Compound Name

SMILES String

Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12

Brc1ccc(Nc2nc(NC3CCCC3)nc(n2)C#N)cc1

Brc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1

Brc1ccc(cc1)-c1csc(N\N=C\c2ccccn2)n1

Brc1ccc(cc1)-c1noc(n1)C(=O)NN=Cc1ccc2OCOc2c1 |w:16.18|

Brc1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1

Brc1ccc2CCC=C(C(=O)C=C)c2c1 |t:7|

Brc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1

Brc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1

Brc1cccc(c1)-c1csc(NC(=O)Oc2ccccc2)n1

Brc1cccc(c1)C1=NN(CC1)C(=S)NCCN1CCOCC1 |t:8|

Brc1cccc(c1)C1=NN(CC1)C(=S)NCc1ccco1 |t:8|

Brc1cccc(c1)C1=NN(CC1)C(=S)Nc1ccccc1 |t:8|

Brc1ccccc1CCC(=O)NCCc1nc2ccccc2[nH]1

Brc1ccccc1COCC(=O)NCCc1nc2ccccc2[nH]1

Brc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1

Brc1ccnc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|

Brc1cncc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|

Brc1csc(\C=N\NC(=O)c2cnc3ccccc3c2)c1

C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccccc1

C(Nc1nc(Nc2nccs2)nc2ccccc12)c1ccccc1

C(Nc1ncnc2sc(cc12)-c1ccccc1)C1COc2ccccc2O1

C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

CC(=C)CSc1cc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N

CC(=NNC(=S)N1CCCCC1)c1cccc(Br)c1 |w:2.2|

CC(=NNC(N)=O)c1ccc(Cl)c(Cl)c1 |w:2.2|

CC(=NNC(N)=O)c1cccc(Br)c1 |w:2.2|

CC(=NNC(N)=O)c1cccc(Cl)c1 |w:2.2|

CC(=NNC(N)=O)c1cccc(c1)C(F)(F)F |w:2.2|

CC(=NNC(N)=S)C1=CCCc2ccccc12 |w:2.2,t:7|

CC(=NNC(N)=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:2.2|

CC(=NNC(N)=S)c1ccc(Br)s1 |w:2.2|

CC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:2.2|

CC(=NNC(N)=S)c1ccc(Cl)s1 |w:2.2|

CC(=NNC(N)=S)c1ccc(Nc2ccccc2)cc1 |w:2.2|

CC(=NNC(N)=S)c1ccc(Oc2ccccc2)cc1 |w:2.2|

CC(=NNC(N)=S)c1ccc(cc1)-c1ccccc1 |w:2.2|

CC(=NNC(N)=S)c1ccc(cc1)N1CCOCC1 |w:2.2|

CC(=NNC(N)=S)c1cccc(Br)c1 |w:2.2|

CC(=NNC(N)=S)c1cccc(Nc2ccccc2)c1 |w:2.2|

CC(=NNC(N)=S)c1cccc(Oc2ccccc2)c1 |w:2.2|

CC(=NNC(N)=S)c1cccc(c1)-c1ccccc1 |w:2.2|

CC(=NNC(N)=S)c1cccc(c1)C(C)=NNC(N)=S |w:2.2,15.16|

CC(=NNC(N)=S)c1cccc(c1)C(F)(F)F |w:2.2|

CC(=NNC(N)=S)c1ccccc1Br |w:2.2|

CC(=NNC(N)=S)c1ccccc1Cl |w:2.2|

CC(=NNC(N)=S)c1ccccn1 |w:2.2|

CC(=O)C1=CCCc2ccccc12 |t:3|

CC(=O)NCCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CC(=O)Oc1ccc(cc1)C1Oc2cc(OC(C)=O)cc(O)c2C(=O)C1c1c(OC(C)=O)cc(O)c2c1oc(cc2=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1

CC(=O)n1c(CCNC(=O)COc2ccc(Br)cc2)nc2ccccc12

CC(C)(C)C(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5|

CC(C)(C)CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CC(C)(C)CC(C)(CC(C)(C)C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CC(C)(C)OC(=O)NCCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl

CC(C)(C)OC(=O)NCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|

CC(C)(C)SCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1

CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1

CC(C)(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)(C)c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1

CC(C)(C)c1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)N1CCOCC1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CC(F)(F)F)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccncc1)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](C#N)C1(CC1)c1ccccc1 |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@H](Cc1ccc(cc1F)C#N)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1cn[nH]c1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)(NC(=O)CN(Cc1ccccc1)C(=O)c1ccccc1)C#N

CC(C)(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C#N |r|

CC(C)C(=O)OC1Oc2ccccc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1 |r|

CC(C)C(NC(=O)c1ccco1)C(=O)NCC(N1CCCCC1)c1ccco1

CC(C)C1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:7.6,5.18|

CC(C)CC(NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1)C(=O)NC(=O)NN1CCOCC1 |w:17.17|

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1 |r|

CC(C)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CC(C)CN1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CC(C)CNc1nc(Nc2ccccc2)nc(n1)C#N

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N1[C@H]([C@@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|

CC(C)C[C@@H]1N[C@H](CCCCC[C@H](NC1=O)C=CS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 |r,w:17.18|

CC(C)C[C@@H]1N[C@H](CCCC[C@H](NC1=O)C=CS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 |r,w:16.17|

CC(C)C[C@H](NC(=O)C(C)(C)c1ccccc1)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](NC(=O)C(F)(F)c1ccccc1)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](NC(=O)C1(CC1)c1ccccc1)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](NC(=O)C1(CCC1)c1ccccc1)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C

CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)N(C)C#N |r|

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCC1CCCCC1)C(O)=O |r|

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCCc1ccccc1)C(=O)OCCc1ccccc1 |r|

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCc1ccccc1)C(=O)OCC1CCCCC1 |r|

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCc1ccccc1)C(=O)OCCc1ccccc1 |r|

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1C(C1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r|

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)\C=C\[N+]([O-])=O |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\[N+]([O-])=O |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ccccn1 |r|

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)C

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\[N+]([O-])=O |r|

CC(C)C[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C

CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSC(C)(C)C

CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1

CC(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C

CC(C)C[C@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|

CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)N(C)N(C)C#N |r|

CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NCC#N |r|

CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1

CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1 |r|

CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCC2[C@H]1C(=O)CN2C(=O)c1ccccc1

CC(C)C[C@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1OCC2[C@H]1C(=O)CN2C(=O)c1ccccc1

CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r|

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cncnc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)C[C@H](N[C@H](c1ccc(cc1)-c1cncnc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)C[C@H](N[C@H](c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|

CC(C)C[C@H](N[C@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)Cc1cc(no1)C(=O)Nc1cc(C)on1

CC(C)N1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CC(C)NC(=S)N1CCC(=N1)c1cccc(Br)c1 |c:9|

CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1

CC(C)Nc1nc(Nc2ccccc2)nc(n1)C#N

CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1

CC(C)OC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1CC=C

CC(C)OC1Oc2ccccc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1 |r|

CC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl

CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|

CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|

CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r|

CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N |r|

CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn(nn1)C(C)C(=O)COc1c(F)c(F)cc(F)c1F |r|

CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|

CC(C)[C@](C)(NCc1ccc2ncsc2c1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|

CC(C)[C@](C)(NCc1ccc2occc2c1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|

CC(C)[C@](C)(NCc1ccn2nccc2n1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|

CC(C)\N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1

CC(C)c1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:7.6|

CC(COc1ccccc1)=NN=C1SC(C(=S)N1c1ccccc1)c1ccccc1 |w:10.11,12.18|

CC(COc1ccccc1)=NN=C1SCC(=O)N1c1ccccc1 |w:10.11,12.18|

CC(COc1ccccc1)N=Nc1nc(O)c(s1)C(C)C |w:10.10|

CC(COc1ccccc1)N=Nc1nc(cs1)-c1ccccc1 |w:10.10|

CC(NC(=O)c1ccccc1Cl)C(=O)OC(C(=O)Nc1cc(ccc1Cl)C(F)(F)F)c1ccccc1

CC(NC(=O)c1nnc(o1)-c1ccccc1N)C12CC3CC(CC(C3)C1)C2 |TLB:1:17:20:24.23.22,THB:1:17:20.19.24:22,18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|

CC1(C)CCc2c(O)c(C(=O)CCc3ccc4OC5(C)CCCC(C)(C)C5Cc4c3)c(O)cc2O1

CC1(C)CCc2cc(CCC(=O)c3c(O)cc4OC(C)(C)CCc4c3O)ccc2O1

CC1C2CCC(C)(C2)C1NC(=O)c1nnc(o1)-c1ccccc1N |TLB:9:8:4.3:7,THB:0:1:4.3:7|

CC1CN(N=C1c1ccc(Cl)c(Cl)c1)C(N)=S |c:4|

CC1CN(N=C1c1cccc(Br)c1)C(N)=S |c:4|

CC1CN(N=C1c1cccc(Cl)c1)C(N)=S |c:4|

CC1CN(N=C1c1cccc(c1)C(F)(F)F)C(N)=S |c:4|

CC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:5.4,3.16|

CC1SC(N\N=C\CCCSc2ccccc2)=NC1=O |c:17|

CC1SC(N\N=C\CCSc2ccc(C)cc2)=NC1=O |c:17|

CCC(=NNC(=S)NC(C)C)c1cccc(Br)c1 |w:3.3|

CCC(=NNC(=S)NC)c1cccc(Br)c1 |w:3.3|

CCC(=NNC(=S)NCCN1CCNCC1)c1cccc(Br)c1 |w:3.3|

CCC(=NNC(=S)NCc1ccco1)c1cccc(Br)c1 |w:3.3|

CCC(=NNC(=S)Nc1ccc(cc1)C(F)(F)F)c1cccc(Br)c1 |w:3.3|

CCC(=NNC(=S)Nc1ccccc1)c1cccc(Br)c1 |w:3.3|

CCC(=NNC(N)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:3.3|

CCC(=NNC(N)=O)c1ccc(Cl)c(Cl)c1 |w:3.3|

CCC(=NNC(N)=O)c1cccc(Br)c1 |w:3.3|

CCC(=NNC(N)=O)c1cccc(Cl)c1 |w:3.3|

CCC(=NNC(N)=O)c1cccc(c1)C(F)(F)F |w:3.3|

CCC(=NNC(N)=S)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:3.3|

CCC(=NNC(N)=S)c1ccc(Br)cc1 |w:3.3|

CCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:3.3|

CCC(=NNC(N)=S)c1ccc(Cl)cc1 |w:3.3|

CCC(=NNC(N)=S)c1ccc(Cl)cc1Cl |w:3.3|

CCC(=NNC(N)=S)c1ccc(OC)cc1 |w:3.3|

CCC(=NNC(N)=S)c1ccc2cc(OC)ccc2c1 |w:3.3|

CCC(=NNC(N)=S)c1cccc(Br)c1 |w:3.3|

CCC(=NNC(N)=S)c1cccc(Cl)c1 |w:3.3|

CCC(=NNC(N)=S)c1cccc(F)c1 |w:3.3|

CCC(=NNC(N)=S)c1cccc(N)c1 |w:3.3|

CCC(=NNC(N)=S)c1cccc(O)c1 |w:3.3|

CCC(=NNC(N)=S)c1cccc(c1)C(F)(F)F |w:3.3|

CCC(=NNC(N)=S)c1cccc(c1)[N+]([O-])=O |w:3.3|

CCC(=NNC(N)=S)c1ccccc1 |w:3.3|

CCC(=O)OC1Oc2ccccc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1 |r|

CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r|

CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCC1 |r|

CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r|

CCC(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|

CCC(NC(=O)COC(=O)c1cccnc1N)c1ccc(Br)cc1

CCC(NNC(N)=S)c1cccc(Br)c1

CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccc(C)cc1 |w:6.5,4.17|

CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccc(OC)cc1 |w:6.5,4.17|

CCC1SC(=NN=C(C)COc2ccccc2)N(C1=O)c1ccccc1 |w:6.5,4.17|

CCCC(=O)Oc1ccc(cc1)C1Oc2cc(OC(=O)CCC)cc(O)c2C(=O)C1c1c(OC(=O)CCC)cc(O)c2c1oc(cc2=O)-c1ccc(OC(=O)CCC)c(OC(=O)CCC)c1

CCCC12CN(CC(C)(CN(C1)C(=O)c1ccc(OC)cc1)C2=O)C(=O)c1ccc(OC)cc1 |THB:23:22:10.9.11:5.4.6|

CCCCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NC(=O)c1ccc2ncccc2c1)C(C)C |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NC(=O)c1ccc2ncsc2c1)C(C)C |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NC(=O)c1ccncc1)C(C)C |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CC1 |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCC1 |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCC1 |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCCC1 |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C(C)C |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C1CCCC1 |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C(C)C |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C1CCCC1 |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccncc1)C(C)C |r|

CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r|

CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1

CCCCCCNC(=S)N1CCC(=N1)c1cccc(Br)c1 |c:12|

CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)cc1

CCCCNc1nc(Nc2ccccc2)nc(n1)C#N

CCCC[C@H]1O[C@@H]1\C=C\C=O |r|

CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1

CCCCn1c(nc2ccccc12)-c1ccc(Br)cc1

CCCN1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CCCNc1nc(Nc2ccccc2)nc(n1)C#N

CCN(CC)C(=O)\C=C\C1(CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CCN(CC)C(=S)NN=C(C)c1cccc(Br)c1 |w:8.7|

