Compound Name

SMILES String

Clc1cccc(Nc2ccnc3ccccc23)c1

CCOc1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1

COc1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1

Nc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1

Nc1ccc(F)cc1C(=O)Nc1cccc(Cl)c1

Oc1ccccc1C(=O)Nc1cccc(Cl)c1

CC(C)c1cccc(NC(=O)c2ccccc2N)c1

Nc1ccccc1C(=O)Nc1cccc(F)c1

Nc1ccccc1C(=O)Nc1cccc(Cl)c1

Clc1cccc(Nc2ncnc3ccccc23)c1

Clc1cccc(Nc2cccc3ccccc23)c1

Clc1cccc(Nc2nccc3occc23)c1

Clc1cccc(Nc2ncnc3ccsc23)c1

Clc1cccc(Nc2ncnc3sccc23)c1

Clc1cccc(NC2CCc3ccccc23)c1

Clc1cccc(Nc2n[nH]c3ccccc23)c1

Fc1cccc(Nc2n[nH]c3ccccc23)c1

Fc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1

Clc1cccc(Nc2n[nH]c3ccc(Cl)cc23)c1

Clc1cccc(Nc2n[nH]c3ccc(Br)cc23)c1

Cc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1

FC(F)(F)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1

COc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1

FC(F)(F)Oc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1

Nc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1

Nc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1

COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(C)=O)c1=O

COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(C)=O)c1=O

COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCC(N)=O)c1=O

COc1ccc(cc1)-c1nc2ccc(NCc3cccc(c3)C(F)(F)F)nc2n(CCC(N)=O)c1=O

CC(=O)NCCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ccc2nc(-c2cccnc2)c1=O

COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O

COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2n(CCNC(C)=O)c1=O

COc1ccc(cc1)-c1nc2ccc(NCc3ccc(Cl)c(c3)C(F)(F)F)cc2n(CCNC(C)=O)c1=O

Clc1ccc(CNC(=O)c2cc(NC(=O)OCc3ccccc3)ccc2Oc2cccnc2)cc1Cl

OCC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1

Cc1nc2ccc(NCc3cccc(c3)C(F)(F)F)cc2n(CCNC(=O)CO)c1=O

NC(=O)c1cnc(s1)N1CCN(CC1)C(=O)c1ccccc1C(F)(F)F

Cc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F

CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1F

OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl

OC(=O)Cn1nnc(n1)-c1cc(OCCCOc2cc(F)ccc2Br)no1

COc1ccc(OC)c(c1)N1CCN(C(C)C1=O)C(=O)c1ccc(Cl)cc1

Cn1c2ccccc2n(Cc2cc(O)c(Cl)cc2Cl)c1=O

C[C@H]1[C@@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r|

C[C@H]1[C@@H](OC(=O)N1c1cc(Cl)cc(c1)C#N)c1ccc(F)cc1 |r|

C[C@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r|

Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(c1)C#N

Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(Cl)c1

Fc1ccc(cc1)C1CN(C(=O)O1)c1cccc(F)c1

COc1cccc(c1)N1CC(OC1=O)c1ccc(F)cc1

COc1ccc(OC)c(c1)N1CC(OC1=O)c1ccc(F)cc1

Fc1ccc(cc1)C1CN(Cc2ccc(Cl)cc2Cl)C(=O)O1

CCn1cc(C(=O)N(C)C(C)c2ccc(F)cc2)c2ccccc12

COc1ccc(CN(C)C(=O)c2ccc3OCOc3c2)c(OC)c1

C[C@H]1[C@@H](OC(=O)N1c1cc(F)cc(c1)C#N)c1ccc(F)cc1 |r|

C[C@@H]1[C@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r|

C[C@@H]1[C@@H](OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1 |r|

CC1(C)C(OC(=O)N1c1cccc(c1)C#N)c1ccc(F)cc1

Fc1ccc(cc1)[C@H]1CN(C(=O)O1)c1cccc(c1)C#N |r|

Fc1ccc(cc1)C1CN(C(=O)O1)c1ccccc1

Oc1cc(CN2CC(OC2=O)c2ccccc2)c(Cl)cc1Cl

Fc1ccc(cc1)[C@@H]1CN(C(=O)O1)c1cccc(c1)C#N |r|

FC(F)(F)c1ccccc1OC1CCN(CC1)c1nnc(s1)-c1nnn[nH]1

Fc1ccc(Br)c(OC2CCN(CC2)c2nnc(s2)-c2nnn[nH]2)c1

OC(=O)Cn1nnc(n1)-c1nnc(s1)N1CCC(CC1)Oc1cc(F)ccc1Br

Cc1nnc(s1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F

OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br

Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1

Clc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccncc1

CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1

CN(C(F)=O)c1ccn2c(c1)nc(c(-c1cnn(CC(F)(F)C(F)(F)F)c1)c2=O)C(F)(F)F

FC(F)(F)CCn1cc(cn1)-c1c(nc2ccc(Cl)cn2c1=O)C(F)(F)F

Cc1ccc2nc(c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(=O)n2c1)C(F)(F)F

Fc1ccc2nc(c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(=O)n2c1)C(F)(F)F

Fc1ccc2nc(c(-c3cnn(CCC(F)(F)F)c3)c(=O)n2c1)C(F)(F)F

Cc1cc2nc(c(-c3cnn(CC(F)(F)C(F)(F)F)c3)c(=O)n2cc1Cl)C(F)(F)F

C[C@@H]1[C@H](OC(=O)N1c1cc(cc(c1)C#N)C#N)c1ccc(F)cc1 |r|