molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
Nc1nc2ccccc2n1CCc1ccccc1 | [N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O | [C][C@@H1][O][C@@H1][Branch2][=Branch1][P][O][C@H1][C@H1][Branch2][Branch1][S][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#C][Ring2][Ring1][Ring2][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][O][O][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch2][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][Branch1][=C][O] |
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(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)CCCC(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][N][N][C][=Branch1][C][=O][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][Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][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][#Branch1][=O] |
CSCCNC(=O)NS(=O)(=O)c1cccc(Cl)c1 | [C][S][C][C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
O=C1N=C(NCC2CCCO2)N=C1Cc1c[nH]c2ncccc12 | [O][=C][N][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][=C][Ring1][N][C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
O=C(Nc1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(CN4CCCC4)c3)n2)c1)c1c(F)cccc1F | [O][=C][Branch2][Branch1][#Branch2][N][C][=C][C][=C][C][Branch2][Ring2][=N][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][=N][Ring2][Ring1][Ring1][=C][Ring2][Ring2][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
C[C@@H](O)C(NC(=O)C(CC(N)=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)O | [C][C@@H1][Branch1][C][O][C][Branch2][=Branch2][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][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][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][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][O] |
C=C1C[C@@]23C[C@H](O)[C@]4(O)[C@@]5(C)C[C@H](O)C[C@@]46[C@@H]2[C@H](OC(=O)/C(C)=C/C)[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@H]3[C@H]6N(C)C5 | [C][=C][C][C@@][C][C@H1][Branch1][C][O][C@][Branch1][C][O][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C][C@@][Ring1][=Branch2][C@@H1][Ring1][=C][C@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][C@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][C@@H1][Ring2][Ring1][P][C@H1][Ring2][Ring1][S][C@H1][Ring2][Ring1][Branch1][N][Branch1][C][C][C][Ring2][Ring1][=C] |
CC(=O)c1sc(NC(=O)Nc2ccc(C)cc2C)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=Ring1][P][C] |
C=C1[C@@H]2C[C@@H](OC(C)=O)[C@H]3[C@@]45CO[C@@](O)(C(=O)[C@@H]4C(C)(C)CC[C@@H]5OC(C)=O)[C@]3(C2)[C@@H]1OC(C)=O | [C][=C][C@@H1][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][C@@][C][O][C@@][Branch1][C][O][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C@@H1][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring1][=C][O][C][Branch1][C][C][=O][C@][Ring2][Ring1][Ring2][Branch1][Branch1][C][Ring2][Ring1][N][C@@H1][Ring2][Ring1][=C][O][C][Branch1][C][C][=O] |
[O-][S+]1c2ccccc2SN1C1CC1 | [O-1][S+1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][N][Ring1][=Branch2][C][C][C][Ring1][Ring1] |
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccc(OCCCCOCCCCOCCCCOc2ccc(C#C[C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)cc2)cc1 | [C][C@][C][C][C@@H1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C@H1][Ring1][O][C@@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch2][Branch1][S][O][C][C][C][C][O][C][C][C][C][O][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][C][=C][Ring2][Branch1][C] |
CC(=O)N(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCSc1c2c(nc3ccccc13)CCCC2 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][C][C][S][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N] |
CC[C@H](C)C(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(=O)CCl)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C][Branch1][C][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][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch2][O][=C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Ring1][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][Branch2][#Branch1][Ring1][C][=Branch1][C][=O][N][C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][C][Cl][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O] |
CC(C)CC1NC(=O)C(CCCCN)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)C2CSSCC(NC1=O)C(=O)NC(Cc1c[nH]cn1)C(=O)N1C[C@H](O)CC1C(=O)NC(C(=O)O)CSSCC(NC(=O)C(NC(=O)CNC(=O)C(N)CC(N)=O)C(C)C)C(=O)N2 | [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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][S][S][C][C][Branch1][#Branch1][N][C][Ring2][Ring2][Branch1][=O][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][S][S][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Branch1][=C] |
CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@@H]([C@@H](O)CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O1 | [C][C][C][C][C][C][C][C][C][C][C][C][C@H1][Branch1][C][O][C@@H1][C][C][C@@H1][Branch2][Ring2][Ring2][C@@H1][Branch1][C][O][C][C][C][C][C][Branch1][C][O][C][C][C][C][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2][O][Ring2][Ring1][N] |