CCN(CC)c1ccc(NC(=O)c2nnc(o2)-c2ccccc2N)cc1

CCN(Cc1ccccc1)c1nc2c(nnn2c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1

CCN1CCC[C@H]1CNC(=O)c1nnc(o1)-c1ccccc1N |r|

CCNC(=S)N1CCC(=N1)c1cccc(Br)c1 |c:8|

CCNC(=S)NN=C(CC)c1cccc(Br)c1 |w:6.5|

CCNc1nc(Nc2ccccc2)nc(n1)C#N

CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N

CCNc1nc(nc2n(cnc12)-c1cccc(Cl)c1)C#N

CCOC(=O)C(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CCOC(=O)C(\C(C)=O)=C1/OC(=O)c2ccccc12

CCOC(=O)C1=C(N=C(SCC(=O)Nc2ccc(C)cc2)C(C#N)C1c1ccco1)c1ccccc1 |t:5,7|

CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1

CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccn1

CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1

CCOC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CCOC(=O)SC1=N\C(=C\c2ccc(cc2)N(C)C)C(=O)S1 |t:6|

CCOC(=O)[C@@H]1O[C@@H]1C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CCOC(=O)[C@H]1O[C@H]1C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CCOC(=O)\C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CCOC(=O)\C=C\C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CCOC(=O)\C=C\C(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|

CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|

CCOC(=O)\C=C\C(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)c1ccccc1)Cc1ccccc1 |r|

CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r|

CCOC(=O)\C=C\C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1 |r|

CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|

CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|

CCOC(=O)\C=C\C1(CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CCOC(=O)\C=C\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|

CCOC(=O)\C=C\CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CCOC(=O)\C=C\[C@@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r|

CCOC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1CC=C

CCOC(=O)c1c2CCCCc2sc1\N=C1/SC(CC(O)=O)C(=O)N1c1ccccc1

CCOC(=O)c1c2CCCCc2sc1\N=c1/scc(-c2ccccc2)n1CC=C

CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1

CCOC(=O)c1s\c(=N/c2sc3CCCCc3c2C(=O)OCC)n(CC=C)c1C

CCOC1Oc2ccccc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1 |r|

CCOc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1

CCOc1nc(nc(n1)N1CCCCC1)C#N

CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

CCSc1nnc(NC(=O)c2ccc(Br)s2)s1

CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1(CC1)C#N |r|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:41|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:45|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@H](C)C(OCCCCC#C)=CC1=O |r,c:43|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:45|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:48|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52|

CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)\C=C\C(=O)N1[C@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52|

CC\C(=N/Nc1nc(c(C)s1)-c1ccc(Br)cc1)c1cccc(Br)c1

CC\C(=N/Nc1nc(c(C)s1)-c1ccccc1)c1cccc(Br)c1

CC\C(=N/Nc1nc(cs1)-c1ccc(C)cc1)c1cccc(Br)c1

CC\C(=N/Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)c1cccc(Br)c1

CC\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1cccc(Br)c1

CC\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1Cl)c1cccc(Br)c1

CC\C(=N/Nc1nc(cs1)-c1ccc(F)cc1)c1cccc(Br)c1

CC\C(=N/Nc1nc(cs1)-c1ccc2ccccc2c1)c1cccc(Br)c1

CC\C(=N/Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O)c1cccc(Br)c1

CC\C(=N/Nc1nc(cs1)-c1ccccc1)c1cccc(Br)c1

CCc1ccc(cc1)C(=O)CSC1=NC(C)=C(C(C1C#N)c1ccco1)C(C)=O |c:16,t:13|

CCc1sc(=NN=C(C)COc2ccccc2)n(C)c1O |w:6.5|

CCc1sc(N=NC(C)COc2ccccc2)nc1S |w:6.6|

CCn1ccnc1C(O)c1cccc(OC)c1OC

CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N

CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)C#N

CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(nn1C)C(C)(C)C |r|

CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12

CN(C)c1ccc(C=NNC(N)=S)c2ccccc12 |w:8.8|

CN(C)c1ccc(\C=N\NC(=O)c2ccc(O)c(O)c2)c2ccccc12

CN(C)c1ccc(\C=N\NC(=O)c2ccccc2)c2ccccc12

CN(C)c1ccc(\C=N\NC(=O)c2ccnc3ccccc23)c2ccccc12

CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|

CN1CCN(CC1)C(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |w:32.35|

CN1CCN(CC1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |w:35.38|

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=O |r|

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(N)=O |r|

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ccccn1 |r|

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ncccn1 |r|

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1Cc2ccccc2C[C@H]1O |r|

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2OC1O |r|

CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2OC1OC(C)=O |r|

CN1CCN(CC1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |w:31.34|

CN1CCN(CC1)C(=S)NN=C(C)c1cccc(Br)c1 |w:10.10|

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

CNC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

CNC(=O)\C=C\C1(CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CNC(=S)N1CCC(=N1)c1cccc(Br)c1 |c:7|

CNc1nc(Nc2ccccc2)nc(n1)C#N

COC(=O)C1C(C(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:36,t:33|

COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl |r|

COC(=O)c1ccc(cc1)-c1nc(no1)-c1ccc(Br)o1

COC(=O)c1ccc2OC(O)[C@H](Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc2ccccc2c1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc2ccccc2c1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccccc1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccccc1)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|

COC1=CC(=O)N([C@@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1CC(C)C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCN(C)CC1 |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|

COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|

COCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r|

COCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C(C)C |r|

COCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C1CCCC1 |r|

COCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C1CCCC1 |r|

COCCN1CC(=O)C(CC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(F)c(F)c3)CC2)c(Cl)c1

COCCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c1C

CON(C)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

CO[C@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r,wU:13.14,2.1,3.3,(8.79,2.81,;7.45,3.58,;6.12,2.81,;6.12,1.27,;7.45,.5,;7.45,-1.04,;6.12,-1.81,;8.79,-1.81,;9.26,-3.28,;10.8,-3.28,;11.28,-1.81,;12.74,-1.34,;10.03,-.91,;4.79,.5,;4.79,-1.04,;3.45,1.27,;2.57,.66,;1.24,1.43,;1.24,2.97,;-.1,3.74,;-1.43,2.97,;-2.76,3.74,;-2.76,5.28,;-4.1,2.97,;-5.43,3.74,;-6.76,2.97,;-6.76,1.43,;-8.1,3.74,;-8.1,5.28,;-9.43,6.05,;-10.77,5.28,;-12.1,6.05,;-10.77,3.74,;-12.1,2.97,;-13.43,3.74,;-14.77,2.97,;-16.1,3.74,;-14.77,1.43,;-9.43,2.97,;-4.1,1.43,;-5.43,.66,;-2.76,.66,;-1.43,1.43,;-.1,.66,;-.1,-.88,;3.45,2.81,;4.79,3.58,;4.79,5.12,;3.45,4.35,)|

