc4ccccc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3cnc(NC4CCCC4)cc23)C#N)cc1Cl

CC[C@@H](Nc1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N)c1ccccc1

CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N

CN1CCN(CC1)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1

O=C(NCCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1

O=C(NC1CCCCC1)c1cc2c(n[nH]c2s1)-c1ccccc1

Cc1n[nH]c2sc(cc12)C(=O)NC1CCCCC1

CCCCN(C)C(=O)c1cc2c(C)n[nH]c2s1

COc1ccc(CNC(=O)c2cc3c(n[nH]c3s2)-c2ccccc2)cc1

CCCCN(C)C(=O)c1cc2c(n[nH]c2s1)-c1ccccc1

O=C(NCc1ccccc1)c1cc2c(n[nH]c2s1)-c1ccccc1

Cc1n[nH]c2sc(cc12)C(=O)NCc1ccccc1

Cc1n[nH]c2sc(cc12)C(N)=O

CCCCNC(=O)c1cc2c(C)n[nH]c2s1

Cc1ncn(C)c1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Fc1ccc(Nc2c(cnc3ccc(NCc4ccccc4)cc23)C#N)cc1Cl

CCc1ncc(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH]1

[O-][n+]1ccccc1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

CC(C)Oc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NCc1cnc[nH]1

Fc1ccc(Nc2c(cnc3ccc(NS(=O)(=O)c4ccccc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3ccc(NC(=O)c4ccccc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3ccc(NCc4nccs4)cc23)C#N)cc1Cl

Cc1c(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)ncn1C

Fc1ccc(Nc2c(cnc3ccc(Nc4ccccc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3ccc(NCC4CCCN4)cc23)C#N)cc1Cl

CN(c1ccc(F)c(Cl)c1)c1c(cnc2ccc(NCCN3CCOCC3)cc12)C#N

Fc1ccc(Nc2c(cnc3ccc(NCCN4CCOCC4)cc23)C#N)cc1Cl

Cc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NCc1cnc[nH]1

Fc1ccc(Nc2c(cnc3ccc(NCC4CCCO4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(NCc4cnc[nH]4)cc23)C#N)cc1Cl

Fc1ccc(Sc2c(cnc3ccc(NCCN4CCOCC4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(C#N)c(=O)[nH]c3ccc(NCc4cnc[nH]4)cc23)cc1Cl

Cc1nc[nH]c1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Fc1ccc(Nc2c(cnc3ccc(NCc4ccn[nH]4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3ccc(NCc4ccco4)cc23)C#N)cc1Cl

NS(=O)(=O)c1ccc(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)cc1

Fc1ccc(Oc2c(cnc3ccc(NCCN4CCOCC4)cc23)C#N)cc1Cl

CCN1CCC[C@H]1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Fc1ccc(Nc2c(cnc3ccc(NCc4cccc(c4)C#N)cc23)C#N)cc1Cl

Cc1c(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)ncn1CCN1CCOCC1

CC(Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1)c1ccccn1

Fc1ccc(Nc2c(cnc3cnc(NCc4ccccn4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3ccc(CCc4ccccc4)cc23)C#N)cc1Cl

Fc1ccc(Nc2c(cnc3ccc(NCc4ccccn4)cc23)C#N)cc1Cl

Cc1ncn(CCN2CCOCC2)c1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Cc1nc2ccc(NCc3cnc[nH]3)cc2c(Nc2ccc(F)c(Cl)c2)c1C#N

CCN1CCC[C@@H]1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1

Nc1cccc(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1

Fc1ccc(Nc2c(cnc3cc(OC(F)(F)F)c(NCc4cnc[nH]4)cc23)C#N)cc1Cl

COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|

COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|

O(c1cccc(c1)-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1

Cc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

Brc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

Clc1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

CC(C)(C)c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

COc1ccccc1-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

COc1cccc(c1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

COc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

Clc1ccccc1-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

Clc1cccc(c1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

Clc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

N#Cc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

Fc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

Nc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

FC(F)(F)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

CN(C)C(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

OCc1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

NC(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

Nc1cc2c(Oc3ccc(I)cc3)cncc2s1

CC(=O)Nc1cc2c(Oc3ccc(I)cc3)cncc2s1

Ic1ccc(Oc2cncc3sc(cc23)-c2nc(=O)o[nH]2)cc1

Ic1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1

ONC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1

O(c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1

O(c1ccccc1-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1

CCN1CCN(CC\C=C\c2ccc3c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c(cnc3c2)C#N)CC1