COc1ccccc1OC(CCN(C)CC(=O)O)c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=N][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=C(CCl)Nc1cn(COC(CO)CO)c(=O)[nH]c1=O | [O][=C][Branch1][Ring1][C][Cl][N][C][=C][N][Branch1][#Branch2][C][O][C][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][NH1][C][Ring1][=C][=O] |
CCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
Cc1nc2c(s1)Cc1cccc(OCP(=O)(O)O)c1-2 | [C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][N][Ring1][S] |
O=C1NC(Cc2ccccc2)C(=O)N2CCCC2C(=O)NC(Cc2ccccc2)C(=O)NC1Cc1c[nH]c2ccccc12 | [O][=C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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][N][C][Ring2][Ring1][S][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
C=C1[C@H](OC(=O)c2ccccc2)C(OC(C)=O)C(=O)C(C)(C)C=CC(C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O | [C][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][C][=Branch1][C][=O][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][=C][C@H1][Ring2][Ring2][#Branch2][O][C][Branch1][C][C][=O] |
C/C=C/C(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)c4ccccc4)[C@@]3(C)C1=O)C2(C)C | [C][/C][=C][/C][=Branch1][C][=O][O][C][=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][Branch1][=N][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][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C][Ring2][Branch1][=C][=O][C][Ring2][Branch1][#C][Branch1][C][C][C] |
CC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1O)C2O | [C][C][C][N][C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][N][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring2][Ring1][Ring1][O] |
COc1cc(C=C2S/C(=N\c3ccccc3)N(C(C)C(=O)NC(Cc3ccc(O)cc3)C(N)=O)C2=O)cc(OC)c1O | [C][O][C][=C][C][Branch2][Branch1][=Branch1][C][=C][S][/C][=Branch1][#Branch2][=N][\C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][C][Ring2][Ring1][=N][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O] |
CO[C@]1(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6O[C@H](CO)[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@@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]2[C@@H]1C | [C][O][C@][Branch1][=Branch2][C][C][C@@H1][Branch1][C][C][C][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Branch1][N][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][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][C][C@][Ring2][Ring2][#Branch1][Branch1][C][C][C@H1][Ring2][Ring2][N][C][C][C@][Ring2][Ring2][S][Branch1][C][C][C@H1][Ring2][Branch1][Ring2][C@@H1][Ring2][Branch1][=N][C] |
CO/C(C)=C1/NC(=O)C([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)N4CCN(CC(=O)N(C)C)CC4)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)C(O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2 | [C][O][/C][Branch1][C][C][=C][/N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N][=C][S][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C@@H1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][O][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][O][C@H1][C][C@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Branch1][C][C][O][Ring1][N][C@@H1][Branch1][=Branch1][O][C][Ring2][Ring1][=C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Ring2][#Branch1][O][=N][Ring1][Branch1][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Ring2][Branch1][Branch1] |
COc1cc2c(O[C@@H]3OC[C@](O)(CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 | [C][O][C][=C][C][=C][Branch2][Ring2][S][O][C@@H1][O][C][C@][Branch1][C][O][Branch2][Ring1][C][C][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][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][=C][Branch2][Ring1][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring2][O][C][=C][Ring2][Ring2][#C][O][C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch1] |
CCc1ccc(Cc2n[nH]c(=O)n2C)c(F)c1Oc1cc(Cl)cc(C#N)c1 | [C][C][C][=C][C][=C][Branch1][=N][C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Branch1][C][F][=C][Ring1][#C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2] |
CC[C@H](C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C1CCCCNC(=O)CC(NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(N)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)N1)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(CCCN=C(N)N)C(=O)NCC(N)=O)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch3][Ring1][Ring2][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][Branch2][=C][Branch1][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][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][=Branch2][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][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][Branch2][Ring2][=N][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][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][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][O][Ring1][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][S][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][=O][N][C][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
