molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
CCCC1C(=O)N(C(Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)C(C)NC | [C][C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C] |
O=C(C=Cc1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][#Branch2][C][=C][Branch1][C][O][C][=C][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring2][Ring1][C][O] |
CC(C)C(NC(=O)C(N)CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O | [C][C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CC1CC(=O)C(=O)[C@@]2(C)C1C[C@H]1OC(=O)C(OC(=O)C(=O)OC3C(=O)O[C@@H]4CC5C(C)CC(=O)C(=O)[C@]5(C)[C@H]5[C@]6(O)OC[C@@]45[C@@H]3[C@@H](C)[C@H]6O)[C@H]3[C@@H](C)[C@@H](O)[C@@]4(O)OC[C@]13[C@H]42 | [C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][Ring1][=Branch2][C][C@H1][O][C][=Branch1][C][=O][C][Branch2][Branch1][S][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C@@H1][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][C@][Ring1][=Branch2][Branch1][C][C][C@H1][C@][Branch1][C][O][O][C][C@@][Ring2][Ring1][C][Ring1][=Branch1][C@@H1][Ring2][Ring1][#Branch1][C@@H1][Branch1][C][C][C@H1][Ring1][=Branch2][O][C@H1][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@][Branch1][C][O][O][C][C@][Ring2][Ring2][S][Ring1][#Branch2][C@H1][Ring1][=Branch1][Ring2][Branch1][Branch1] |
CN1CCC[C@H]1c1ccc[n+](C)c1 | [C][N][C][C][C][C@H1][Ring1][Branch1][C][=C][C][=C][N+1][Branch1][C][C][=C][Ring1][#Branch1] |
CC(C)CC(NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(N)CO)[C@@H](C)O)C(C)C)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][=N][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][=Branch2][S][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CSCCC(NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O | [C][S][C][C][C][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
Cn1nc(C(F)(F)F)c(Br)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Br][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C] |
C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=CC4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)c1ccccc1 | [C][=C][Branch1][C][C][C@@][O][C@@][Branch1][#Branch2][/C][=C][/C][=C][/C][C][C][C][C][O][C@@H1][Ring1][=C][C@@H1][C@@H1][O][C@][Ring1][Ring1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][Ring1][Branch2][C@@][Ring1][P][Branch1][Branch1][O][Ring2][Ring1][=C][C@H1][Branch1][C][C][C@H1][Ring2][Ring2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCCCCCn1c2c(c(=N)c3c1CCC3)CCCC2 | [C][C][C][C][C][C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=N][C][=C][Ring1][#Branch1][C][C][C][Ring1][Branch1][C][C][C][C][Ring1][=N] |
C=C(C)[C@@]12C[C@@H](C)[C@@]34O[C@@]5(/C=C/CCCCCCCCCCCC(C)(O)[C@H]6C(C)C(=O)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 | [C][=C][Branch1][C][C][C@@][C][C@@H1][Branch1][C][C][C@@][O][C@@][Branch2][=Branch1][Branch1][/C][=C][/C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][O][C@H1][C][Branch1][C][C][C][=Branch1][C][=O][C@@][Branch1][C][O][Branch2][Ring1][#Branch2][C@H1][Branch1][C][O][C@@][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch1][C@H1][Ring2][Ring2][C][C@H1][Ring2][Ring2][#Branch1][O][Ring2][Ring2][C][C@@H1][Ring2][Ring1][C][Ring2][Ring2][Branch1][O][Ring2][Ring2][#Branch2] |
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@]2(CCCC(OC(C)=O)C(C)C/C=C/c3ccccc3)OC(C(=O)O)[C@@](O)(C(=O)O)[C@]1(C(=O)O)O2 | [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][O][C@@][Branch2][Ring1][N][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C@][Ring2][Ring2][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring2][Ring2][Ring1] |
CN1[C@@H](CCCc2ccccc2)CCC[C@H]1Cc1ccccc1 | [C][N][C@@H1][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCCCCCCCC[C@H](O)[C@@H](O)CC[C@H](O)[C@@H](O)CC[C@@H](O)[C@H]1CC[C@H](CCCCCCCCCC2=C[C@H](C)OC2=O)O1 | [C][C][C][C][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C@H1][C][C][C@H1][Branch2][Ring1][Branch1][C][C][C][C][C][C][C][C][C][C][=C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O][O][Ring2][Ring1][Branch1] |
C#CC(C)(O)CC | [C][#C][C][Branch1][C][C][Branch1][C][O][C][C] |
Cc1cccc(CN(Cc2cccc(C)c2)c2ccc(NC(=O)c3ccc(NCCN=C(N)N)c(-c4ccccc4)c3)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Branch1][S][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][N][=C][Branch1][C][N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N][=C][Ring2][Ring2][N] |
