molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
---|---|
C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][P][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring1][C][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][N][C][C@@H1][Ring2][Branch1][C][Ring2][Ring2][#C] |
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C | [C][C][Branch1][C][C][=C][C][C][C@][Branch1][C][C][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][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][Branch2][Ring2][Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][S][C][C][C@][Ring2][Ring2][Ring2][Ring2][Ring2][#Branch2][C] |
O=C(C=Cc1ccc(O)cc1)OC[C@@H]1O[C@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2)[C@@H](O)[C@H](O)[C@H]1O | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][C@@H1][O][C@H1][Branch2][Ring2][Branch1][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][N][O] |
N=C(NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCn1cc(-c2ccc(-c3cn(CCCC(=O)N=C(N)NCCCC(NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)cc2)nn1 | [N][=C][Branch2][Branch1][C][N][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][=C][Branch2][#Branch1][Branch1][C][=C][C][=C][Branch2][=Branch1][=Branch2][C][=C][N][Branch2][Branch1][=C][C][C][C][C][=Branch1][C][=O][N][=C][Branch1][C][N][N][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=N][Ring2][Ring2][=N][C][=C][Ring2][Branch1][Ring1][N][=N][Ring2][Branch1][Branch2] |
CC[C@H](C)C(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)O)C(C)C | [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][#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][#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][#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][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2Cn2cc(C3CCCCN3)nn2)[C@H](N)[C@@H](O)[C@@H]1O | [N][C][C@@H1][O][C@H1][Branch2][=Branch1][Branch2][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@H1][Ring1][=Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][O][C@@H1][Ring2][Ring1][N][C][N][C][=C][Branch1][=Branch2][C][C][C][C][C][N][Ring1][=Branch1][N][=N][Ring1][O][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][P][O] |
Cn1c(=O)c2[nH]c3cccnc3c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][Branch1][C][C][C][Ring1][#C][=O] |
O=C(Cc1ccccc1)Nc1cccc(C(=O)CC(=O)C(=O)O)c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=Branch1][C][=O][O][=C][Ring1][=C] |
C=CC1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4O)C[C@H]1C2C(=O)OC | [C][=C][C][C][N][Branch1][C][C][C@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@H1][Branch2][Branch1][Ring2][C][=C][Branch1][Ring1][O][C][C][=C][C][C][=C][Branch1][#Branch1][NH1][C][Ring1][O][=Ring1][Branch1][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@@H1][C][C@H1][Branch1][Ring1][C][C][C@@H1][Ring1][N][N][Branch1][=Branch1][C][C][Ring2][Ring1][Ring1][C][Ring1][#Branch2][O][C][C@H1][Ring2][Ring2][=C][C][Ring2][Ring2][O][C][=Branch1][C][=O][O][C] |
C[C@@H](O)C(NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | [C][C@@H1][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][=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][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][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][O] |
O=C(O)C1NCC[C@@H]1c1cccc(C(F)(F)F)c1 | [O][=C][Branch1][C][O][C][N][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CCCCC(CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 | [C][C][C][C][C][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | [C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O] |
CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@H](OC(C)=O)O[C@@H](C5=CC(=O)OC5O)C[C@H]4[C@]3(C)CC[C@@H]12 | [C][C][=Branch1][C][=O][O][C][C@@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@H1][C][C][C@@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C@@H1][Branch1][N][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][O][C][C@H1][Ring1][P][C@][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][S][Ring2][Ring1][O] |
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CS[C@H]2CCNC2)[C@@H](O)[C@H]1O | [N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][#Branch2][C][S][C@H1][C][C][N][C][Ring1][Branch1][C@@H1][Branch1][C][O][C@H1][Ring1][=N][O] |
C=CC(C)(CC/C=C(\CO)C(=O)O[C@H]1C[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O | [C][=C][C][Branch1][C][C][Branch2][O][=C][C][C][/C][=C][Branch1][Ring1][\C][O][C][=Branch1][C][=O][O][C@H1][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][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@H1][Branch2][Ring2][Ring2][C][O][C@@H1][O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@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][Ring1][C][C][C@][Ring2][Branch1][#Branch1][Ring2][Branch1][N][C][C@@H1][Ring2][=Branch1][Branch1][C][C][Ring2][=Branch1][=Branch2][Branch1][C][C][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] |