COc1cc(C=NNC(=O)c2nc(no2)-c2ccc(Br)cc2)ccc1O |w:5.4|

COc1cc(C=NNC(=O)c2nc(no2)-c2ccc(Cl)cc2)ccc1O |w:5.4|

COc1cc(CNC(=O)c2nnc(o2)-c2ccccc2N)cc(OC)c1OC

COc1cc(OC)cc(c1)C(=O)N\N=C\c1ccc(o1)C(O)=O

COc1cc(\C=C\C(=O)N\N=C\c2ccccc2O)cc(c1OC)[N+]([O-])=O

COc1cc(\C=N\NC(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc(c1O)[N+]([O-])=O

COc1cc(\C=N\NC(=O)\C=C\c2cc(OC)c(OC)c(c2)[N+]([O-])=O)cc(c1O)[N+]([O-])=O

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

COc1ccc(C(=O)N\N=C\c2ccoc2)c(OC)c1

COc1ccc(C(=O)Nc2nncs2)c(OC)c1

COc1ccc(C=NNC(N)=S)cc1O |w:6.5|

COc1ccc(CN=Nc2nccc(n2)C(F)(F)F)cc1 |w:8.8|

COc1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1

COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)cc1 |r|

COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)N[C@H](Cc2ccccc2)C#N)cc1 |r|

COc1ccc(C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(O)=O)cc1 |r|

COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)cc1 |r|

COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(=O)N[C@@H](Cc2ccccc2)C#N)cc1 |r|

COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(=O)N[C@H](Cc2ccccc2)C#N)cc1 |r|

COc1ccc(C[C@H](N[C@H](c2ccccc2)C(F)(F)F)C(O)=O)cc1 |r|

COc1ccc(Cl)cc1NC(=O)COC(=O)C(CC(C)C)N1C(=O)C2CC=CCC2C1=O |c:27|

COc1ccc(NC(=O)COC(=O)C(CC(C)C)N2C(=O)C(Cl)=C(Cl)C2=O)cc1 |t:22|

COc1ccc(NC(=O)COC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O)cc1Cl |c:23|

COc1ccc(NC(=O)c2nnc(o2)-c2ccccc2N)c(OC)c1

COc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1

COc1ccc(OC)c(CNC(=O)c2nnc(o2)-c2ccccc2N)c1

COc1ccc(\C=N\NC(=O)c2ccc(Br)cc2)cc1Cn1cc(Cl)cn1

COc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1

COc1ccc(cc1)-c1ccc(cc1)C(=O)N(CC(=O)NC1(CC1)C#N)Cc1ccccc1

COc1ccc(cc1)-c1ccc(cc1)C(=O)N(CC(=O)NCC#N)Cc1ccccc1

COc1ccc(cc1)-c1csc(N\N=C(/C)c2ccccn2)n1

COc1ccc(cc1)C1Oc2cc(OC)cc(O)c2C(=O)C1c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(OC)c(OC)c1

COc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccc2OCOc2c1

COc1ccc(cc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|

COc1ccc2OC(O)[C@H](Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

COc1ccc2[nH]c(CCNC(=O)COc3ccc4ccccc4c3Br)nc2c1

COc1ccc2cc(O)c(cc2c1)C(=O)NN=Cc1c(O)ccc2ccccc12 |w:17.19|

COc1ccc2cc(O)c(cc2c1)C(=O)N\N=C\c1ccc(s1)-c1cc(nn1C)C(F)(F)F

COc1ccc2ccccc2c1C=NNC(N)=S |w:13.15|

COc1cccc(CN2C(=O)C(=O)c3cc(C)ccc23)c1

COc1cccc(c1)C(C)=NNC(N)=S |w:10.11|

COc1cccc2cc(C(=O)n3ccc(C)n3)c(=O)oc12

COc1ccccc1-c1ccc(C=NNC(N)=S)o1 |w:13.14|

COc1ccccc1CN=Nc1nc(C)cc(n1)C(F)(F)F |w:10.11|

COc1ccccc1C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(=O)OCc1ccccc1)C=O |r|

COc1ccnc(\C=C\[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](C1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(Cl)Cl)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC1CC1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|

CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N)C(F)(F)F |r|

CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12

CSC(=S)NN=C(C)c1cccc(Br)c1 |w:5.4|

CSc1ccc(\C=N\NC(=O)c2cccc(C)c2O)s1

CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1

C[C@@H]1[C@@H]2C=C[C@@H]1[C@H]([C@@H]2C(O)=O)c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 |c:3|

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\c1ccccn1 |r|

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\c1ncccn1 |r|

C[C@](NCc1ccc2ncsc2c1)(C1CCCC1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|

C[C@](NCc1ccc2occc2c1)(C1CCCC1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|

C[n+]1ccccc1\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

C\C(=N/NC(N)=S)c1ccc(cc1)[N+]([O-])=O

C\C(=N/NC(N)=S)c1cccc(Cl)c1

C\C(=N/Nc1nc(C)c(C)s1)c1ccc(Cl)c(Cl)c1

C\C(=N/Nc1nc(C)cs1)c1ccc(Cl)c(Cl)c1

C\C(=N/Nc1nc(cs1)-c1ccc(C)cc1)c1ccccn1

C\C(=N/Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)c1ccccn1

C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1Cl)c1ccccn1

C\C(=N/Nc1nc(cs1)-c1ccc(F)cc1)c1ccccn1

C\C(=N/Nc1nc(cs1)-c1ccc2ccccc2c1)c1ccccn1

C\C(=N/Nc1nc(cs1)-c1ccccc1)c1ccccn1

Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|

Cc1c(\C=N\NC(=O)c2ccc(cc2)[N+]([O-])=O)no[n+]1[O-]