COC(=O)C1C(=Nc2ccc(OC)cc2)CC(c2ccc(F)cc2)N(c2ccc(OC)cc2)C1c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][C][=Branch1][=C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CC(C)CC1NC(=O)C(C)NC(=O)C2CSSCC(NC(=O)CN)C(=O)NC(CSSCC(C(=O)O)NC(=O)C3CCCN3C(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC1=O)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)N2 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][S][S][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch2][Branch1][#Branch2][C][S][S][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][Branch1][=Branch2][=O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring2][=Branch1][S] |
CCc1nc(COC(=O)NC(C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cs1 | [C][C][C][=N][C][Branch2][=Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][S][Ring2][Ring2][#C] |
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC(C)=O)[C@@H](C)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC(C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)[C@@H]2O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | [C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][=C][#Branch2][O][C@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][O][C@@H1][Branch2][Branch2][=C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][O][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@][Branch1][C][C][Branch1][Ring1][C][=O][C@@H1][Ring2][Ring2][C][C][C][C@@][Ring2][Ring2][=Branch1][Branch1][C][C][C@][Ring2][Ring2][O][Branch1][C][C][C][C@H1][Ring2][Branch1][=Branch1][O][C@@H1][Ring2][=Branch1][Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring2][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][S][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring2][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring2][Ring2][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch2][Ring2][O] |
CO[C@H]1[C@@H](OC)CC(C)=Cc2c(O)c(cc(O)c2NCCN(C)C)NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H]1C | [C][O][C@H1][C@@H1][Branch1][Ring1][O][C][C][C][Branch1][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][P][=C][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][N][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][/C][Branch1][C][C][=C][/C@@H1][Ring2][Ring2][#Branch2][C] |
CCC(=O)OC1=C2C(C)[C@@H](OC(=O)C(=O)C(CC(C)C)NC(=O)OC3CCCC3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C | [C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][C@@H1][Branch2][Ring1][S][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][C@@][Branch1][C][O][Branch2][Ring2][S][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][O][C@@H1][Ring1][Branch2][C][C@H1][Branch1][C][O][C@@][Ring1][=N][Branch1][C][C][C][Ring2][Branch1][Ring2][=O][C][Ring2][Branch1][Branch1][Branch1][C][C][C] |
CC(=O)NCCCCC(NC(=O)C1Cc2ccccc2CN1C(=O)C(N)Cc1c(C)cc(O)cc1C)C(=O)c1nc2ccccc2[nH]1 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CC[C@H]1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)CCNC(=O)OC(C)(C)C)[C@@](C)(O)CC(C)C(=O)C(C)[C@@H](OC(=O)CCNC(=O)OC(C)(C)C)[C@@]1(C)O | [C][C][C@H1][O][C][=Branch1][C][=O][C][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring2][=Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@@][Ring2][=Branch1][#Branch1][Branch1][C][C][O] |
COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccc(F)c(F)c2)C(C)(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][N][=C][Branch1][Ring2][N][C][#N][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=N][O][C] |
CCCCCCC(C)CC(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)CC(O)CC(=O)CC)NC(=O)C1CCCN1C(=O)CCC)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NCCC(=O)NC(C)CNCCO | [C][C][C][C][C][C][C][Branch1][C][C][C][C][Branch2][=Branch1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][Branch1][C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][C][C][O] |
C=C(C)[C@H]1[C@@H]2C[C@@H](C)CC[C@H]2C(C)=C[C@H]1O | [C][=C][Branch1][C][C][C@H1][C@@H1][C][C@@H1][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C][Branch1][C][C][=C][C@H1][Ring1][N][O] |
O=C(/C=C/c1ccc(Sc2ccccc2OCc2ccccc2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1 | [O][=C][Branch2][Branch1][Ring2][/C][=C][/C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][C][O][C][C][Ring1][=Branch1] |