NC(=NO)c1cc[n+](C/C=C/C[n+]2ccc(C=NO)cc2)cc1 | [N][C][=Branch1][Ring1][=N][O][C][=C][C][=N+1][Branch2][Ring1][C][C][/C][=C][/C][N+1][=C][C][=C][Branch1][Ring2][C][=N][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
Clc1cccc2nn(NC3=NCCN3)cc12 | [Cl][C][=C][C][=C][C][=N][N][Branch1][=Branch2][N][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][#C][Ring1][O] |
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)C=Cc2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O | [C][C@@H1][O][C@@H1][Branch2][Branch1][O][O][C][C@H1][O][C@@H1][Branch2][Ring1][C][O][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][#Branch2][O] |
CCOCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C | [C][C][O][C][C][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][=Branch1][C] |
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(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)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][=Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][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][Ring2][Branch2][P][=O] |
COC(=O)C1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)[C@@H](OC(=O)/C=C(/C)CCC=C(C)C)[C@H](OC(=O)c7ccccc7)[C@]6(CO)[C@H](O)[C@H](O)[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O | [C][O][C][=Branch1][C][=O][C][O][C@@H1][Branch2][Branch2][Branch2][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][Branch1][C][/C][C][C][C][=C][Branch1][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Ring2][Ring1][=N][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@][Ring2][Ring2][Branch1][Branch1][C][C][C@][Ring2][Ring2][#Branch2][Branch1][C][C][C][C][C@H1][Ring2][Ring2][S][C][Ring2][Branch1][Ring2][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][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][=Branch1][=N][O][C@@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O] |
O=C1c2c(c3c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccc[nH]1 | [O][=C][C][C][=Branch2][Branch1][N][=C][C][C][=C][C][Branch1][C][O][=C][C][=Ring1][#Branch1][N][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][=Branch1][=C][NH1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Ring2][Ring2][C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring2][Ring2][=Branch1][N][C][C][=C][C][=C][NH1][Ring1][Branch1] |
CNC(=S)[C@]1(c2ccc(-c3ccccc3)cc2)CCCC[S+]1[O-] | [C][N][C][=Branch1][C][=S][C@][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][C][C][S+1][Ring2][Ring1][C][O-1] |
CN1[C@H](CCCc2ccccc2)CC[C@@H]1CCCc1ccccc1 | [C][N][C@H1][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Ring1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)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][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][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][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O] |
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(CCCN)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][=Branch2][N][C][=Branch1][C][=O][C][Branch2][#Branch1][#Branch2][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][Branch1][Branch1][C][C][C][N][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][#Branch1][=O] |
C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@](C)(O)C(=O)O)C(C)(C)[C@@H]1CC3)C(C)C(=O)O | [C][=C][Branch2][=Branch1][=Branch2][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C][=C][Branch1][N][C][C@H1][Branch1][C][O][C@][Ring1][O][Ring1][Branch2][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][N][C][Branch1][C][C][C][=Branch1][C][=O][O] |
C=C(C)c1cc(CN2CCCC2=O)c(O)o1 | [C][=C][Branch1][C][C][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][=C][Branch1][C][O][O][Ring1][=N] |
CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC(c2ccccc2)C2CCN(Cc3cccnc3)CC2)CC1 | [C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][C][N][Branch2][Ring1][P][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][N] |
C[C@]12C(=O)C[C@@H](O)C=C1C=C[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)C(CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4 | [C][C@][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][=C][Ring1][Branch2][C][=C][C@@H1][C@@H1][Ring1][N][C][C][C@][Branch1][C][O][C][=Branch1][C][=O][O][C@@][Branch1][C][C][C@H1][C][C@][Branch1][C][C][C][Branch2][Ring1][Ring2][C][O][C@@][Ring2][Ring1][Ring1][O][C@@][Ring1][N][Ring1][P][C@H1][Ring1][=Branch2][C][Ring1][Branch1][=O][C][=Branch1][C][=O][O][Ring1][S] |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=NNC(=S)NC4CCCC4)C=C4C[C@@H](Cl)CC[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][=Branch1][#C][=N][N][C][=Branch1][C][=S][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][C@@H1][Branch1][C][Cl][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring2][Ring1][=Branch1][C][C][C@][Ring2][Ring1][=N][Ring2][Ring1][#Branch2][C] |