Cc1cc(=O)oc2cc(OCC#N)ccc12

Cc1cc(C)c2[nH]c(O)c(N=NC(N)=S)c2c1 |w:11.11|

Cc1cc(Cl)cc2c(N=NC(N)=S)c(O)[nH]c12 |w:9.9|

Cc1cc(NC(=O)COC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)no1

Cc1cc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)no1

Cc1cc(NC(=O)COC(=O)c2cc(ccc2C)S(=O)(=O)Nc2cccc(C)c2)no1

Cc1cc(NC(=O)Cc2cccs2)no1

Cc1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1

Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N

Cc1cc(ccc1[N+]([O-])=O)C(=O)NCC(=O)OC(C(=O)Nc1cc(ccc1Cl)C(F)(F)F)c1ccccc1

Cc1cc(nc(N=NCc2ccc(Cl)cc2)n1)C(F)(F)F |w:6.5|

Cc1cc(nc(N=NCc2ccccc2C)n1)C(F)(F)F |w:6.5|

Cc1cc2cc(NC(=O)c3nnc(o3)-c3ccccc3N)ccc2[nH]1

Cc1ccc(C)c(SC\C=N\NC(N)=S)c1

Cc1ccc(C)n1C(Cc1ccccc1)C(O)=O |w:7.8|

Cc1ccc(CN=Nc2nccc(n2)C(F)(F)F)cc1 |w:7.7|

Cc1ccc(CNC(=O)c2nnc(o2)-c2ccccc2N)o1

Cc1ccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1

Cc1ccc(C[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1

Cc1ccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1

Cc1ccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1

Cc1ccc(Cl)cc1NC(=O)CCC(=O)Nc1cc(Cl)ccc1C

Cc1ccc(NC(=O)CSC(N)=O)cc1Cl

Cc1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc23)cc1

Cc1ccc(cc1)-c1cc(NC(=O)c2nnc(o2)-c2ccccc2N)[nH]n1

Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

Cc1ccc(cc1)-c1csc(NC(=O)c2ccno2)n1

Cc1ccc(cc1)C(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:8.9|

Cc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc(Cl)sc1Cl

Cc1ccc2N(Cc3cc(C)ccc3C)C(=O)C(=O)c2c1

Cc1ccc2N(Cc3ccccc3-c3ccccc3)C(=O)C(=O)c2c1

Cc1ccc2OC(O)[C@H](Cc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

Cc1ccc2[nH]c(CCNC(=O)COc3ccc4ccccc4c3Br)nc2c1

Cc1ccc2[nH]c(O)c(N=NC(N)=S)c2c1 |w:10.10|

Cc1cccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1

Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1

Cc1cccc(C[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1

Cc1cccc(C[C@H](NC(=O)c2ccc3OCCOc3c2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1

Cc1cccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1

Cc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1

Cc1cccc(OCCNC(=O)n2ccnc2)c1

Cc1cccc(c1)C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl

Cc1ccccc1CN=Nc1nccc(n1)C(F)(F)F |w:9.10|

Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc2ccccc2c1

Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1

Cc1coc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)n1 |r|

Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1ccccc1 |r|

Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cccnc1 |r|

Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1cnccn1 |r|

Cc1nn(nc1CNC(=O)c1nnc(o1)-c1ccccc1N)-c1ccccc1

Cc1occc1C(=O)n1nnc2ccccc12

Cc1sc(N=NCCCSc2ccc(Cl)cc2)nc1O |w:4.3|

Cc1sc(N=NCCCSc2ccccc2)nc1O |w:4.3|

Cc1sc(N=NCCCSc2ccccc2)nc1S |w:4.3|

Cc1sc(N=NCCSc2ccc(C)cc2)nc1O |w:4.3|

Cc1sc(NC(=S)NC(=O)C2CCCCC2)c(C(N)=O)c1C

Cl.Cl.Clc1cc(Br)ccc1-c1ccc(CNCC2CCNCC2)o1

Clc1cc(Br)ccc1-c1ccc(CNCCN2CCOCC2)o1

Clc1cc(Cl)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1

Clc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc23)cc1

Clc1ccc(CSCC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1

Clc1ccc(CSCC(=O)c2ccco2)cc1

Clc1ccc(Cl)c(NC(=O)COC(=O)c2ccccn2)c1

Clc1ccc(Nc2nc(NCCN3CCOCC3)c3ccccc3n2)cc1

Clc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1

Clc1ccc(cc1)C(=O)NCC(=O)OCC(=O)c1ccc2OCCOc2c1

Clc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31|

Clc1ccc(cc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31|

Clc1ccc(cc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1 |t:18,34|

Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1

Clc1ccc2N(C(=O)OCc3ccccc3)C(=O)C(=O)c2c1

Clc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1

Clc1ccc2[nH]c(CCNC(=O)COc3ccc4ccccc4c3Br)nc2c1

Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1

Clc1ccc2c(NCCCN3CCOCC3)ccnc2c1

Clc1ccc2c(NCCN3CCOCC3)ccnc2c1

Clc1ccc2c(NCc3ccccc3)ccnc2c1

Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r|

Clc1cccc(NC(=S)N2CCC(=N2)c2cccc(Br)c2)c1 |c:12|

Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1

Clc1cccc(Nc2nc(nc3n(cnc23)C2CCCC2)C#N)c1

Clc1cccc(c1)C(=O)Nc1ccc(cc1)\N=N\c1ccccc1

Clc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1

Clc1ccccc1OCC(=O)NCCc1nc2ccccc2n1CCC=C

Cn1c(C=NNC(N)=S)cc2ccccc12 |w:4.4|

Cn1c(nc2ccccc12)C(C#N)C(=O)c1sc2ccccc2c1Cl

Cn1c2ccc(CNCCNc3ccnc4cc(Cl)ccc34)cc2n(C)c1=O

Cn1ccc(NC(=O)c2nnc(o2)-c2ccccc2N)n1

Cn1ccc(cc1)=Nc1ccc(NC(=O)c2ccc([N-]c3cc[n+](C)c4ccc(cc34)[N+]([O-])=O)cc2)cc1 |(4.41,-10.01,;4.41,-8.47,;5.75,-7.7,;5.75,-6.16,;4.41,-5.39,;3.08,-6.16,;3.08,-7.7,;4.41,-3.85,;5.75,-3.08,;5.75,-1.54,;7.08,-.77,;8.41,-1.54,;9.75,-.77,;9.75,.77,;8.41,1.54,;11.08,1.54,;11.08,3.08,;12.42,3.85,;13.75,3.08,;15.08,3.85,;15.08,5.39,;13.75,6.16,;13.75,7.7,;15.08,8.47,;15.08,10.01,;16.42,7.7,;17.79,8.52,;19.19,7.73,;19.19,6.13,;17.79,5.34,;16.42,6.16,;20.52,5.35,;21.86,6.12,;20.51,3.81,;13.75,1.54,;12.42,.77,;8.41,-3.08,;7.08,-3.85,)|

Cn1cnnc1SCC(=O)Nc1sc2CCCc2c1C(N)=O

Cn1nc(cc1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1)C(F)(F)F

Cn1nc(cc1C(=O)N(CC(=O)NC1(CC1)C#N)Cc1ccccc1)C(C)(C)C

Cn1nc(cc1C(=O)N(CC(=O)NCC#N)Cc1cccc(Cl)c1)C(C)(C)C

Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r|

Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)C(C)(C)C |r|

Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N)C(C)(C)C |r|

Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N)C(F)(F)F |r|

Cn1nc(cc1C(F)(F)F)-c1ccc(C=NNC(N)=S)s1 |w:15.16|

Cn1nccc1NC(=O)c1nnc(o1)-c1ccccc1N

FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccc(Br)cc1 |r|

FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1cccc(Cl)c1 |r|

FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C#N)c1ccccc1 |r|

FC(F)(F)[C@@H](N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

FC(F)(F)[C@H](N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

FC(F)(F)[C@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1cccc(Cl)c1 |r|

FC(F)(F)[C@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|

FC(F)(F)[C@H](N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N)c1ccc(cc1)-c1ccccc1 |r|