C/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H](OC(=O)C(C)CC)[C@H](O[C@H]3[C@H](O[C@H]4[C@H](O[C@H](CCCCC)CCCCCCCCCC(=O)O)O[C@H](C)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H]2C)O[C@@H]1C | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][#Branch1][#C][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C@H1][Branch2][Branch1][P][O][C@H1][C@H1][Branch2][Ring2][N][O][C@H1][C@H1][Branch2][Ring1][Branch2][O][C@H1][Branch1][=Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][O][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch1][O][O][C@H1][Ring2][Branch1][=Branch1][C][O][C@@H1][Ring2][Branch1][S][C] |
O=C(O)CNC(=O)Sc1ccccn1 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=N][Ring1][=Branch1] |
C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](NCCCN)[C@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)C2C(=O)O | [C][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][/C][=C][/C][=C][/C][=C][/C][=C][/C][=C][/C][=C][/C@H1][Branch2][Ring1][Branch2][O][C@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][=Branch1][N][C][C][C][N][C@H1][Ring1][=N][O][C][C@@H1][O][C@][Branch1][C][O][Branch2][Ring2][Branch1][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C@H1][Ring2][Branch1][N][C][C][C@H1][Branch1][C][O][C][Ring2][Ring1][=N][C][=Branch1][C][=O][O] |
CN(C)c1ccc(/C=N/NC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=C][/C][=N][/N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch2] |
Cc1nc(C)c(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1C | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][N][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][N][=C][Ring2][Ring1][Branch2][C] |
CSCCC(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CO)C(C)C)[C@@H](C)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)[C@@H](C)O | [C][S][C][C][C][Branch2][=Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch2][#Branch1][P][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O] |
CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)[C@H]7CC[C@]89C(=O)O[C@@](C)(CCCC(C)C)[C@H]8[C@@H](OC(C)=O)C[C@@]9(C)C7=CC[C@H]6C5(C)C)OC[C@@H](OS(=O)(=O)O)[C@@H]4O)O[C@@H]3C)O[C@H](COS(=O)(=O)O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@H]1O | [C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][#Branch2][S][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch2][Ring1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][#Branch1][#C][O][C@H1][C@H1][Branch2][=Branch1][=Branch1][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@][C][=Branch1][C][=O][O][C@@][Branch1][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C@H1][Ring1][=N][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@][Ring2][Ring1][Ring2][Branch1][C][C][C][Ring2][Ring1][=Branch2][=C][C][C@H1][Ring2][Ring1][=C][C][Ring2][Ring2][C][Branch1][C][C][C][O][C][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Ring2][Ring2][S][O][O][C@@H1][Ring2][Branch1][#Branch2][C][O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Ring2][=Branch1][=Branch2][O][O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Ring2][#Branch1][Branch2][O] |
CCCCCCC[C@H](O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC([C@H](C)CC)C(=O)O[C@H]1C | [C][C][C][C][C][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][O][C@H1][Ring2][Ring2][S][C] |
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC(C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@][Branch1][C][C][C][=Branch2][#Branch1][#Branch2][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring2][Ring1][Ring2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][C][C@@H1][Ring2][Ring2][=Branch2][C][C][C@][Ring2][Ring2][=N][Ring2][Branch1][C][C][C@@H1][Ring2][Branch1][O][C][C][Ring2][=Branch1][Branch1][Branch1][C][C][C] |
CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3nc(c(-c4ccccc4)c4nc(c(-c5ccc(NC(=O)Cn6cc(F)c(=O)[nH]c6=O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch2][=Branch1][C][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][=Branch1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring2][S][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Ring2][Branch1][C][NH1][Ring1][Branch1][C][=C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][#Branch2][C][=C][Ring2][Branch1][=N] |
