Compound Name

SMILES String

Brc1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1

Brc1ccc(cc1)-c1c[nH]c2cc(Br)ccc12

Brc1ccc2[nH]c(NC(=O)c3cc4ccc(Br)cc4[nH]3)nc2c1

Brc1ccc2[nH]c(cc2c1)C(=O)Nc1nc2cc(Br)ccc2[nH]1

Brc1ccc2[nH]c(cc2c1)C(=O)Nc1nc2cc(Br)ccc2s1

Brc1ccc2[nH]c(cc2c1)C(=O)Nc1nc2ccc(Br)cc2s1

Brc1ccc2[nH]cc(\C=C\C(=O)c3cc4ccccc4[nH]3)c2c1

Brc1ccc2c(c[nH]c2c1)-c1cnc([nH]1)C(=O)c1c[nH]c2ccccc12

Brc1ccc2c(c[nH]c2c1)[C@@H]1CNC(=O)[C@@H](N1)c1c[nH]c2cc(Br)ccc12 |r|

Brc1ccc2cc([nH]c2c1)C(=O)\C=C\c1cc2ccccc2[nH]1

Brc1ccc2nc(NC(=O)c3cc4ccccc4[nH]3)sc2c1

Brc1ccc2sc(NC(=O)c3cc4ccccc4[nH]3)nc2c1

C(Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12

CC(=NNC(=O)c1cc(Br)cc(Br)c1O)c1cc2ccccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)c(F)cc2n1C |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)ccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2c(F)c(F)ccc2n1C |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2n1C |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Cl)ccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Cl)ccc2n1C |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)c(F)cc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)c(F)cc2n1C |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2n1C |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(I)ccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(O)ccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2n1C |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2s1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2n1C |w:2.2|

CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2s1 |w:2.2|

CC(=NNC(=O)c1cc(I)ccc1O)c1cc2ccccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc(I)ccc1O)c1cc2ccccc2n1C |w:2.2|

CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2n1C |w:2.2|

CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C |w:2.2|

CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1ccc(Br)cc1O)c1cc2ccccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1cccc(Br)c1)c1cc2ccccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1ccccc1O)c1cc2ccccc2[nH]1 |w:2.2|

CC(=NNC(=O)c1ccccc1OCC#C)c1cc2cc(Br)ccc2[nH]1 |w:2.2|

CC(C)[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|

CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|

CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2[nH]1 |w:3.3|

CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Br)ccc2n1C |w:3.3|

CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2[nH]1 |w:3.3|

CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C |w:3.3|

CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2[nH]1 |w:3.3|

CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2c(F)c(F)c(F)cc2n1C |w:3.3|

CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2[nH]1 |w:3.3|

CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2n1C |w:3.3|

CCCC(C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|

CCN(C(C)=O)c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1

CCOCOc1ccccc1C(=O)NN=C(C)c1cc2cc(Br)ccc2[nH]1 |w:14.14|

CCOc1ccc(Br)cc1C(=O)NN=C(C)c1cc2ccccc2[nH]1 |w:13.13|

COc1cc(O)c(cc1Br)C(=O)NN=C(C)c1cc2ccccc2[nH]1 |w:13.13|

COc1cc(O)c(cc1Br)C(=O)NN=C(C)c1cc2ccccc2n1C |w:13.13|

COc1ccc(Br)cc1C(=O)NN=C(C)c1cc2ccccc2[nH]1 |w:12.12|

COc1ccc(Br)cc1C(=O)NN=Cc1cc2ccccc2[nH]1 |w:13.14|

COc1ccc(Br)cc1C(=O)Nc1nc2ccc(Br)cc2s1

COc1ccc(Br)cc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1

COc1ccc(cc1)[C@@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|

COc1ccc(cc1)[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O |r|

COc1ccc2[nH]c(cc2c1)C(C)=NNC(=O)c1cc(Br)ccc1O |w:13.15|

COc1ccc2[nH]cc(CCc3c[nH]c4ccccc34)c2c1

COc1ccc2n(C)c(cc2c1)C(C)=NNC(=O)c1cc(Br)ccc1O |w:14.16|

C[C@@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1 |r|

C[C@H](NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2ccccc2c1 |r|

Cc1ccc2[nH]cc(CCc3c[nH]c4ccccc34)c2c1

Cc1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1

Clc1ccc2[nH]cc(CCc3c[nH]c4ccccc34)c2c1

Clc1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1

Cn1c(C=NNC(=O)c2cc(Br)ccc2O)cc2ccccc12 |w:3.2|

Cn1c(cc2ccccc12)C(=NNC(=O)c1cc(Br)ccc1O)c1ccccc1 |w:11.13|

FC(F)(F)c1ccc2[nH]cc(CCc3c[nH]c4ccccc34)c2c1

Fc1cc(Cl)cc2c(CCc3c[nH]c4ccccc34)c[nH]c12

Fc1ccc2[nH]cc(CCc3c[nH]c4ccccc34)c2c1

N#Cc1ccc2[nH]cc(CCc3c[nH]c4ccccc34)c2c1

O=C(C(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

OC(=O)c1ccc(SC2=NS(=O)(=O)c3ccccc23)cc1 |t:8|

OC[C@H]1O[C@H](CNC2CCC2)[C@@H](O)[C@@H]1O |r|

OC[C@H]1O[C@H](CNC2CCCC2)[C@@H](O)[C@@H]1O |r|

OC[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O |r|

OC[C@H]1O[C@H](CNC2CCCc3ccccc23)[C@@H](O)[C@@H]1O |r|

OC[C@H]1O[C@H](CN[C@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](O)[C@@H]1O |r|

O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)NC1CCCCCC1 |r|

O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)Nc1cccc(c1)[N+]([O-])=O |r|

Oc1c(Br)cc(Br)cc1C(=O)Nc1nc2ccc(Br)cc2s1

Oc1c(Br)cccc1C(=O)Nc1nc2ccc(Br)cc2s1

Oc1c(Br)cccc1NC(=O)c1cc2ccc(Br)cc2[nH]1

Oc1c(Br)cccc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1

Oc1cc(Br)ccc1C(=O)Nc1nc2ccc(Br)cc2s1

Oc1cc(Br)ccc1C(=O)\C=C\c1cc2ccc(Br)cc2[nH]1

Oc1cc(Br)ccc1C(=O)\C=C\c1cc2ccccc2[nH]1

Oc1cc(Br)ccc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1

Oc1ccc(Br)cc1C(=O)NN=C(c1cc2ccccc2[nH]1)c1ccccc1 |w:11.11|

Oc1ccc(Br)cc1C(=O)NN=Cc1cc2ccccc2[nH]1 |w:12.13|

Oc1ccc(Br)cc1C(=O)Nc1nc2cc(Br)ccc2[nH]1

Oc1ccc(Br)cc1C(=O)Nc1nc2ccc(Br)cc2s1

Oc1ccc(Br)cc1NC(=O)c1cc2ccc(Br)cc2[nH]1

Oc1ccc(Br)cc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1

Oc1ccc(Br)cc1\C=C\C(=O)c1cc2ccccc2[nH]1

Oc1ccccc1C(=O)\C=C\c1cc2ccc(Br)cc2[nH]1

[O-][N+](=O)c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1

[O-][N+](=O)c1cccc2[nH]cc(CCc3c[nH]c4ccccc34)c12