FC(F)(F)c1cc(Cl)ccc1NC(=O)C(OC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1

FC(F)(F)c1ccc(Cl)c(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1

FC(F)(F)c1ccc(NC(=S)N2CCC(=N2)c2cccc(Br)c2)cc1 |c:14|

FC(F)(F)c1ccc(cc1)-c1nc(NC(=O)Nc2ccc(Cl)cc2)cs1

FC(F)(F)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1

FC(F)(F)c1cccc(C[C@H](NC(=O)c2ccccn2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)c1

FC(F)(F)c1cccc(NC(=S)N2CCC(=N2)c2cccc(Cl)c2)c1 |c:15|

FC(F)(F)c1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1

FC(F)(F)c1ccnc(N=NCc2ccc(Cl)cc2)n1 |w:9.8|

FC(F)(F)c1ccnc(N=NCc2ccccc2)n1 |w:9.8|

FC(F)(F)c1ccnc(\C=C\[C@H](CCc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1 |r|

FC(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)C#N

FC(F)CNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N

FC(F)CNc1nc(nc2n(cnc12)-c1cccc(Cl)c1)C#N

FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N

Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1

Fc1cc(F)cc(Nc2nc(nc3n(cnc23)C2CCCC2)C#N)c1

Fc1cc(F)cc(c1)-n1cnc2c(NC3CCCC3)nc(nc12)C#N

Fc1cc(F)cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1

Fc1ccc(Nc2nc(NC3CCCC3)nc(n2)C#N)cc1

Fc1ccc(cc1)-c1c[s+]n(SCC(=O)NC(=O)NCc2ccco2)c1

Fc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1

Fc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1

Ic1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1

Ic1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1

N#Cc1nc(NC2CCCC2)nc(Nc2cccc(c2)-c2ccccc2)n1

N#Cc1nc(NC2CCCC2)nc(Nc2ccccc2)n1

N#Cc1nc(NC2CCCCC2)nc(Nc2ccccc2)n1

N#Cc1nc(NCC2CC2)nc(Nc2ccccc2)n1

N(c1ccccc1)c1nc(Nc2ccccc2)c2ccccc2n1

NC(=O)NN=Cc1ccc(o1)-c1ccc(Br)cc1 |w:4.3|

NC(=O)NN=Cc1ccc(o1)-c1ccc(Cl)cc1 |w:4.3|

NC(=O)NN=Cc1ccc(o1)-c1cccc(Cl)c1 |w:4.3|

NC(=O)N[N-][CH+]c1ccc(OCc2ccc3no[n+]([O-])c3c2)cc1

NC(=O)SCC(=O)Nc1cccc(Cl)c1

NC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

NC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Br)ccc1N

NC(=S)N1CCC(=N1)c1ccc(Cl)c(Cl)c1 |c:6|

NC(=S)N1CCC(=N1)c1cccc(Br)c1 |c:6|

NC(=S)N1CCC(=N1)c1cccc(Cl)c1 |c:6|

NC(=S)N1CCC(=N1)c1cccc(c1)C(F)(F)F |c:6|

NC(=S)N=Nc1c(O)[nH]c2ccc(Br)cc12 |w:3.2|

NC(=S)N=Nc1c(O)[nH]c2ccc(Cl)cc12 |w:3.2|

NC(=S)N=Nc1c(O)[nH]c2ccc(F)cc12 |w:3.2|

NC(=S)N=Nc1c(O)[nH]c2ccc(I)cc12 |w:3.2|

NC(=S)N=Nc1c(O)[nH]c2ccccc12 |w:3.2|

NC(=S)NN=C(C1CC1c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3|

NC(=S)NN=C(C1CCCCC1)c1ccc(Cl)c(Cl)c1 |w:4.3|

NC(=S)NN=C(C=Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3,7.7|

NC(=S)NN=C(CCc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3|

NC(=S)NN=C(COc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3|

NC(=S)NN=C(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3|

NC(=S)NN=C(c1ccccc1)c1cccc(Br)c1 |w:4.3|

NC(=S)NN=C1CCC(C1)c1ccc(Br)cc1 |w:4.3|

NC(=S)NN=C1CCCC(C1)c1ccc(Br)cc1 |w:4.3|

NC(=S)NN=C1CCCc2c(Br)cccc12 |w:4.3|

NC(=S)NN=C1CCCc2ccc(Br)cc12 |w:4.3|

NC(=S)NN=C1CCOc2ccc(Br)cc12 |w:4.3|

NC(=S)NN=C1CCOc2ccccc12 |w:4.3|

NC(=S)NN=C1CCS(=O)(=O)c2c(Br)cc(Br)cc12 |w:4.3|

NC(=S)NN=C1CCS(=O)(=O)c2ccc(Br)cc12 |w:4.3|

NC(=S)NN=C1CCS(=O)(=O)c2ccccc12 |w:4.3|

NC(=S)NN=C1CCSc2ccccc12 |w:4.3|

NC(=S)NN=C1CCc2ccccc12 |w:4.3|

NC(=S)NN=C1CCc2ccccc2O1 |w:4.3|

NC(=S)NN=Cc1cc(Cl)cc(Cl)c1 |w:5.5|

NC(=S)NN=Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3|

NC(=S)NN=Cc1cc(cs1)C#Cc1ccccc1 |w:4.3|

NC(=S)NN=Cc1ccc(Cl)c(Cl)c1 |w:5.5|

NC(=S)NN=Cc1ccc(o1)-c1ccc(Br)cc1 |w:4.3|

NC(=S)NN=Cc1ccc(o1)-c1ccc(Cl)cc1 |w:4.3|

NC(=S)NN=Cc1ccc(o1)-c1cccc(Cl)c1 |w:4.3|

NC(=S)NN=Cc1cccc(Br)c1 |w:5.5|

NC(=S)NN=Cc1cccc(Cl)c1 |w:4.3|

NC(=S)NN=Cc1cccc(Cl)c1Cl |w:5.5|

NC(=S)NN=Cc1cccc(c1)C(F)(F)F |w:4.3|

NC(=S)NN=Cc1ccccc1C(F)(F)F |w:4.3|

NC(=S)NN=Cc1cccn1S(=O)(=O)c1ccccc1 |w:4.3|

NC(=S)N[N-][CH+]c1ccc(OCc2ccc3no[n+]([O-])c3c2)cc1

NC(=S)N[N-][CH+]c1ccc2no[n+]([O-])c2c1

NC(=S)N\N=C(/COc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1

NC(=S)N\N=C(/COc1ccc(F)c(Cl)c1)c1ccc(Br)cc1

NC(=S)N\N=C(/COc1ccc(F)cc1)c1ccc(Br)cc1

NC(=S)N\N=C(\COc1ccc(Br)cc1)c1ccc(cc1)-c1ccccc1

NC(=S)N\N=C\CSc1cccc(Cl)c1

NC(=S)N\N=C\c1ccc(o1)-c1ccc(Br)cc1Cl

NC([NH-])=[NH+]N=Cc1ccc(OCc2ccc3no[n+]([O-])c3c2)cc1 |w:5.5,3.3|

NC([S-])=[N+]=Nc1c2cc(cc[c-]2[nH]c1=[OH+])[N+]([O-])=O

NC1=NS(=O)(=O)N(Cc2ccc(Cl)cc2)c2nc([nH]c12)-c1ccccc1F |t:1|

NC1=NS(=O)(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)n(Cc3ccccc3)c12 |t:1|