C=C1CC(C(=O)OC)[C@]2(C)CC[C@]3(C)[C@H]4[C@H](O)[C@@H](O)[C@]5(COC(C)=O)[C@@H](C)[C@@H](OC(C)=O)CC[C@H]5[C@]4(C)CC[C@@]3(O)[C@]2(O)C1 | [C][=C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C@H1][Ring1][S][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][C@@][Ring2][Ring1][N][Branch1][C][O][C@][Ring2][Ring2][C][Branch1][C][O][C][Ring2][Ring2][O] |
CC(C)=CC(=O)C[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC4O[C@H](C)[C@@H](O)[C@H](OC5OC[C@@H](OC6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6OC6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5OC5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C | [C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch2][#Branch1][=N][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch1][=Branch2][O][C][O][C][C@@H1][Branch2][Ring2][=Branch1][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][N][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring2][S][O][C@H1][C][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C@][Ring1][O][Branch1][C][C][C][Ring2][=Branch1][C][=C][C][C@@][Ring2][=Branch1][=Branch1][Ring2][=Branch1][=Branch2][C] |
CN(C)c1ccc(C2=NC(C)(C)C(C)(C)N2O)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][=Branch2][O][C][=C][Ring1][S] |
C=C(C)/C(C)=C\CC(C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3 | [C][=C][Branch1][C][C][/C][Branch1][C][C][=C][\C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][C][C][C@@][Branch1][C][C][C][=C][Branch1][=Branch2][C][C][C@][Ring1][#Branch2][Ring1][#Branch1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=N][C][C][Ring2][Ring1][Branch1] |
C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H]4O[C@]45[C@@H](CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5(C)C)[C@]3(C)C(=O)C[C@]12C | [C][C@H1][Branch1][#C][C][C][C@@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C@@H1][O][C@][Ring1][Ring1][C@@H1][Branch2][Ring2][Ring1][C][C][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Ring2][Ring1][C][Branch1][C][C][C][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C][=Branch1][C][=O][C][C@][Ring2][Ring2][Ring1][Ring2][Ring1][S][C] |
Cn1nc(C(=O)NCCO)c2c1-c1nc(Nc3ccccc3)ncc1CC2 | [C][N][N][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring1][O][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][C][Ring1][P] |
CC(C)CC1NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC1=O | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][Ring2][=Branch2][O][=O] |
CCn1ncc2c(-c3cncc(C)c3)c(/C=C/C(=O)O)cnc21 | [C][C][N][N][=C][C][=C][Branch1][N][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] |
CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13 | [C][N][C][C@@H1][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C@@][Branch2][Ring1][=Branch1][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][=O][C@][Ring2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1] |
CO[C@H]1CC(C)=Cc2c(O)c(cc(O)c2N2CCC2)NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)C1=NO | [C][O][C@H1][C][C][Branch1][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][#C][=C][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][C][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][/C][Branch1][C][C][=C][/C@H1][Branch1][C][C][C][Ring2][Ring2][#Branch1][=N][O] |
NCCCCN(CCCN)C(=O)CCCCNC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NCCCCC(=O)N(CCCN)CCCCN)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NCCCCC(=O)N(CCCN)CCCCN)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NCCCCC(=O)N(CCCN)CCCCN)cc4)c4nc2C=C4)C=C3)cc1 | [N][C][C][C][C][N][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][N][Ring2][C][=C][N][=C][Branch2][O][Branch2][C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][N][C][C][C][C][N][C][=C][Ring2][Ring1][=Branch2][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][N][C][C][C][C][N][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][N][C][C][C][C][N][C][=C][Ring2][Ring1][=Branch2][=C][N][=C][Ring2][#Branch1][#C][C][=C][Ring1][Branch1][C][=C][Ring2][Branch2][C][C][=C][Ring2][Branch2][=Branch2] |
CC1(NC(=O)NC2CCCCCCCCCCC(C(=O)C(N)=O)NC(=O)C3C4[C@@H](CN3C2=O)C4(C)C)CCCCC1 | [C][C][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][#Branch2][C][N][Ring1][Branch1][C][Ring2][Ring1][#Branch2][=O][C][Ring1][#Branch1][Branch1][C][C][C][C][C][C][C][C][Ring2][Ring2][Branch2] |
