molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C3OC(C)(C)OC3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)C4O[C@]43[C@@]21C | [C][C][=Branch1][C][=O][O][C@@H1][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][C@][Ring1][=C][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][C][=Branch1][C][=O][C][O][C@][Ring1][Ring1][Ring1][=C][C@@][Ring2][Ring1][C][Ring2][Ring2][Ring1][C] |
CC1(C)SCN(C(=O)C(O)C(Cc2ccccc2)NC(=O)COc2ccccc2O)C1C(=O)N[C@H]1c2ccccc2C[C@H]1O | [C][C][Branch1][C][C][S][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][=C][C][=Branch1][C][=O][N][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][O] |
O=c1[nH]nc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 | [O][=C][NH1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][C][C][Branch2][Ring1][C][C][=N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2][N][=C][Ring2][Ring2][Ring2][C][=C][N][Ring2][Ring2][O][Ring2][Ring2][Branch2] |
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)NC(C)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][C][Branch1][C][C][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[C@@H](O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(NC(N)=O)cc2)NC(=O)C(NC(=O)C(Cc2ccc(Cl)cc2)NC(N)=O)CSSCC(C(=O)NC(Cc2ccc3ccccc3c2)C(N)=O)NC1=O | [C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][Branch1][C][N][=O][C][S][S][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][N][=O][N][C][Ring2][#Branch1][Ring2][=O] |
CCc1c(C2=NC(=O)C(C)(C)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1 | [C][C][C][C][Branch2][Ring1][C][C][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][Ring1][Branch2][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
COc1cc(-c2cc(OC)c(O)c3c2CC[C@@H](c2cc(OC)c(OC)c(OC)c2)O3)c2c(c1O)O[C@H](c1cc(O)c(OC)c(OC)c1)CC2 | [C][O][C][=C][C][Branch2][Ring2][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][C][C][C@@H1][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][Ring2][Ring1][C][=C][C][=Branch1][=Branch1][=C][Ring2][Ring1][#C][O][O][C@H1][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1] |
CC(=O)OC1C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](c5ccoc5)OC(=O)C5O[C@]54[C@]3(C)[C@H](OC(C)=O)C[C@H]2C1(C)C | [C][C][=Branch1][C][=O][O][C][C][=C][C@][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][O][C][=Branch1][C][=O][C][O][C@][Ring1][Ring1][Ring1][=C][C@][Ring2][Ring1][C][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@H1][Ring2][Ring1][N][C][Ring2][Ring1][S][Branch1][C][C][C] |
CC(C)CC(NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(N)CS)[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][=Branch1][N][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][=C][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][Branch1][N][N][C][=Branch1][C][=O][C][Branch1][C][N][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] |
NC(=O)CC(NC(=O)C1(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(=O)O)CCCCC1)C(=O)NCCCc1cccc2c(OC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cccc12 | [N][C][=Branch1][C][=O][C][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][Branch2][Ring1][#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][C][=O][O][C][C][C][C][C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@@H1][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][Ring2][Ring2][C][Ring2][Ring1][=C] |
CC[C@H](C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][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][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][#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][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CCCCOc1ccc2c3cc[n+](Cc4ccccc4)c(/C=C/c4ccc([N+](=O)[O-])cc4)c3n(CCCc3ccccc3)c2c1 | [C][C][C][C][O][C][=C][C][=C][C][=C][C][=N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Branch2][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][Branch2] |
C/C=C\C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[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]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[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(C)(C)C5CC[C@]43C)[C@@H]2CC1(C)C | [C][/C][=C][\C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C][C@][Branch1][C][C][C][=Branch2][Branch2][=N][=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][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][=N][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][C][C][C][Ring2][Branch1][Ring1][C][C][C@][Ring2][Branch1][#Branch1][Ring2][Branch1][N][C][C@@H1][Ring2][=Branch1][Ring2][C][C][Ring2][=Branch1][N][Branch1][C][C][C] |
C=c1[nH]c(O)c(C(C)C)[nH]c(O)c(C(C)CC)[nH]c(=O)c2nc(oc2-c2ccccc2)c2nc(oc2C)c2csc(n2)c2coc(n2)c2coc1n2 | [C][=C][NH1][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][C][Branch1][C][O][=C][Branch1][#Branch1][C][Branch1][C][C][C][C][NH1][C][=Branch1][C][=O][C][N][=C][Branch1][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch1][O][C][=Ring1][Branch1][C][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][O][C][Ring2][Branch1][C][=N][Ring1][Branch1] |
CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CCC3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)C(C)C(=O)O)O3)O2)O1 | [C][C][C@@][Branch2][Ring1][#C][C@@H1][O][C@@H1][Branch2][Ring1][Ring2][C@H1][O][C@@][Branch1][C][O][Branch1][Ring1][C][O][C@H1][Branch1][C][C][C][C@@H1][Ring1][#Branch2][C][C][C@@H1][Ring1][S][C][C][C][C@H1][Branch2][Branch1][C][C@][Branch1][C][C][C][C][C][Branch2][Ring2][Ring2][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][C@@H1][Branch1][C][C][C@@H1][Branch1][Ring1][O][C][C][Branch1][C][C][C][=Branch1][C][=O][O][O][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1][O][Ring2][Ring2][=N] |
CC1=CC(c2ccc(N(C)C)cc2)C(C=O)C=C1 | [C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][Ring1][C][=O][C][=C][Ring1][P] |
CC(=O)NC1SSCC(C(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)C([C@@H](C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC1=O | [C][C][=Branch1][C][=O][N][C][S][S][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][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@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][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][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][=Branch1][=Branch2][=O] |
C#C/C=C/CCCCCCCCCC/C=C\CCCCCC | [C][#C][/C][=C][/C][C][C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C] |
CCC1=NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C([C@H](C)CC)NC(=O)C(NC(=O)C(NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)C(C(C)C)NC1=O | [C][C][C][=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][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][=Branch1][N][C][=Branch1][C][=O][C][Branch2][#Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Branch2][Ring2][=O] |
Cc1ccc(NC(=O)Nc2ccccc2)c(C)c1 | [C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][P] |
CC(C)C(NC(=O)C1CSSC(C)(C)C(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(Cc2ccc(O)cc2)C(=O)N1)C(=O)O | [C][C][Branch1][C][C][C][Branch2][=Branch2][#Branch1][N][C][=Branch1][C][=O][C][C][S][S][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][N][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][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][Ring2][=Branch1][Branch1][C][=Branch1][C][=O][O] |
CC(NC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(N)[C@@H](C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(N)=O | [C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C@@H1][Branch1][C][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][#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][=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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O] |
N=C(N)NCCCC(NC(=O)C(S)Cc1ccccc1)C(=O)O | [N][=C][Branch1][C][N][N][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CC(C)(C)c1cc(C(=O)C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccc(F)c(F)c2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][=Ring2][Ring2][Branch1] |
CCCCOC(=O)[C@@]1(OC(C)=O)CC(OC(C)=O)[C@H](OC(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(C)=O)C1 | [C][C][C][C][O][C][=Branch1][C][=O][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch2][Ring1][N][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][N][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring2][Ring1] |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)Nc5ccccc5CO)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C@@][Ring2][Ring1][#Branch1][Branch1][C][C][C@][Ring2][Ring1][N][Branch1][C][C][C][C][C@H1][Ring2][Ring2][C][C][Ring2][Ring2][=Branch1][Branch1][C][C][C] |
CN(C)CCNC(=O)c1ccc(NCCNCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12 | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][C][N][C][C][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][NH1][C][Ring2][Ring2][#Branch2][=Ring1][=C] |
CC[C@H](C)C1NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C([C@@H](C)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C([C@@H](C)O)NC(=O)C(C(C)C)NC1=O | [C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][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][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][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][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][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@@H1][Branch1][C][C][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][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][#Branch2][C][=O] |
O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCc2ccc(O)cc2C1 | [O][=C][Branch1][=C][N][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][O] |
CC[C@H](C)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)[C@@H](C)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][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][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c23)C1=O | [C][C][Branch1][C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O] |
CO[C@H]1[C@H](O[C@H]2CC[C@]3(C)C4=CC[C@]5(C)[C@@H]([C@H](C)CC[C@H](O)C(C)C)C[C@@H](O)[C@H]5C4=CC[C@H]3C2)OC[C@@H](O)[C@@H]1O | [C][O][C@H1][C@H1][Branch2][Branch1][Branch2][O][C@H1][C][C][C@][Branch1][C][C][C][=C][C][C@][Branch1][C][C][C@@H1][Branch1][S][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C@H1][Ring1][S][C][Ring2][Ring1][Ring2][=C][C][C@H1][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N][O][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][Branch1][O] |