CCC(C)(C)C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C | [C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][C][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C@][Ring1][S][Branch1][C][C][C@H1][Ring2][Ring1][#Branch2][C][C][C@][Ring2][Ring1][P][Ring2][Ring1][=C][C] |
C=C(C)[C@@H]1CC[C@]2(C(=O)N[C@H]3CCCc4ccccc43)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring1][C][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][N][C][C@@H1][Ring2][Ring2][P][Ring2][Ring2][=C] |
CC(=O)N[C@H]1[C@@H](O[C@H](C)C(N)C(=O)NC(C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | [C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch2][=Branch2][#Branch2][O][C@H1][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch2][Branch2][Ring1][C][=Branch1][C][=O][N][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][=Branch1][C][=O][N][C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][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][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring2][=Branch1][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] |
N=C(N)NCCCC(N)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O | [N][=C][Branch1][C][N][N][C][C][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][#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][#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][#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][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=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)O | [C][C][Branch1][C][C][C][Branch2][O][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][=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][O] |
COc1cc(/C=C/OC(=O)C2CCC(N(C)C3CCC(C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Branch1][=N][/C][=C][/O][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring2][#Branch2][N][Branch1][C][C][C][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch2][O][C] |
O=C(COc1ccc(F)cc1)NC1CCOC1=O | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][O][C][Ring1][Branch1][=O] |
COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)c(OC)c(OC)c3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Branch2][=N][C][=C][O][C][=C][C][Branch2][=Branch1][P][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][=Branch2][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C@H1][Ring2][Ring2][=Branch2][O][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring2][Branch1][Branch1][C][Ring2][Branch1][=Branch2][=O][C][=C][Ring2][Branch1][S] |
O=C(O)C(=O)CC(=O)c1cccc(NC(=O)c2ccc(O)cc2)c1 | [O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][S] |
O=[N+]([O-])c1ccc(-c2nnc(N3CCS(=O)(=O)CC3)s2)o1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][#C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][S][Ring1][=N][O][Ring2][Ring1][C] |
CCNC(=S)N=Nc1c(O)[nH]c2ccc(C)cc12 | [C][C][N][C][=Branch1][C][=S][N][=N][C][=C][Branch1][C][O][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][O][Ring1][#Branch1] |
CCC1=NC(=O)C(Cc2ccccc2Cl)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(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][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][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][O][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][#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][#Branch1][=O] |
C=C(C)[C@@H]1CC[C@]2(C(=O)NCc3ccc(C(=O)O)cn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring1][C][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][N][C][C@@H1][Ring2][Ring2][P][Ring2][Ring2][=C] |
O=C(N[C@@H]1CCOC1)c1cccc(-n2ncc3cc(OS(=O)(=O)O)ccc32)c1 | [O][=C][Branch1][=Branch2][N][C@@H1][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][N][=C][C][=C][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][O][Ring1][=C][=C][Ring2][Ring1][Ring2] |
CC(COS(=O)(=O)O)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCN)CC[C@]4(C)[C@H]3CC[C@]12C | [C][C][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C@H1][Branch1][C][O][C][C@H1][C][C@@H1][Branch1][O][N][C][C][C][N][C][C][C][C][N][C][C][C@][Ring1][S][Branch1][C][C][C@H1][Ring2][Ring1][=Branch1][C][C][C@][Ring2][Ring1][=N][Ring2][Ring1][#Branch2][C] |
COc1ccc2c(c1)CN(C1CC(c3ccc(Cl)cc3Cl)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch2][Ring2][S][C][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][N][Ring1][=N][C][N][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][O][C][=Ring1][#C][C][C][C][Ring2][Ring2][Ring2] |
CC(C)CC(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccccc1)[C@@H](C)O)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][O][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][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][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][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][S][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][=Branch1][C][=O][C][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][Branch1][=Branch1][C][C][C][C][N][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][O] |