CC(N)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NCCCCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C)N)C(N)=O | [C][C][Branch1][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][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][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][=N][C][C][=C][C][=C][Branch1][C][O][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][=Branch1][C][C][C][C][N][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][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][N][#C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][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][=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][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][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][N][=O] |
CCCCCC(C=O)NC(=O)OC(C)(C)C | [C][C][C][C][C][C][Branch1][Ring1][C][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
COc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3OC)[nH]c12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][C][C][=Branch1][C][=O][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][NH1][C][=Ring1][=C][Ring2][Ring1][Ring1] |
CCn1c(Sc2ccc(Nc3c(C#N)cnc4cc(OCCCN5CCCC5)c(OC)cc34)cc2Cl)nc(C)c1C | [C][C][N][C][Branch2][Branch1][Ring2][S][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][#Branch1][Ring1][P][C][=C][Ring2][Ring1][=C][Cl][=N][C][Branch1][C][C][=C][Ring2][Ring2][=Branch1][C] |
CCCCn1c(C)cc2cc(=O)cc3oc(C)cc1c23 | [C][C][C][C][N][C][Branch1][C][C][=C][C][=C][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][C][=C][C][Ring1][#C][=C][Ring1][N][Ring1][#Branch1] |
COc1ccc2c(c1OC)[C@H](CC1=C[C@@H]3[C@@H](CC1)[C@](C)(OC)CC[C@H]3C(C)C)N(C)c1c-2ccc2cc3c(cc12)OCO3 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C@H1][Branch2][Ring1][=C][C][C][=C][C@@H1][C@@H1][Branch1][Branch1][C][C][Ring1][=Branch1][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C][C@H1][Ring1][O][C][Branch1][C][C][C][N][Branch1][C][C][C][=C][Ring2][Ring1][O][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring1][#Branch1] |
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CSCCC(N)C(=O)O)[C@@H](O)[C@H]1O | [N][C][=N][C][Branch1][C][F][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][=C][C][S][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Ring1][#C][O] |
CC[C@H](C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCN)NC(=O)C(N)CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Branch1][=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][=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][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][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][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CN1CC[C@]2(c3cccc4c3C[C@H]3N(C)CC[C@@]45[C@@H]4Nc6c([C@]78CCN(C)[C@H]7Nc7ccccc78)cccc6[C@]35CCN4C)c3ccccc3N[C@H]12 | [C][N][C][C][C@][Branch2][=Branch1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][N][Branch1][C][C][C][C][C@@][Ring1][=Branch2][C@@H1][N][C][=C][Branch2][Ring1][=Branch1][C@][C][C][N][Branch1][C][C][C@H1][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][Ring2][Ring1][Ring1][C@][Ring2][Ring1][N][Ring2][Ring1][#Branch1][C][C][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][Ring2][Branch1][Ring1][Ring2][Ring2][S] |
CCCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 | [C][C][C][C][C][C][C][=C][C][=C][Branch1][P][C][N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=C][Ring1][S] |
CC(C)C(NC(=O)OCc1cnccn1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 | [C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][N][=C][C][=N][Ring1][=Branch1][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] |
Nc1ncnc2c1nc(Br)n2CCc1ccccc1 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][C][Br][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@@]3(C)[C@]4(O)CC[C@]3(O)[C@H](C)O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1 | [C][O][C@H1][C][C@H1][Branch2][=Branch1][Branch1][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Branch1][Branch1][=C][C][C@][Branch1][C][O][C@@H1][Ring1][Branch2][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][O][C@H1][Branch1][C][C][O][C][Ring2][Ring2][Ring2][O][C@H1][Branch1][C][C][C@H1][Ring2][Ring2][N][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch2][Branch1][=C][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch2][Ring2][#Branch2][O][C@@H1][O][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@H1][Ring2][Ring1][Branch1][O][C@@H1][Branch1][C][C][O][Ring2][Ring1][S][C@@H1][Branch1][C][C][O][Ring2][Ring2][#Branch2] |