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@@H](O)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@@H](O)[C@H]8O)[C@@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[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][C][C@@H1][Branch2][#Branch1][S][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Branch1][=Branch2][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][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][Ring1][O][C@@H1][Ring2][Ring1][N][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][#Branch1][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][C][C@][Ring2][Branch1][=Branch2][Branch1][C][C][C@H1][Ring2][Branch1][=C][C][C][C@][Ring2][=Branch1][C][Branch1][C][C][C@H1][Ring2][=Branch1][=Branch1][C@@H1][Ring2][=Branch1][O][C] |
CC(C)CC(NC(=O)CN1CCCCC(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C1=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(C)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][=Branch2][O][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Branch2][Branch2][#Branch1][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][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][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][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Ring2][=Branch1][Branch1][=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][C][C][C][=Branch1][C][=O][O] |
O=C(CO)N(CCO)CCO | [O][=C][Branch1][Ring1][C][O][N][Branch1][Ring2][C][C][O][C][C][O] |
C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C([C@@H](O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]1CC3)C(C)C | [C][=C][Branch2][=Branch1][#Branch1][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C][=C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Ring1][=C][Ring1][O][C][C@@][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#C][C][C][Ring2][Ring1][N][C][Branch1][C][C][C] |
CSCCC(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CSCNC(C)=O)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][S][C][N][C][Branch1][C][C][=O][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] |
CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](C[C@H]6O[C@]67[C@@H](O)CCC(=O)[C@]57C)[C@@H]3CC[C@H]24)C1 | [C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Branch2][Branch1][Branch1][C@][Branch1][C][C][O][C][=Branch1][C][=O][C@][C][C][C@H1][C@@H1][Branch2][Ring1][#Branch1][C][C@H1][O][C@][Ring1][Ring1][C@@H1][Branch1][C][O][C][C][C][=Branch1][C][=O][C@][Ring1][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][Branch1][C][Ring2][Ring2][C] |
O=C(c1ccccc1)c1nccc2ccccc12 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CCC1=NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C([C@H](C)CC)NC(=O)C(NC(=O)C(NC(=O)C(CCCNC(=O)c2cc(F)c(F)c(F)c2F)NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)C(C(C)C)NC1=O | [C][C][C][=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][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][#Branch2][C][N][C][=Branch1][C][=O][C][Branch2][=Branch2][Ring1][N][C][=Branch1][C][=O][C][Branch2][Ring1][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][F][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][=Branch2][C][=O] |
CC[C@H](C)C1NC(=O)C(CC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C([C@@H](C)O)NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)C([C@@H](C)O)NC(=O)C(C(C)C)NC1=O | [C][C][C@H1][Branch1][C][C][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][C][=C][C][=C][Ring1][=Branch1][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][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][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][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][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@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][#Branch2][=Branch2][=O] |
O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc(O)cc1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CC(C)C[C@H](O)C(OC(=O)C(Cc1csc(N)n1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)[C@@H](N)CC1CCCCC1 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][Branch2][Branch1][Branch1][O][C][=Branch1][C][=O][C][Branch1][N][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C@@H1][Branch1][C][N][C][C][C][C][C][C][C][Ring1][=Branch1] |
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)C(OC(=O)COc3ccccc3)=C3C(C)[C@@H](OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)C12)C3(C)C | [C][C][=Branch1][C][=O][O][C@@][C][O][C@@H1][Ring1][Ring2][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][S][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][C][C][C@@H1][Branch2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Branch1][C][O][Branch2][Ring1][Branch2][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Branch1][#Branch1][Ring2][Branch1][=C][C][Ring2][Ring2][Branch2][Branch1][C][C][C] |
COc1ccccc1CN=C(N)c1cc2cc(F)ccc2[nH]1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][C][N][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] |