NCCCNCCCCN(CCCN)C(=O)CCCCNC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NCCCCC(=O)N(CCCN)CCCCNCCCN)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NCCCCC(=O)N(CCCN)CCCCNCCCN)cc4)c4ccc([nH]4)c(-c4ccc(C(=O)NCCCCC(=O)N(CCCN)CCCCNCCCN)cc4)c4nc2C=C4)C=C3)cc1 | [N][C][C][C][N][C][C][C][C][N][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][N][S][C][=C][N][=C][Branch2][N][Ring2][C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][N][C][C][C][C][N][C][C][C][N][C][=C][Ring2][Ring1][=N][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][N][C][C][C][C][N][C][C][C][N][C][=C][Ring2][Ring1][=N][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][N][C][C][C][C][N][C][C][C][N][C][=C][Ring2][Ring1][=N][=C][N][=C][Ring2][Branch2][O][C][=C][Ring1][Branch1][C][=C][Ring2][Branch2][=C][C][=C][Ring2][=Branch2][Branch1] |
CC(C)=CCc1c2c(cc3c4c([nH]c13)[C@@]1(C)[C@@H](CC[C@@H]3[C@]1(C)CC[C@]1(O)O[C@H](/C=C(\C)C(=O)O)C[C@@]31C)C4)C1=C([C@@H]2O)C(C)(C)OC(C)(C)C1 | [C][C][Branch1][C][C][=C][C][C][=C][C][=Branch2][Branch1][=N][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][Branch1][C][C][C@@H1][C@][Ring1][#Branch1][Branch1][C][C][C][C][C@][Branch1][C][O][O][C@H1][Branch1][O][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C][C@@][Ring1][P][Ring1][N][C][C][Ring2][Ring1][N][C][=C][Branch1][=Branch1][C@@H1][Ring2][Ring2][Ring1][O][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][N] |
CC[C@H](C)C1NC(=O)c2nc(oc2-c2ccccc2)-c2coc(n2)-c2csc(n2)-c2coc(n2)-c2coc(n2)C(COC(=O)COCCOC)NC(=O)C(C(C)C)NC1=O | [C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][C][Branch1][=N][C][O][C][=Branch1][C][=O][C][O][C][C][O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Branch1][#Branch1][=O] |
Cc1c(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc3)cc2)oc2cccc(Oc3ccccc3)c12 | [C][C][=C][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][#Branch2][Ring1][=N] |
O=C1N=C(NC2CC2)N=C1Cc1c[nH]c2ncccc12 | [O][=C][N][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CC(=O)O[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3CC4(CC[C@@]32C)OOC(C)(C)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)Nc3ccccc3)[C@@]12C | [C][C][=Branch1][C][=O][O][C@H1][C][C@H1][C@@H1][Branch2][Ring2][Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][C][C][Branch1][=Branch2][C][C][C@@][Ring1][=Branch1][Ring1][=C][C][O][O][C][Branch1][C][C][Branch1][C][C][O][O][Ring1][N][C@@H1][C][C][C@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Ring2][Ring2][#Branch2][Ring2][Ring1][C][C] |
CC(=O)Nc1cc(F)c(C(=O)O)cc1NC(C)=O | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][N][C][Branch1][C][C][=O] |
CC(C)CC(=O)C[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch2][Branch1][#Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Ring1][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring1][N][O][C@H1][C][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C@][Ring1][O][Branch1][C][C][C][Ring2][Ring2][=C][=C][C][C@@][Ring2][Branch1][C][Ring2][Branch1][Branch1][C] |
C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][C][C@][Branch1][C][C][C@H1][Branch2][=Branch1][Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][Ring1][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][=N][C][C][C@][Ring2][Ring1][P][Ring2][Ring2][=Branch1][C][C@@H1][Ring2][Branch1][N][Ring2][Branch1][=Branch2] |
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=S)NC9CC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 | [C][C][C@][C][=C][C][N][C][C][C@@][Branch2][Branch2][=C][C][=C][C][Branch2][Branch1][S][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@H1][C][C@@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][C][N][Branch2][Ring1][S][C][C][C][=C][Ring2][Ring1][Ring1][NH1][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=S][N][C][C][C][Ring1][Ring1][C][=C][Ring1][S][Ring1][=N][C][Ring2][Ring1][N][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring2][#Branch2][N][Branch1][C][C][C@H1][Ring2][Ring2][=C][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Branch1][N][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][=N][Ring2][Branch1][P] |
C[C@@H](S[C@H]1CO[C@H](/C=C/C=C/c2ccc(C#N)cc2F)OC1)[C@@](Cn1cncn1)(OC(=O)CCN)c1ccc(F)cc1F | [C][C@@H1][Branch2][Ring1][#C][S][C@H1][C][O][C@H1][Branch2][Ring1][C][/C][=C][/C][=C][/C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][O][C][Ring2][Ring1][Ring1][C@@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C | [C][C@@H1][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C@H1][C][C@H1][C@@H1][C][C][C@H1][C][C@@H1][Branch2][Branch2][#Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch2][#Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][=Branch1][O][C][C][C@][Ring2][Branch1][=C][Branch1][C][C][C@H1][Ring2][=Branch1][Ring1][C][C][C@][Ring2][=Branch1][#Branch1][Branch1][C][C][C@H1][Ring2][=Branch1][O][C@@H1][Ring2][=Branch1][S][C] |