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)C(C)C(=O)Nc1cc(/C=C\c2cc(OC)c3c(c2)OCO3)ccc1OC)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][=Branch1][Ring2][C@@H1][Branch2][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C@H1][Branch1][Ring1][O][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=Branch1][/C][=C][\C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][C][C][C][C][Branch1][C][C][C] |
CC(C)Sc1oc(C(=O)O)c(-c2ccc(Cl)cc2)c1C#N | [C][C][Branch1][C][C][S][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#C][C][#N] |
CC(NC(=O)C(CCCCN)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)NCC(=O)O | [C][C][Branch2][#Branch2][#Branch1][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][#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][C][=Branch1][C][=O][O] |
COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@@H]3C3=CCC5[C@@]6(C)C[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(CO)CC4)O[C@@H]2C)cc1OC | [C][O][C][=C][C][=C][Branch2][N][P][/C][=C][/C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Branch1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring2][=Branch1][O][C@@H1][O][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][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][=N][O][C@H1][Branch2][#Branch1][=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][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][Branch1][C][O][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][Branch2][C][C][C@@][Ring2][Ring1][N][Branch1][C][C][C@][Ring2][Ring1][P][Branch1][Ring1][C][O][C][C][Ring2][Ring2][=N][O][C@@H1][Ring2][#Branch1][=Branch1][C][C][=C][Ring2][Branch2][C][O][C] |
O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][P][C][C][C][C][O][C][C][C][C][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2][=C][Ring2][Ring1][=C] |
CCN(CCCCCCn1c(=O)c2cc3c(=O)n(CCCCCCN(CC)Cc4ccccc4OC)c(=O)c3cc2c1=O)Cc1ccccc1OC | [C][C][N][Branch2][Branch1][#C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][Ring2][Ring1][P][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] |
CC[C@H](C)C(OC(=O)C(NC(=O)C(C)O)C(C)C)C(=O)NC(C(=O)OC(C)C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C)C(=O)NC(C(=O)OC(CC(C)C)C(=O)NC(C(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][=Branch2][Ring2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][#Branch1][=N][C][=Branch1][C][=O][O][C][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C][Branch2][Branch1][S][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
C=C[C@@H]1C[C@]1(NC(=O)C1C[C@@H]2CN1C(=O)C(C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1O[C@H]1C[C@H]3CC[C@@H](C1)N3CCOC)O2)C(=O)NS(=O)(=O)C1(C)CC1 | [C][=C][C@@H1][C][C@][Ring1][Ring1][Branch2][#Branch1][Ring2][N][C][=Branch1][C][=O][C][C][C@@H1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][C][C][C][=C][Branch2][Ring1][S][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C@H1][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][O][C][O][Ring2][Ring2][=C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2] |
COc1cc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring2][#Branch1][C][N][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S] |
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC4 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@@H1][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][Ring2][Ring1][S][N][Branch1][C][C][C][C][Ring2][Ring2][Branch1][N][Branch1][C][C][C][C][Ring2][Ring1][N] |
CN(C)c1ccc(NC(=O)c2cc(NC(=O)c3ccc(C(=O)c4ccc(C(=O)Nc5cc(C(=O)Nc6ccc(N(C)C)cc6)n(C)c5)cc4)cc3)cn2C)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][#Branch1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Branch1][C][C][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][O][C][=C][Ring2][Ring2][Ring1][=C][N][Ring2][Ring2][O][C][C][=C][Ring2][Branch1][Branch1] |
CC(C)CC1NC(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)C(Cc2ccc(O)cc2)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][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][=Branch1][C][=O][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][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][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][Ring2][#Branch1][N][=O] |
Cc1ccc(O)c2c1C(=O)CC2 | [C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Ring1][=Branch1] |
CC[C@H](C)C1NC(=O)CCNC(=O)C([C@@H](C)CC)N(C)C(=O)C(CC(C)C)NC(=O)CCNC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)COC)C(C)C)[C@@H](C)OC(=O)C([C@@H](C)CC)N(C)C(=O)C(CC(C)C)NC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O | [C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][C][C][C][Ring2][#Branch1][=C][=O] |
CCNc1nc(Nc2ccccc2)c2cnn(C)c2n1 | [C][C][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring1][P] |
CN(C)CCOc1cc2nc(N3CCN(c4cc(O)c5ccccc5c4O)CC3)nc(N)c2cc1OCCN(C)C | [C][N][Branch1][C][C][C][C][O][C][=C][C][=N][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][O][C][C][Ring2][Ring1][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][O][C][C][N][Branch1][C][C][C] |