CC[C@H](C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(C)=O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCNC(=N)N)C(N)=O)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch3][Ring1][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][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][Branch2][C][C][C][=Branch1][C][=O][O][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][=Branch2][=N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][O][C][C][C][C][N][C][Branch1][C][C][=O][N][C][=Branch1][C][=O][C][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][N][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][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][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][C][C][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][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
COC(=O)CCCCC(=O)NCC(=O)NC(COCOCCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)(COCOCCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COCOCCOCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring2][C][O][C][O][C][C][O][C][C][O][C][C][O][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][Branch2][Ring2][Ring2][C][O][C][O][C][C][O][C][C][O][C][C][O][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][C][O][C][O][C][C][O][C][C][O][C][C][O][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] |
CN(C(=O)c1ccc2ccccc2c1)C1NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(N)Cc2ccc(C(N)=O)cc2)CSSCC(C(=O)NC(Cc2ccc3ccccc3c2)C(N)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCN)NC1=O | [C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][S][S][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][N][=O][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][C][C][N][N][C][Ring2][=Branch1][N][=O] |
CCCCC(CN(O)C=O)C(=O)N1Cc2ccccc2CC1C(=O)N(C)C | [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C] |
CC[C@H](C)[C@@H]1NC(=O)c2nc(oc2C)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2cncn2C)NC(=O)c2csc1n2 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch1][O][C][=Ring1][Branch1][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C@H1][Branch1][#Branch2][C][C][=C][N][=C][N][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][S][C][Ring2][Ring2][Ring1][=N][Ring1][Branch1] |
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](Cn2cc(COC(=O)c3cccc(C(=O)OCc4cn(C[C@H]5O[C@@H](C6=CC(=O)c7ccccc7C6=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)nn4)c3)nn2)O[C@@H](C2=CC(=O)c3ccccc3C2=O)[C@@H]1OC(C)=O | [C][C][=Branch1][C][=O][O][C@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch2][Branch2][Branch1][C][N][C][=C][Branch2][#Branch1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][=Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][N][Branch2][Branch1][=Branch1][C][C@H1][O][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=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][#Branch2][O][C][Branch1][C][C][=O][N][=N][Ring2][Ring2][Ring2][=C][Ring2][Ring2][=C][N][=N][Ring2][Branch1][#Branch1][O][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C@@H1][Ring2][=Branch1][=C][O][C][Branch1][C][C][=O] |
O=C(O)CCCCCCCCCCCNC(=O)COc1c(-c2cc3ccccc3n2Cc2ccccc2)n(Cc2ccccc2)c2ccccc12 | [O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][S][Ring1][=Branch1] |
CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CCSC)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCN)NC(=O)C(N)CCCNC(=N)N)C(=O)O | [C][S][C][C][C][Branch2][=Branch2][Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][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][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(=O)C1C2CC3CC(C2)CC1C3 | [C][C][Branch1][C][C][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][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1] |
CC(=O)NC1CN(CCCCCCO)C(=O)C(O)C1O | [C][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Ring1][#C][O] |
Oc1[nH]c2ccc(OC(F)(F)F)cc2c1N=NC(=S)NC1CCCCC1 | [O][C][NH1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=Ring1][=C][N][=N][C][=Branch1][C][=S][N][C][C][C][C][C][C][Ring1][=Branch1] |
CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)[C@@]1(C)C(=O)C(=O)C3C(C)[C@@H](OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C | [C][C][=Branch1][C][=O][O][C@@][C][O][C@@H1][Ring1][Ring2][C][C@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S][C@@][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][Branch1][C][C][C@@H1][Branch2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Branch1][C][O][Branch2][Ring1][Branch2][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][=Branch1][#Branch1][Ring2][Ring2][=N][C][Ring2][Ring2][Branch2][Branch1][C][C][C] |
CS(=O)(=O)c1ccc(CNC(=O)O[C@@H]2CC(C(=O)NC(CCCCN)C(=O)c3nc4ccccc4o3)N(C(=O)C(CCc3ccccc3)NC(=O)OCc3ccccc3)C2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][#Branch1][Ring2][C][N][C][=Branch1][C][=O][O][C@@H1][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][#C][C][=C][Ring2][Branch1][#Branch2] |