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|

O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|

Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|

Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|

CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1

COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12

CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1cccs1

c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2ncccc2c1

Clc1cc2ncc3ncn(-c4ccc(CC#N)cc4)c3c2cc1-c1ccsc1

Clc1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1

C1CCN(CC1)c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1

CC(CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1

CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1

C[C@H](CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1 |r|

CC(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1

Cc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1

c1nc2cnc3cnc(cc3c2n1-c1ccc2ncccc2c1)-c1ccccc1

C(CN1CCOCC1)Nc1nc2ccc(cc2s1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1

N#CCc1ccc(cc1)-n1cnc2cnc3cnc(cc3c12)-c1ccsc1

OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r|

C[C@@H](CN1CCOCC1)Nc1ccc2cc(ccc2n1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1 |r|

N#CCc1ccc(cc1)-n1cnc2cnc3ccc(cc3c12)-c1ccsc1

c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1cccnc1

c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1

c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1cn[nH]c1

C1CCC(=CC1)c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1 |c:3|

c1cc(cs1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1

c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1cnsc1

c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1

Cc1cccc(c1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1

Cc1ccc(cc1)-c1cc2c3n(cnc3cnc2cn1)-c1ccc2nc[nH]c2c1

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|

CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1

CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1

Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1

COc1cc(Nc2c(cnc3cc(\C=C\CCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccc(CN6CCCCC6)cc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5cc(C)c(C)cc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccc(C)cc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccc(Br)cc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5cc(Cl)c(C)cc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccc(cc5[nH]4)C(C)(C)C)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccc(COC(C)C)cc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccc(cc5[nH]4)C#N)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5cc(C#N)c(F)cc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccc(F)c(F)c5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5cc(F)c(F)cc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccc(Cl)c(Cl)c5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nnn[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5CCCCc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccncc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(C)c(CC(C)C)[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(c(C)[nH]4)-c4ccccc4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(c[nH]4)-c4cccc(F)c4)c3c2)c1C

Cc1c(CNCCO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1

CC(C)CNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C

CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1Cl

CNc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C

Cc1c(cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)C(N)=O

Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C

Cc1c(O)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1

Cc1c(CN2CCOCC2)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1

OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)C#N

OC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)cc1

NC(=O)c1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1

Cc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1

COc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1

OC(=O)COc1ncnc2cc(sc12)-c1ccc2[nH]ccc2c1

Cc1cccc(c1)-c1cc2ncnc(SCC(O)=O)c2s1

OC(=O)CSc1ncnc2cc(sc12)-c1ccc(Br)cc1

CCOC(=O)CSc1ncnc2cc(I)sc12

OC(=O)COc1ncnc2cc(sc12)-c1ccc2NC(=O)CCc2c1

NC(=O)c1cccc(c1)-c1cc2ncnc(SCC(O)=O)c2s1

OC(=O)CSc1ncnc2cc(sc12)-c1ccc(F)cc1

CC(=O)Nc1ccc(cc1)-c1cc2ncnc(OCC(O)=O)c2s1

OC(=O)CSc1ncnc2cc(I)sc12

COc1ccc(cn1)-c1cc2ncnc(SCC(O)=O)c2s1

OC(=O)COc1ncnc2cc(sc12)-c1ccc(Cl)cc1

OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)-c1ccccc1

CNC(=O)c1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1

CCOC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)cc1

CC(=O)Nc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1

OC(=O)COc1ncnc2cc(sc12)-c1ccc2[nH]ncc2c1

OC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)s1

CC1CCN(CC1)c1cc2ncnc(SCC(O)=O)c2s1

OC(=O)CNc1ncnc2cc(sc12)-c1ccc(Cl)cc1

CN(CC(O)=O)c1ncnc2cc(sc12)-c1ccc(Cl)cc1

CSc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1

CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl

Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12

CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12

c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O

ClC1=C(N2C(=O)CCC2=O)C(=O)c2ccccc2C1=O |c:1|

CN(c1cccnc1)c1cc2c(Nc3ccc(F)c(Cl)c3)c(cnc2cn1)C#N

Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br

Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br

Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O

Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1

COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O

COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|

Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O

COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O

COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O

Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12

COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1

COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C

Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12

[H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|

COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1

COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|

COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|

COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1

[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

COc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C

CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1

O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1