COc1ccc(-c2cn3c(c2-c2cc(OC)c(OC)c(OC)c2)-c2cc(OC)c(OC(C)C)cc2CC3)cc1OC(C)C | [C][O][C][=C][C][=C][Branch2][Branch1][Branch2][C][=C][N][C][=Branch2][Ring1][Branch2][=C][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][N][C][C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Branch1][O][C][Branch1][C][C][C] |
Cc1cn([C@@H]2O[C@@]3(COP(O)(=S)O[C@H]4[C@H]5OC[C@]4(CO)O[C@H]5n4cc(C)c(N)nc4=O)CO[C@@H]2[C@@H]3OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(O)(=S)OC[C@@]23CO[C@@H]([C@H](n4cc(C)c(=O)[nH]c4=O)O2)[C@@H]3OP(O)(=S)OC[C@@]23CO[C@@H]([C@H](n4ccc(N)nc4=O)O2)[C@@H]3O)c(=O)nc1N | [C][C][=C][N][Branch3][Ring1][P][P][C@@H1][O][C@@][Branch2][Ring2][=Branch2][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@H1][O][C][C@][Ring1][Branch1][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch2][N][C][=C][Branch1][C][C][C][Branch1][C][N][=N][C][Ring1][Branch2][=O][C][O][C@@H1][Ring2][Ring1][=C][C@@H1][Ring2][Ring1][=N][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][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][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][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][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][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][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@@][C][O][C@@H1][Branch2][Ring1][=Branch1][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][Ring1][#C][C@@H1][Ring1][S][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@@][C][O][C@@H1][Branch2][Ring1][Ring1][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][Ring1][=C][C@@H1][Ring1][#C][O][C][=Branch1][C][=O][N][=C][Ring3][Ring1][Ring2][Branch2][N] |
C=CC1=C(C)c2cc3nc(c4c5[nH]c(cc6[nH]c(cc1n2)c(C)c6CC)c(C)c5C(=O)C4)C(CCC(=O)NC(C(=O)NC(CO)C(=O)NCC(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCNOC(=O)CCCN(C)c1ccc(/N=N/c2cccc4nc5ccc(N(CC)CC)cc5[n+](-c5ccccc5)c24)cc1)C(N)=O)[C@@H](C)O)[C@@H]3C | [C][=C][C][=C][Branch1][C][C][C][=C][C][=N][C][=Branch2][Ring2][#C][=C][C][NH1][C][Branch2][Ring1][Branch2][C][=C][NH1][C][=Branch1][=Branch2][=C][C][Ring2][Ring1][C][=N][Ring1][S][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][C][Branch2][=N][=N][C][C][C][=Branch1][C][=O][N][C][Branch2][N][=N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][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][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch2][=Branch1][=Branch2][C][C][C][C][N][O][C][=Branch1][C][=O][C][C][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][N][/N][=N][/C][=C][C][=C][C][=N][C][=C][C][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][N+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][P][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C@@H1][Ring2][#Branch2][=N][C] |
O=C(Nc1cc(Cl)ccc1O)c1ccc(F)cc1 | [O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F | [N][C@@H1][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] |
O=C(C(O)c1ccc(-c2ccc(C(O)C(=O)S(=O)(=O)O)cc2)cc1)S(=O)(=O)O | [O][=C][Branch2][Ring2][O][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][Branch1][C][O][C][=Branch1][C][=O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1c[n+](c2ccccc21)Cc1ccc(cc1)C(=O)c1ccc2c(c1)c1cc(ccc1n2CC)C(=O)c1ccc(cc1)C[n+]1cn(c2ccccc21)Cc1ccc(cc1)C3=O | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N+1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N+1][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Ring2][=Branch1][=N][=O] |
Nc1ccccc1NC(=O)c1ccc(CNC(=O)CCCCC(=O)NCCCNCCCCNCCC(c2ccccc2)c2ccccc2)cc1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch2] |
CCNC1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 | [C][C][N][C][N][N][=C][Branch2][Ring1][O][C][C][=C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][N][Ring1][#C][Ring1][N][S][Ring2][Ring1][Branch1] |
CCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2cc(C(F)(F)F)ccc21 | [C][C][N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][O] |
CC[C@@H]1C[C@]1(NC(=O)C1C[C@@H]2CN1C(=O)C(C1CCCCC1)Nc1nc(cs1)CCC/C=C/c1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1 | [C][C][C@@H1][C][C@][Ring1][Ring1][Branch2][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@@H1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][Ring2][C][Ring1][Branch1][C][=Branch1][C][=O][O][Ring2][Ring2][Ring1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] |
N#Cc1cccc(S(=O)(=O)N2C[C@H](n3cncn3)CC2C(=O)NC(Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)O)c1 | [N][#C][C][=C][C][=C][C][Branch2][=Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P][C][=Branch1][C][=O][O][=C][Ring2][Ring2][N] |
