Compound Name

SMILES String

CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl

CCCCCCCCCCCC(=O)OCC(CCP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC

CCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC

COc1c([C@H]2[C@H](C(=O)Nc3ccc[n+]([O-])c3)C[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F

COc1c([C@H]2[C@H](C(=O)Nc3cccc(S(N)(=O)=O)c3)C[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F

COc1c([C@H]2[C@H](C(=O)Nc3ccc(F)c(C(=N)CO)c3)C[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F

[2H]C([2H])([2H])Oc1c([C@H]2[C@H](C(=O)Nc3ccnc(C(N)=O)c3)N[C@@](C)(C(F)(F)F)[C@H]2C)ccc(F)c1F

COc1c(F)c(F)ccc1[C@@H]1[C@H](C)[C@@](C)(O[C@H]1C(=O)Nc1ccnc(c1)C(N)=O)C(F)(F)F

CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O

Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O

CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1

CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r|

CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45|

CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|

CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|

CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccnc1 |r|

C[C@@H]1CN(CCN1C(=O)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl)C

Brc1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1

Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2nc[nH]c12

Fc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1

Clc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1

Brc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1

O=C(Nc1ccccc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12

[O-][N+](=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1

CCNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1

CN(C)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1

CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1

CC(C)N(C(C)C)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1

O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)NC1CCCC1

O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)N1CCCCC1

O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)N1CCOCC1

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]ccc23)c1

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1

CCc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(c4)C(=O)NC(C)C)cc3)c12

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(Cl)c23)c1

CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccncc2)c1

O=C(Nc1ccc(cc1)-c1ccc(cc1)C#N)Nc1ccc(cc1)-c1ccnc2nc[nH]c12

Oc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1

COc1cccc(c1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1

O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1ccc(cc1)-c1cccc2ccccc12

NC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1

Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1 |r,t:13|

NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1

OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|

COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F |r|

CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O

CC(C)(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O

CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F |r|

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)C#N)C(F)(F)F |r|

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F |r|

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cccc(C)c1)S(C)(=O)=O)C(F)(F)F |r|

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)S(C)(=O)=O)C(F)(F)F |r|

CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F

CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O

CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F

CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1

CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1 |r|

CC(C)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1 |r|

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N)C(F)(F)F |r|

CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)C#N

CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)C#N

Fc1cccc(c1)-c1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)C#N

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)C#N)C(F)(F)F |r|

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r|

CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)S(C)(=O)=O)C(F)(F)F |r|

CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1

CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1 |r|

C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N)C(F)(F)F |r|

Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1OCC1CC1)C#N

FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F

CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl

CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl

Cc1c(O)c(O)cc[n+]1[C@@H](CO)Cc1ccccc1

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

CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O

CCC(C)(C)C(O)=O

Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1

CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r|

Cc1ccc(Oc2ccc(cc2)-c2nnn(CCN)n2)cc1

NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1

NCCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1

CC(=O)NCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1

C[C@H](CN)n1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|

C[C@@H](N)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|

OC(=O)CCCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1

OC(=O)CCn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1

N[C@@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|

N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ccc(Cl)cc2)cc1 |r|

NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O

Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1

Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12