Cc1cccc(N=C(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)NC2CCCCN(CC(=O)N3CCCC3)C2=O)c1 | [C][C][=C][C][=C][C][Branch2][Branch1][#Branch2][N][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][N][C][C][C][C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][#C][=O][=C][Ring2][Ring2][#Branch2] |
CSCCC(NC(=O)C(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(C)N)[C@@H](C)O)[C@@H](C)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(N)=O | [C][S][C][C][C][Branch2][O][=C][N][C][=Branch1][C][=O][C][Branch2][#Branch2][S][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][=Branch1][C][C][C][C][N][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][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][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][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O] |
C[C@@H](O)C(N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(N)=O | [C][C@@H1][Branch1][C][O][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][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][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][#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][=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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O] |
CC(C)CC1C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)NCC(NC(=O)c2ccc3ccccc3n2)C(=O)N(C)C(CC(C)C)C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)NCC(NC(=O)c2ccc3ccccc3n2)C(=O)N1C | [C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring2][=Branch1][O][C] |
COc1cc2c(cc1OC)CN(CC1=NCCN1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][C][Ring1][S] |
CCCN1CC(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2NCCN(Cc3ccccc3)C2=O)N(C(C)C)C1=O | [C][C][C][N][C][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C@H1][Branch1][C][O][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring2][Branch1][=O] |
Cc1cn([C@H]2C[C@H](O)[C@@H](CSCCCCCCS[C@@H]3O[C@H](COC4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=O | [C][C][=C][N][Branch2][Branch1][S][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch2][Branch1][C][C][S][C][C][C][C][C][C][S][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][O][Ring2][Ring2][Branch1][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][N][=O] |
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCC[18F] | [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][18F] |
Nc1nc(N)nc(SCC(=O)NCc2ccc(F)cc2)n1 | [N][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] |
CC[C@H](C)C(NC(=O)C(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CN)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(CCSC)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][O][=Branch1][N][C][=Branch1][C][=O][C][Branch2][#Branch2][Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][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][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][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][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][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][O] |
CC(C)CC(NC(=O)C(N)CC(=O)NC(=O)c1ccccc1N)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O | [C][C][Branch1][C][C][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Branch1][C][N][=O] |
CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC[C@H]4CCCN4CC(C)C)ncn3)cccc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring2][#C][O][C][=C][C][Branch2][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][C][Branch1][C][C][C][=N][C][=N][Ring2][Ring1][O][C][=C][C][=C][Ring2][Ring2][C][S][Ring2][Ring2][Branch1] |
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch1][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][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C] |
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]3[C@H]2OC(=O)N3C)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H]2OC(=O)O[C@]12C | [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][Ring1][=Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][C@H1][Ring1][#Branch1][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][C@H1][Branch1][C][C][C@@H1][O][C][=Branch1][C][=O][O][C@][Ring2][Branch1][Ring1][Ring1][=Branch1][C] |
C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CO[C@@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]78OC[C@@]9(CCC(C)(C)C[C@H]97)[C@H](O)C[C@@]8(C)[C@]6(C)CC[C@H]5C4(C)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O | [C][C@H1][O][C@@H1][Branch2][=Branch2][O][O][C@H1][C@H1][Branch2][Branch2][=Branch1][O][C@H1][C][O][C@@H1][Branch2][Branch1][P][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@][O][C][C@@][Branch1][S][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C][C@@][Ring1][#C][Branch1][C][C][C@][Ring2][Ring1][Ring2][Branch1][C][C][C][C][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][Branch1][C][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@H1][Ring2][Branch1][Ring1][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][=C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][=Branch1][Branch2][O] |
CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C[C@]23C)O1 | [C][C][Branch1][C][C][Branch1][C][O][C@@H1][C][C][C@@][Branch1][C][C][Branch2][#Branch1][Branch1][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C@@H1][Branch2][Ring2][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][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][C@][Ring2][Ring2][Ring1][Ring2][Ring2][=Branch2][C][O][Ring2][Branch1][Ring1] |
CCCCCCCCO[C@@H]1O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3O)[C@H]2OC(C)=O)[C@H]1O | [C][C][C][C][C][C][C][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][C][C][C][C][C@@H1][Branch2][Branch1][#Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch2][Ring1][=Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@H1][Ring1][N][O][C@H1][Ring2][Ring1][=Branch2][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring2][=N][O] |
CC1CC(=O)C(=O)[C@@]2(C)C1C[C@@H](O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)C(O)C[C@@H]41)[C@H](O)[C@@H]32 | [C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][Ring1][=Branch2][C][C@@H1][Branch1][C][O][C@@][C][O][C@][Branch1][C][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][C][Branch1][C][O][C][C@@H1][Ring1][#Branch2][Ring1][=N][C@H1][Branch1][C][O][C@@H1][Ring1][S][Ring2][Ring1][=Branch1] |
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](Nc5ccnc6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C | [C][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][C][C@H1][Branch2][Ring1][Ring1][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][C@][Ring2][Ring1][C][Branch1][C][C][C@H1][Ring2][Ring1][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Ring2][Ring2][=Branch1][Ring2][Ring2][Ring1][C] |
CC(C)(C)c1cc2c(OCCCCN=C(N)N)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCCN=C(N)N)Cc1cc(C(C)(C)C)cc(c1OCCCCN=C(N)N)Cc1cc(C(C)(C)C)cc(c1OCCCCN=C(N)N)C2 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][N][O][C][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][Ring2][=C][Ring1][#C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][#C][=C][Ring1][#Branch2][O][C][C][C][C][N][=C][Branch1][C][N][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][#C][=C][Ring1][#Branch2][O][C][C][C][C][N][=C][Branch1][C][N][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][#C][=C][Ring1][#Branch2][O][C][C][C][C][N][=C][Branch1][C][N][N][C][Ring2][=Branch1][#Branch2] |
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC | [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][=Branch1][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][=Branch1][C][=O][C][C][C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C] |
C/C=C\C=C\[C@@H]1O[C@](O)(C(C)C(=O)NC/C=C/C=C(\C)C(O)C(C)C2CC(O)C(/C=C/C=C/C=C/C(=O)O)O2)C[C@H](O)C1(C)C | [C][/C][=C][\C][=C][\C@@H1][O][C@][Branch1][C][O][Branch2][Ring2][P][C][Branch1][C][C][C][=Branch1][C][=O][N][C][/C][=C][/C][=C][Branch1][C][\C][C][Branch1][C][O][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][N][/C][=C][/C][=C][/C][=C][/C][=Branch1][C][=O][O][O][Ring1][#C][C][C@H1][Branch1][C][O][C][Ring2][Ring2][=Branch1][Branch1][C][C][C] |
CC(C)CC1NC(=O)C(C)NC(=O)C2CSSCC(NC(=O)CN)C(=O)NC(CSSCC(C(=O)O)NC(=O)C(CC(N)=O)NC1=O)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=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][Ring1][P][C][S][S][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][Ring2][#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][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][Ring2][=Branch1][Branch1] |
CC(C)(C)[C@H]1CC[C@@]2(CCN(c3ccc(OC(F)(F)F)cc3)C(=O)N2Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C@H1][C][C][C@@][Branch2][Branch1][=Branch2][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring2][=Branch1] |
CC(C)CCC[C@@H](COS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][C][=C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C@][Ring1][N][Branch1][C][C][C@H1][Ring1][P][C][C][C@][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1][C] |
C[C@]12CC[C@@H]3c4ccc(OCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc5ccccc5)C(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O | [C][C@][C][C][C@@H1][C][=C][C][=C][Branch2][=Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][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][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][=Branch1][#C][C][C][C@H1][Ring2][#Branch1][Ring1][C@@H1][Ring2][#Branch1][#Branch1][C][C][C@@H1][Ring2][#Branch1][#Branch2][O] |
CCC(=O)C1C[C@@H](C)[C@]2(CC(=O)[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@@H]2CC4)O1 | [C][C][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@][Branch2][O][O][C][C][=Branch1][C][=O][C@@][Branch1][C][C][C][=C][Branch1][=Branch2][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch2][O][O][C@@H1][O][C@H1][Branch2][#Branch1][#Branch1][C][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][Ring1][C][O][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][N][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][Branch1][C][O][C@H1][Ring2][Branch1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][=Branch1][=Branch1][C][C][Ring2][=Branch1][=C][O][Ring2][#Branch1][=Branch2] |
CC(C)CCC[C@@H](COS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C][C@H1][C@@H1][C][C][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@H1][Ring1][S][C][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C] |