NC1=NS(=O)(=O)Nc2nc(Cc3ccccc3)[nH]c12 |t:1|

NC1=NS(=O)(=O)Nc2nc([nH]c12)C1CCCCC1 |t:1|

NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\c1ccccn1 |r|

N[C@@H](Cc1cc(cc(CP(O)(O)=O)c1O)-c1ccc(Cl)cc1Cl)C(O)=O

Nc1c(C#N)c(cc(-c2ccccc2)c1C#N)-c1ccco1

Nc1c(cnn1-c1cc(Cl)cc(Cl)c1)C1=NCCN1 |t:16|

Nc1c(cnn1-c1ccc(Cl)c(Cl)c1)C1=NCCN1 |t:16|

Nc1cccc(F)c1CNC(=O)c1nnc(o1)-c1ccccc1N

Nc1ccccc1-c1nnc(o1)C(=O)NC1CCCCC1

Nc1ccccc1-c1nnc(o1)C(=O)NC1CCCCCC1

Nc1ccccc1-c1nnc(o1)C(=O)NC1CCNCC1

Nc1ccccc1-c1nnc(o1)C(=O)NC1CCc2ccccc12

Nc1ccccc1-c1nnc(o1)C(=O)NC1Cc2ccccc2C1

Nc1ccccc1-c1nnc(o1)C(=O)NCCCN1CCCC1=O

Nc1ccccc1-c1nnc(o1)C(=O)NCCCn1ccnc1

Nc1ccccc1-c1nnc(o1)C(=O)NCCN1CCNC1=O

Nc1ccccc1-c1nnc(o1)C(=O)NCCN1CCOCC1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1c(Cl)cccc1Cl

Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc(Cn2cccn2)cc1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc(Oc2ccccc2)cc1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc(c(F)c1)C(F)(F)F

Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccc2OCOc2c1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1cccc(c1)-n1cccn1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1cccc(c1)N1CCOCC1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1cccc2nsnc12

Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccccc1N1CCOCC1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccccc1OC1CCOCC1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccnc(c1)N1CCOCC1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1ccnc(c1)N1CCSCC1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1csc(n1)-c1cccs1

Nc1ccccc1-c1nnc(o1)C(=O)NCc1nc2ccccc2[nH]1

Nc1ccccc1-c1nnc(o1)C(=O)N[C@H]1CCCCNC1=O |r|

Nc1ccccc1-c1nnc(o1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r|

Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1ccccc1

Nc1ccccc1-c1nnc(o1)C(=O)Nc1cc(n[nH]1)-c1cccs1

Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1

Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc2[nH]ncc2c1

Nc1ccccc1-c1nnc(o1)C(=O)Nc1ccc2oc3CCCCc3c2c1

Nc1ccccc1-c1nnc(o1)C(=O)Nc1cccc(c1)N1CCCC1

Nc1ccccc1-c1nnc(o1)C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1

Nc1ccccc1-c1nnc(o1)C(=O)Nc1nnc(s1)-c1ccc(Cl)cc1

Nc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl

Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)C#N

Nc1ncccc1C(=O)OCC(=O)NC1CCCCCC1

Nc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl

Nc1ncccc1C(=O)OCC(=O)Nc1ccc2OCCOc2c1

Nc1ncccc1C(=O)OCC(=O)Nc1ccccc1OC(F)F

O=C(CN(Cc1ccccc1)C(=O)Cc1ccccc1)NC1(CC1)C#N

O=C(CN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1)NC1(CC1)C#N

O=C(CN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1)NCC#N

O=C(CN(Cc1ccccc1)C(=O)c1ccccc1)NC1(CC1)C#N

O=C(CN(Cc1ccccc1)C(=O)c1ccccc1)NCC#N

O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)NCc1ccc2OCOc2c1

O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1nnc(o1)-c1ccccc1

O=C(COc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1

O=C(COc1cccc2ccccc12)NCCc1nc2ccccc2[nH]1

O=C(COc1ccccc1)NCCc1nc2ccccc2[nH]1

O=C(COc1ccccc1C#N)NCCc1nc2ccccc2[nH]1

O=C(CSCCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

O=C(CSc1ccccc1)NCCc1nc2ccccc2[nH]1

O=C(CSc1nnc(o1)-c1ccccc1)N1CCN(CC1)c1ccccc1

O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc12)N1CCCC1

O=C(N1C(=O)C(=O)c2ccccc12)c1ccccc1

O=C(N1CCOCC1)c1ccc(Nc2nc(NCCN3CCOCC3)c3ccccc3n2)cc1

O=C(N1CCOCC1)c1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1

O=C(NC(=S)Nc1ncccc1OCc1ccccc1)c1cccn1S(=O)(=O)c1ccccc1

O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|

O=C(NC1(CCCC1)C(=O)NC1(CC1)C#N)c1ccccc1

O=C(NC1(CCCC1)C(=O)NCC#N)c1ccccc1

O=C(NCC#N)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|

O=C(NCC#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 |r|

O=C(NCC#N)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)c1ccccc1 |r|

O=C(NCC#N)[C@H](Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)c1ccccc1 |r|

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c(=O)[nH]c1=O |r|

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccco1 |r|

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1cccs1 |r|

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|

O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1cncnc1 |r|

O=C(NN1CCOCC1)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccc2ccccc2c1 |w:36.39|

O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34|

O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCCOc2c1

O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1ccccn1

O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccc1 |r|

O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccn1 |r|

O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1cccnc1 |r|

O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccncc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCCc2ccccc2)CC1=O)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(CCc2ccccc2)CC1=O)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC(=O)N(Cc2ccccc2)CC1=O)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)[C@@H]1CO1)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)[C@H]1CO1)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\c1ncccn1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCC1)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCCC1)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1)OCc1cccnc1

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCc1ccccc1)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccccc1)OCc1ccccc1

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccc1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccccn1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccncc1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ccncn1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncccn1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1ncco1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)\C=C\c1nccs1)OCc1ccccc1 |r|

