Compound Name

SMILES String

Cn1c(NCc2ccc(F)cc2)ncc1-c1ccc(F)cc1

O=C(Cc1ccccc1)Nc1ccccc1Sc1ccccc1

NC(=NC1CCCCC1)c1ccc(Cl)cc1 |w:2.2|

COc1ccc2c(C)cc(nc2c1)N1CCCCCC1

Cc1cc(nc2ccccc12)N1CCCCC1

CC1CCN(CC1)c1cc(C)c2ccccc2n1

Cc1cc(nc2ccccc12)N1CCOCC1

Cc1cc(nc2ccccc12)N1CCCC1

C[C@H]1CCCN1c1cc(C)c2ccccc2n1

Cc1cc(nc2ccccc12)N1CCN(CC1)c1ccncc1

Cc1ccc2nc(cc(C)c2c1)N1CCCCC1

Cc1ccc2nc(cc(C)c2c1)N1CCCC1

CCc1ccc2nc(cc(C)c2c1)N1CCCC1

Cc1cc(nc2ccc(F)cc12)N1CCCCC1

CC1CC(C)CN(C1)c1cc(C)c2ccccc2n1

CCN(CC)c1cc(C)c2ccccc2n1

COc1ccccc1N1CCN(CC1)c1cc(C)c2ccccc2n1

Cc1cc(nc2ccccc12)N1CCN(CC1)c1ccccc1C#N

Cc1cc(nc2ccccc12)N1CCOc2ccccc12

Cc1cc(nc2ccccc12)N1CCCC(O)C1

CCc1ccc2nc(cc(C)c2c1)N1CCCCC1

Cc1cc(nc2ccc(F)cc12)N1CCCC1

Cc1cccc2c(C)cc(nc12)N1CCCC1

Cc1ccc2nc(cc(C)c2c1)N1CCCCCC1

CCc1ccc2nc(cc(C)c2c1)N1CCCCCC1

Cc1cc(nc2ccccc12)N1CCCCCC1

Cc1cc(nc2ccc(F)cc12)N1CCCCCC1

Cc1nn2c(O)cc(nc2c1-c1ccc(F)cc1)C1CCN(CC1)C(=O)c1ccc(Br)nc1

CCC(=O)N1CCC(CC1)c1cc(O)n2nc(C)c(-c3ccc(F)cc3)c2n1

OC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r|

CCOC(=O)N1CCC(C)(CC1)c1cc(O)n2nc(C)c(-c3ccc(cc3)C(F)(F)F)c2n1

CN1c2c(n(c(n2)Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO

C1CCN(C1)c1nc2ccccc2[nH]1

c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4

c1ccc2c(c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC[C@H](C4)N

CCOC(=O)N1CCC(CC1)c1cc(O)n2nc(C)c(-c3ccc(F)cc3)c2n1

Cc1nn2c(O)cc(nc2c1-c1ccc(F)cc1)C1CCN(CC1)C(=O)OC(C)(C)C

CCCCNc1nc2ccccc2[nH]1

CC1CCN(CC1)c1nc2cc(Cl)ccc2[nH]1

C1C2CC3CC1CC(C2)(C3)Nc1nc2ccccc2[nH]1 |TLB:4:3:0.5.6:8,THB:4:5:8:2.3.9,9:3:0:6.7.8,9:7:0:2.4.3|

CC1CCCCN1c1nc2ccccc2[nH]1

C1CCN(CC1)c1nc2ccccc2[nH]1

CC1CCN(CC1)c1nc2ccccc2[nH]1

CN1c2c(n(c(n2)Oc3cccc(c3)Cl)Cc4ccc(cc4)Cl)C(=O)N(C1=O)CCCO

c1ccc(c(c1)CN2CCN(CC2=O)C3=C(C(=O)NN=C3)Cl)C(F)(F)F

C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1

CCc1ccc2n(Cc3ccccc3)c(NCc3ccco3)nc2c1

Fc1ccc(Oc2ncnc3CN(CCc23)C2=C(Cl)C(=O)NC2=O)c(c1)C(F)(F)F |c:18|

NCCN(Cc1ccc2ccccc2c1)c1nc(C(=O)Nc2ccc(O)cc2)cs1

COC(c1ccc(F)cc1Cl)c1cnc2n1CCN(c1cn[nH]c(=O)c1Cl)C2

O=c1[nH]ncc(N2CCc3c(ncnc3Oc3ccc(F)cc3C(F)(F)F)C2)c1Cl