Cc1cc(Cl)ccc1C(OCCN1CCCC(C(=O)O)C1)c1ccc(Cl)cc1C | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch2][Ring1][Ring1][O][C][C][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C] |
CCc1nc(CN(C)C(=O)NC(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | [C][C][C][=N][C][Branch2][=Branch1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][N][=C][S][Ring1][Branch1][C][Branch1][C][C][C][=C][S][Ring2][Ring2][#C] |
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN[C@@H]4C2)CCN1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@@H1][C][=C][Branch2][Ring2][Branch1][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][N][C@@H1][Ring1][#Branch2][C][Ring2][Ring2][Ring1][C][C][N][Ring2][Ring1][O][C] |
CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(N)[C@@H](C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCCC(=O)O | [C][C][Branch2][Branch1][#Branch2][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][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C@@H1][Branch1][C][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][#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][=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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O] |
O=C1C=CC[C@H]([C@@H](O)[C@H](Cl)c2ccccc2)O1 | [O][=C][C][=C][C][C@H1][Branch1][P][C@@H1][Branch1][C][O][C@H1][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S] |
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1c[nH]cn1)C(N)=O | [C][C][Branch1][C][C][C][C][Branch2][#Branch1][=N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][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][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1][C][Branch1][C][N][=O] |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=NNc4nc5nc6ccccc6nc5s4)C=C4CCCC[C@]4(C)[C@H]3CC[C@]12C | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][=Branch2][Ring1][=Branch1][=N][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][Ring1][=N][C][=C][C][C][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch2][C][C][C@][Ring2][Ring1][P][Ring2][Ring1][=C][C] |
NC(=S)NN=CCC(=O)c1ccccc1 | [N][C][=Branch1][C][=S][N][N][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=P(O)(O)C(CSc1ncc[nH]1)P(=O)(O)O | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][#Branch2][C][S][C][=N][C][=C][NH1][Ring1][Branch1][P][=Branch1][C][=O][Branch1][C][O][O] |
COc1ccc(COC(=O)/C=C(\CO)OC2OC(COS(=O)(=O)O)C(OC3OC(C(=O)OCc4ccc(OC)cc4)C(OC4OC(COS(=O)(=O)O)C(OC5OC(C(=O)OCc6ccc(OC)cc6)C(OC6OC(COS(=O)(=O)O)C(O)C(O)C6NS(=O)(=O)O)C(O)C5OS(=O)(=O)O)C(O)C4NS(=O)(=O)O)C(O)C3OS(=O)(=O)O)C(O)C2NS(=O)(=O)O)cc1 | [C][O][C][=C][C][=C][Branch2][#C][#Branch1][C][O][C][=Branch1][C][=O][/C][=C][Branch1][Ring1][\C][O][O][C][O][C][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch2][N][=Branch1][O][C][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch2][=Branch2][Branch2][O][C][O][C][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch2][#Branch1][Ring1][O][C][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch2][Ring2][Branch1][O][C][O][C][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][O][C][Ring2][Ring2][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][O][C][Ring2][Branch1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][O][C][Ring2][#Branch1][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][O][C][Ring2][Branch2][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring2][=Branch2][#Branch2] |
CC[C@@H](C)C(NC(=O)C(CCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)NC1C(=O)NC([C@H](C)CC)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)C(=O)N=C(C)C(=O)NC(C(C)C)C(=O)O[C@H]1C | [C][C][C@@H1][Branch1][C][C][C][Branch2][#Branch1][N][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][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][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@H1][Ring2][Ring2][O][C] |
CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C[C@H](O)[C@H](N(C)CCCc2ccncc2)/C=C/[C@H](OC(C)=O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@H]1OC | [C][C][C][=Branch1][C][=O][O][C@@H1][C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][S][N][Branch1][C][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][/C][=C][/C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][Ring2][C][C][=O][C@H1][Branch2][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][O][O][C@H1][Ring2][Branch1][Ring1][O][C] |
CC(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(N)[C@@H](C)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O | [C][C][Branch2][=Branch2][#Branch2][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][#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][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C@@H1][Branch1][C][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][C][=Branch1][C][=O][O] |
COc1ccccc1OP(=O)(NC(C)C(=O)OCc1ccccc1)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][P][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@@][Branch1][Ring2][N][=N+1][=N-1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O] |