O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cnoc1)OCc1ccccc1 |r|

O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1

O=C(Nc1cnoc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 |r|

O=C(Nc1cnoc1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|

O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1cccs1

O=C(Nc1nc(cs1)-c1cccs1)c1ccc(cc1)S(=O)(=O)N1CCCC1

O=C(OCc1ccccc1)N1C(=O)C(=O)c2ccccc12

O=C(Oc1cccnc1)c1cc2ccccc2oc1=O

O=C1C=C(Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)C(=O)c2ccccc12 |t:2|

O=C1N(c2ccccc2C1=O)S(=O)(=O)c1ccccc1

O=C1\C(CCC\C1=C/C=C/c1ccco1)=C\C=C\c1ccco1

O=CC1(CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

O=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

O=Cc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12

OB(O)CNS(=O)(=O)Cc1ccc(cc1)C(O)=O

OB(O)CNS(=O)(=O)Cc1ccccc1

OC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O |w:3.3|

OC(=O)C=Cc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 |w:4.4|

OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](c1cccc(Cl)c1)C(F)(F)F |r|

OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](c1cccc(Cl)c1)C(F)(F)F |r|

OC(=O)c1ccc([CH+][N-]NC(=O)c2cccc(c2)[N+]([O-])=O)o1

OC1Oc2ccc(Cl)cc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

OC1Oc2ccc(F)cc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

OC1Oc2ccccc2C[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

OCC(CO)NCc1ccc(o1)-c1ccc(Br)cc1Cl

OCC(CO)NCc1ccc(o1)-c1ccc(Cl)c(c1)C(F)(F)F

OCCCCNc1nc(Nc2ccccc2)nc(n1)C#N

OCCCNc1ccnc2cc(Cl)ccc12

OCCCNc1nc(NCc2ccccc2)c2ccccc2n1

OCCCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12

OCCCNc1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)nc2ccccc12

OCCCNc1nc(Nc2cccc(F)c2)c2ccccc2n1

OCCNCc1ccc(o1)-c1ccc(Br)cc1Cl

OCCNc1ccnc2cc(Cl)ccc12

OCCNc1nc(Nc2ccccc2)nc(n1)C#N

OC[C@H](Cc1ccccc1O)NC(=O)[C@H](Cc1ccccc1)NCC(=O)OCc1ccccc1 |r|

OCc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12

ON=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

O\N=C\CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

Oc1c(NC(=O)Cn2c3ccccc3oc2=O)oc(c1-c1ccccc1)-c1ccccc1

Oc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12

Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1

Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O

Oc1cc2ccccc2cc1C(=O)N[N-][CH+]c1ccc(o1)[N+]([O-])=O

Oc1cc2ccccc2cc1C(=O)N\N=C\c1ccc(o1)-c1ccccc1Cl

Oc1ccc(C=[N+]=N[CH-]c2ccc3no[n+]([O-])c3c2)cc1

Oc1ccc(C=[N+]=N[CH-]c2ccc3no[n+]([O-])c3c2)cc1Br

Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)cc1 |r|

Oc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1

Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O

Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1

Oc1ccc(cc1)C1Oc2cc(O)cc(O)c2C(=O)C1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1

Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

Oc1cccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)c1

Oc1ccccc1C(=O)CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c12

Oc1ccccc1C(=O)N[N-][CH+]c1ccc(o1)-c1ccccc1[N+]([O-])=O

Oc1ccccc1C(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1

Oc1ccccc1C(=O)N\N=C\c1ccnc2ccccc12

Oc1ccccc1C=[N+]=N[CH-]c1ccc2no[n+]([O-])c2c1

Oc1ccccc1\C=N\NC(=O)CCc1ccccc1

Oc1ccccc1\C=N\NC(=O)\C=C\c1ccc2OCOc2c1

Oc1ccccc1\C=N\NC(=O)\C=C\c1ccccc1

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|

[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-1=[#6](-[#6])-[#6](=O)-c2ccccc2-[#6]-1=O |w:18.18,c:20|

[#6]\[#6](-[#6])=[#6]/[#6]-c1cc(-[#6]-[#6]-[#6](=O)-c2c(-[#8])cc3-[#8]C([#6])([#6])[#6]-[#6]-c3c2-[#8])ccc1-[#8]

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8])-c2ccccc2\[#6](=[#7]\[#7]-[#6](-[#7])=S)-[#6]-1=O |c:5|

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8])-c2ccccc2\[#6](=[#7]\[#7]-[#6](=O)-c2ccncc2)-[#6]-1=O |c:5|

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c1-[#8]

[#7]-[#6](=S)-[#7]\[#7]=[#6](\c1cccc(Br)c1)-c1cccc(Br)c1

[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3|

[I-].C[n+]1ccc(\C=C\[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|

[I-].C[n+]1ccccc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

[I-].C[n+]1ccsc1\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

[O-][N+](=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

[O-][N+](=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|

[O-][N+](=O)c1cc(C(=O)NCC=C)c2nc(Nc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2c1

[O-][N+](=O)c1ccc(CN=Nc2nccc(n2)C(F)(F)F)cc1 |w:9.9|

[O-][N+](=O)c1ccc(\C=C\[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 |r|

[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccc(c2)[N+]([O-])=O)o1

[O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\c1c(no[n+]1[O-])-c1ccccc1

[O-][N+](=O)c1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1

[O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]NC(=O)c2ccc3ccccc3c2)o1

[O-][N+](=O)c1cccc(c1)-c1csc(N\N=C\c2ccccn2)n1

[O-][N+](=O)c1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1

[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:14.14,wD:17.18,(-3.71,-.58,;-5.05,-1.36,;-6.38,-.59,;-5.04,-2.91,;-6.38,-3.68,;-6.38,-5.24,;-5.04,-6.01,;-3.71,-5.24,;-3.71,-3.68,;-2.38,-2.9,;-2.38,-1.36,;-1.96,-4.4,;-1.03,-3.67,;.3,-2.9,;1.64,-3.66,;2.97,-2.88,;4.31,-3.65,;4.31,-5.19,;5.64,-5.96,;6.98,-5.19,;8.32,-5.96,;9.66,-5.19,;9.64,-3.66,;10.99,-2.88,;12.33,-3.67,;13.65,-2.91,;14.97,-3.67,;14.97,-5.21,;13.64,-5.99,;12.31,-5.2,;10.99,-5.97,;2.98,-5.96,;1.64,-5.2,)|

[O-][n+]1onc2cc(\C=C/S(=O)(=O)c3ccccc3)ccc12

[O-][n+]1onc2cc(\C=C\S(=O)(=O)c3ccccc3)ccc12

[O-][n+]1onc2ccc([CH+][N-]NC(=S)NCC=C)cc12

[O-][n+]1onc2ccc([CH+][N-]NC(=S)Nc3ccccc3)cc12

[S-]C(=S)OC1CC2CC1C1CCCC21 |w:9.10,13.13,6.5,4.3,8.7,TEB:10:9:7:4.5,12:13:7:4.5,3:4:7:13.9|