Cc1ncc(C2CCCN2C)c2c1[nH]c1ccccc12 | [C][C][=N][C][=C][Branch1][=Branch2][C][C][C][C][N][Ring1][Branch1][C][C][=C][Ring1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CC1(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)[C@H](OC(=O)c2ccccc2)C1 | [C][C][Branch1][C][C][C][C@@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][=Branch1][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Ring1][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][=C][C][C][C@@][Ring2][Ring2][C][Branch1][C][C][C@][Ring2][Ring2][#Branch1][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][Ring2][Ring2][=N][Branch1][Ring1][C][O][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Branch1][=N] |
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCCCF | [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=C][Ring1][#C][C][C][C][C][C][F] |
CC1=C(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 | [C][C][=C][Branch2][Ring1][N][C][C][C@H1][Branch1][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][C][C@H1][C@@H1][C][C][C@@H1][C][C@@H1][Branch2][Ring2][Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][C][C@][Ring2][Ring1][=N][Branch1][C][C][C@H1][Ring2][Ring2][C][C][C][C@][Ring2][Ring2][=Branch1][Branch1][C][C][C@@H1][Ring2][Branch1][=C][Ring2][Ring2][#Branch2] |
Nc1nc(=O)c2ncn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5ccc(=O)[nH]c5=O)[C@H](O)[C@@H]4O)O3)c2[nH]1 | [N][C][=N][C][=Branch1][C][=O][C][N][=C][N][Branch2][=Branch1][O][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Branch1][=N][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][O][Ring2][Ring2][Branch2][C][=Ring2][Ring2][=N][NH1][Ring2][Branch1][C] |
Nc1ccc(S(=O)(=O)N(CCCNCCN(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)Cc2ccccc2)cc1 | [N][C][=C][C][=C][Branch2][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch2] |
CCC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]([C@H]1C)[C@@H](OC(C)=O)[C@]13O[C@]1(C)C(=O)O[C@H]3/C=C(/C)C[C@H](OC(C)=O)[C@H]2OC(C)=O | [C][C][C][=Branch1][C][=O][O][C@H1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Branch1][C][C][C@H1][Branch1][Branch1][C@H1][Ring1][O][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][O][C@][Ring1][Ring1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][Branch2][/C][=C][Branch1][C][/C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][N][O][C][Branch1][C][C][=O] |
CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccccc2)cc1O | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][O] |
CC(C)(C)C(NC(=O)NC(C(=O)N1C[C@H]2C(C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(=O)OCc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Branch1][#C][N][C][=Branch1][C][=O][N][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C@H1][C][Branch2][Ring1][O][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][N][=O][C][Ring1][P][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1 | [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch2][Branch1][=N][O][C@@H1][O][C@H1][Branch2][Ring2][=Branch2][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=C][O][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][Ring2][Ring2][#C][=C][Ring2][Branch1][Ring2] |
CCCCCCS(=O)(=O)NCCCc1c[nH]c(N)n1 | [C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][NH1][C][Branch1][C][N][=N][Ring1][=Branch1] |
C=C[C@@](C)(O)CC/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O[C@H]2[C@H](O)[C@@H](COC(C)=O)O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8OC[C@H](O)[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)OC[C@H]1O | [C][=C][C@@][Branch1][C][C][Branch1][C][O][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][=C][Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][O][C@@H1][Branch2][#Branch2][S][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][=Branch1][=C][O][C@@H1][O][C@H1][Branch2][Ring1][P][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring1][P][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Branch1][Branch1][C][C][C@@][Ring2][Branch1][=Branch2][Branch1][C][C][C@][Ring2][Branch1][=C][Branch1][C][C][C][C@H1][Ring2][=Branch1][=Branch2][O][C@@H1][Ring2][#Branch1][=Branch2][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@][Branch1][C][O][Branch1][Ring1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring1][P][O][O][C][C@H1][Ring2][=Branch2][=C][O] |