COc1cccc(C(=O)O[C@H]2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)C(C)NC(=O)c4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)[C@@]3(C)C(=O)C(OC(C)=O)=C3C(C)[C@@H](OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)C[C@]2(O)C3(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][N][Ring2][C][=Branch1][C][=O][O][C@H1][C@@H1][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][O][C@@H1][Ring1][Branch2][C][C@H1][Branch2][Branch1][N][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][S][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch2][C@@][Ring2][Ring2][=N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][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@][Ring2][=Branch1][P][Branch1][C][O][C][Ring2][Ring1][=N][Branch1][C][C][C][=C][Ring2][#Branch1][=C] |
COc1ccc(C2=NN(Cc3ccc(CN4CCC(=O)CC4)cc3)C(=O)C3CC=CC[C@H]23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=N][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][C][C][C][=C][C][C@H1][Ring2][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][S][O][C] |
CC[C@H](C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(N)CC(=O)O)C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][#Branch2][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][C][C][C][N][Ring1][Branch1][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][S][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][#Branch1][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][C][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][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][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2)C=CN1c1ccccc1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Oc1ccc(-c2c3nc(c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4ccc([nH]4)c(-c4ccc(O)cc4)c4nc2C=C4)C=C3)cc1 | [O][C][=C][C][=C][Branch2][#Branch1][Ring1][C][=C][N][=C][Branch2][=Branch1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][N][=C][Ring2][Ring2][=Branch2][C][=C][Ring1][Branch1][C][=C][Ring2][Ring2][N][C][=C][Ring2][Branch1][Ring1] |
CCCCN=C1C(=O)c2c(F)c(F)c(NCCCC)c(F)c2C(=O)C1F | [C][C][C][C][N][=C][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][=Branch1][N][C][C][C][C][C][Branch1][C][F][=C][Ring1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][F] |
CC[C@H](C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)CNC(=O)C2CCCN2C(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC1=O | [C][C][C@H1][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][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][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][N][=O] |
Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3 | [C][C][=C][Branch1][C][O][C][=C][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Ring1][N][=Ring1][#Branch1][C][C][C][C][Ring1][#Branch2] |
C=C[C@](C)(CC/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@](C)(C=C)CC/C=C(\CO)C(=O)O[C@H]2C[C@]3(C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H](O)C[C@]4(C)C(=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]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[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)[C@@H]6CC[C@]54C)[C@@H]3CC2(C)C)O[C@@H]1C)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O | [C][=C][C@][Branch1][C][C][Branch3][Ring1][C][=N][C][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][S][=C][O][C@][Branch1][C][C][Branch1][Ring1][C][=C][C][C][/C][=C][Branch1][Ring1][\C][O][C][=Branch1][C][=O][O][C@H1][C][C@][Branch2][=Branch1][#C][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@@H1][O][C@@H1][Branch1][C][C][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][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][=N][O][C@H1][Branch1][C][O][C][C@][Branch1][C][C][C][=Branch2][Branch2][#Branch2][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][=Branch1][Branch2][O][C@@H1][O][C@H1][Branch2][Ring1][P][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][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][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@@H1][Ring2][Branch1][C][C][C][C@][Ring2][Branch1][=Branch1][Ring2][Branch1][O][C][C@@H1][Ring2][Branch2][=N][C][C][Ring2][Branch2][P][Branch1][C][C][C][O][C@@H1][Ring2][#Branch2][=Branch2][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] |
CC(C)CC(NC(=O)CNC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)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][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][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][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] |
COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1 | [C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][C][Ring1][=Branch1] |
O=c1cc(-c2ccc(OCCOCCOCCOCCOCCOc3ccc(-c4cc(O)c5ccccc5c4)cc3)cc2)oc2ccccc12 | [O][=C][C][=C][Branch2][Branch1][=Branch2][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][C][=C][Ring1][P][C][=C][Ring2][Ring2][#Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring2][P][Ring1][=Branch1] |
COc1cccc(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)n[nH]c32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][N][=N][NH1][C][=Ring1][=Branch1][Ring1][P][=C][Ring2][Ring1][#Branch1] |
Subsets and Splits