Compound Name

SMILES String

Brc1ccc(cc1)C(=O)CN1C2=NCCN2c2ccccc12 |t:12|

CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN(C)C)c12

COC(=O)c1c(C(=O)OC)c2cc(C)ccc2n1CCCN

CN(C)CC(O)COc1ccc(cc1)-c1ccc(cc1)C#N

Cc1nc(Nc2ccncc2)c2oc3ccccc3c2n1

COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1

COc1ccccc1NC1=NC(N=C(N)N1)c1ccc(Cl)cc1 |t:10,13|

CCOc1cc(ccc1N)-c1ccc(N)c(OCC)c1

NCCCC(=O)N1c2ccccc2Sc2ccccc12

COc1ccc(Nc2nc(N)nc(CN(C)C3CCCCC3)n2)cc1

CNCCCOc1ccc(cc1)C(C)(C)c1ccccc1

CC(C)COc1ccc(Cc2cnc(N)nc2N)cc1

[H]C12CCC([H])(C1)C(C2)C(C)NCc1ccc(cc1)N(C)C |TLB:9:7:6:3.2|

COc1ccc(cc1)C1N=C(N)N=C(N)N1c1ccc(C)cc1 |t:10,13|

COc1ccc(CCNC(C)CCc2ccc(OC)cc2)cc1

CC(C)C\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1

CCN(CC)CCN=C1NCCn2c1cc1cc(OC)ccc21 |w:7.6|

COc1cccc(Nc2nc(N)nc(n2)-c2oc3ccccc3c2C)c1

Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12

CC[n+]1c(CC=Nc2ccccc2)oc2ccccc12 |w:6.6|

CCc1ccc2nc3nc(C)cc(C)c3c(N)c2c1

Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N)cc1 |w:13.14|

C[n+]1c2SCC(=Nn2c2ccccc12)c1ccc(Cl)cc1 |c:5|

COc1ccc(\C=C\c2cc(o[n+]2C)-c2ccc(C)cc2)cc1

Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 |w:6.6|

Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|

Cc1ccc(cc1)C(=O)NNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21

CN(C)c1ccc(\C=C2\C(=O)ON=C2C)cc1 |c:12|