CC(C(=O)N1CCN(CC2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3cccc(-c4ccccc4)c3)nn2)O1 | [C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][N][C@H1][C][C][C@@H1][Branch2][Ring2][#Branch1][C][C@@H1][Branch1][C][C][N][C][=C][Branch2][Ring1][#Branch1][C][#C][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][N][=N][Ring2][Ring1][Branch1][O][Ring2][Ring1][=N] |
C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@H]3OC(C)(C)O[C@@H]3C3=C(C)C(=O)C[C@@H]([C@@H](OC(=O)/C=C/c4ccccc4)[C@H]12)C3(C)C | [C][=C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@][Branch1][C][C][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][#Branch2][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring2][N][Ring2][Ring1][=N][C][Ring2][Ring1][Branch1][Branch1][C][C][C] |
NC(=S)N1N=C(c2ccccc2)CC1c1ccccc1Cl | [N][C][=Branch1][C][=S][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CC=CC(=O)Cc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 | [C][C][=C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][=C][C][=N][Ring2][Ring1][C] |
CC[C@H](C)C1NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C([C@@H](C)CC)NC(=O)C(CO)NC(=O)C(N)C(C)(C)SSCC(C(=O)O)NC(=O)C(CCCCN)NC1=O | [C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][C][Branch1][C][C][S][S][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][Ring2][#Branch1][Branch2][=O] |
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C@@H1][Branch1][Branch1][C][Ring2][Ring1][#Branch1][N][Ring1][#Branch2][C][=C][Ring2][Ring1][=C] |
CC(=O)NC(CC(C)C)C(=O)N1CCC[C@H]1CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(N)=O | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O] |
CC[C@H](C)C(NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]cn1)C(=O)N(C)C(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch3][Ring1][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Branch2][S][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O] |
C=C1[C@H](Cl)[C@@H]2OC(=O)C(C)[C@]23O[C@@]1(O)C[C@H](OC(C)=O)[C@]1(C)[C@H]([C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@@H]1OC(C)=O)[C@@H]3OC(C)=O | [C][=C][C@H1][Branch1][C][Cl][C@@H1][O][C][=Branch1][C][=O][C][Branch1][C][C][C@][Ring1][#Branch1][O][C@@][Ring1][N][Branch1][C][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][C][C][C@H1][Branch2][Ring1][#C][C@@H1][Branch1][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][P][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][S][O][C][Branch1][C][C][=O] |
CCC1NC(=O)C(CCCN=C(N)NC)NC(=O)[C@](C)(NC(=O)C(C)C)CCCCNC(=O)C(c2ccccc2)NC1=O | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][O][C][C][C][N][=C][Branch1][C][N][N][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Ring2][Branch2][=O] |
CCCCCCCCC[C@H](CCCCCCCC(C)=O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)CCC)[C@H]1O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O | [C][C][C][C][C][C][C][C][C][C@H1][Branch1][=N][C][C][C][C][C][C][C][C][Branch1][C][C][=O][O][C@@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][O][C@H1][Branch2][Ring2][Ring2][C][O][C@@H1][O][C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][#C][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C@H1][Ring2][Ring2][Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][#C][O][C][Branch1][C][C][=O] |
N#Cc1c(-c2cccc(Cl)c2)[nH]c(N)nc1=O | [N][#C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][NH1][C][Branch1][C][N][=N][C][Ring1][=C][=O] |
CC(C)(O)CCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 | [C][C][Branch1][C][C][Branch1][C][O][C][C][N][C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] |
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1Cl)C(C)(C)O2 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][Ring1][#C][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][=Branch1] |
Cc1c(Cl)c(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN | [C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][N] |
COc1c(N2CCN(Cc3oc(=O)oc3-c3ccc(P(=O)(O)CP(=O)(O)O)cc3)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 | [C][O][C][=C][Branch2][Branch1][Branch1][N][C][C][N][Branch2][Ring2][=Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][P][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][=C][C][Branch1][C][C][C][Ring2][Ring1][N][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring2][=C][=Ring1][=N] |
Cc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2C(=O)OCc2ccc(C(=O)O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=N][C][=C][Branch1][Ring1][C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][Ring1][=N][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CCCCCCCCCCCCCCCCCCOCC1CC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][O][Ring2][Ring1][=Branch1] |
CC(C)CC1NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C2c3ccccc3-c3ccccc32)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C2c3ccccc3-c3ccccc32)NC1=O | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][N][C][Ring2][#Branch1][=Branch2][=O] |
CC(C)CC(NC(=O)CNC(=O)CNC(=O)C(Cc1ccccn1)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCC(N)=O)C(C)(C)S)[C@@H](C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CS)C(=O)NC(CC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][#Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][Ring2][N][C][=Branch1][C][=O][C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][Branch1][C][C][S][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][=Branch1][C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch2][Ring2][#Branch2][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][#C][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch2][S][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][=Branch1][=N][O][C@@H1][O][C][C@H1][Branch2][Ring2][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Branch1][Ring2][C][C][C@][Ring2][Branch1][Branch2][Ring2][Branch1][=N][C][C@@H1][Ring2][Branch2][Branch2][Ring2][Branch2][Branch1] |
CN(C)C(=O)c1nc2ccc(Cl)cc2n1C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C] |
CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)C | [C][C][Branch1][C][C][C][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CO[C@H]1C=CC=C(C)C(=O)Nc2cc(O)c(NCCN3CCCC3)c(c2O)C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O | [C][O][C@H1][C][=C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][O][=C][Branch1][O][N][C][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][Branch1][=C][Ring1][#C][O][C][=C][Branch1][C][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Ring2][Ring2][Branch2][O][C][Branch1][C][N][=O] |
Cc1ccc(OC2CCN(CCCCC3(C)C(=O)Nc4ccccc43)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][C][C][N][Branch2][Ring1][Branch2][C][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OCCCCCSCCC[Si](CCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)(CCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)CCC[Si](C)(C)CCC[Si](CCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)(CCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)CCCSCCCCCO[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H](O)[C@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][C@@][Branch3][Ring2][Ring1][O][O][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Branch3][Ring2][C][Ring2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch3][Ring1][S][=N][O][C][C][C][C][C][S][C][C][C][Si][Branch2][#Branch1][N][C][C][C][S][C][C][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Branch1][=C][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][O][Branch2][#Branch1][N][C][C][C][S][C][C][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Branch1][=C][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][O][C][C][C][Si][Branch1][C][C][Branch1][C][C][C][C][C][Si][Branch2][#Branch1][N][C][C][C][S][C][C][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Branch1][=C][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][O][Branch2][#Branch1][N][C][C][C][S][C][C][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Branch1][=C][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][O][C][C][C][S][C][C][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Branch1][=C][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch2][O][O][C@@H1][Ring3][Ring1][Ring1][P][C][O][C@@H1][Ring3][Ring1][Ring2][=N][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring3][Ring1][Branch1][=C][O] |