CCN(C(=O)c1cccc(C(=O)O)n1)C1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 | [C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][=Branch2][C][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=Ring1][=Branch2][Ring1][S] |
COc1ccc2c(O[C@@H]3CC(C(=O)NC4(CC(=O)NS(=O)(=O)c5ccccc5)CC4)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C3)cc(-c3ccccc3)nc2c1 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][N][O][C@@H1][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Ring2][Ring2][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Branch1][Ring1][=C][Ring2][Branch1][#Branch1] |
COc1ccc2nccc([C@@H](O)CNCCCN(C)CCOc3cc(F)cc(F)c3)c2c1 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring1][#C][C@@H1][Branch1][C][O][C][N][C][C][C][N][Branch1][C][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
[O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(CC4/C=C\CCCCN4[C@H]12)C3 | [O-1][N+1][=C][C][=C][C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][=N][C][=C][C@@][Branch1][C][O][C][C][/C][=C][\C][C][C][C][N][C][C][C@@H1][Ring1][S][C@][Branch2][Ring1][C][C][C][/C][=C][\C][C][C][C][N][Ring1][Branch2][C@H1][Ring1][O][Ring2][Ring1][=Branch2][C][Ring1][S] |
COC(=O)NC(C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(N1CCN(Cc2ccccc2C)C1=O)C(C)(C)C)C(C)(C)C | [C][O][C][=Branch1][C][=O][N][C][Branch2][#Branch1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C] |
CC(=O)OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O | [C][C][=Branch1][C][=O][O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][Ring1][=O] |
O=C(CC(=O)Nc1cccc(C(=O)O)c1)NCCCNCc1ccc(-c2ccccc2)c(Cl)c1 | [O][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N][C][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=N] |
CNCCNc1c(O)cc2c(O)c1C=C(C)C[C@H](OC)[C@H](OC(=O)CN)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)N2 | [C][N][C][C][N][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Branch1][C][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][N][C@@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Branch1][Ring1][O][C][C][=C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring2][=Branch1] |
CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(N)CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][=Branch1][Ring1][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][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][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][#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] |
CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(=O)CCCCCCCCC(=O)O[C@H]1c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)C4C(=O)OC[C@@H]41)OCO5)[C@@H]32 | [C][C][C@][C][=C][C][N][C][C][C@@][Branch2][Branch2][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Branch1][C][C][C@H1][Ring1][N][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][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][C][C][=Branch1][C][=O][O][C][C@@H1][Ring1][=Branch1][Ring2][Ring1][#Branch2][O][C][O][Ring2][Ring1][#Branch2][C@@H1][Ring2][=Branch1][C][Ring2][=Branch1][=Branch1] |
CC(=O)OC[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4C(=O)C[C@@H](C)[C@@H](OC(C)=O)[C@@]4(COC(C)=O)O5)c(O)c3C(=O)C1C(=O)C[C@@H](C)[C@H]2OC(C)=O | [C][C][=Branch1][C][=O][O][C][C@][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring1][N][Branch1][Branch2][C][O][C][Branch1][C][C][=O][O][Ring2][Ring1][Branch2][C][Branch1][C][O][=C][Ring2][Ring2][C][C][=Branch1][C][=O][C][Ring2][Ring2][#Branch1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C@H1][Ring2][Ring2][=N][O][C][Branch1][C][C][=O] |
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc2cc(O)cc(O)c12 | [O][=C][C][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][Branch2][Ring1][P][C][=C][C][=C][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][=C][Ring2][Ring1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Branch1][Ring1][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(CCC(N)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCCNC(C)=O)NC(=O)C(CC(=O)O)NC(=O)C(CO)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(=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][C][S][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][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][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][#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][=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] |
CC(C)CC(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccc(OP(=O)(O)O)cc1)NC(=O)CC(O)CNC(=O)c1cc(N=C=S)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)NC(CO)C(N)=O | [C][C][Branch1][C][C][C][C][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring2][N][=C][=S][=C][C][=C][Ring1][=Branch2][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][C][=O][N][C][Branch1][Ring1][C][O][C][Branch1][C][N][=O] |
CC(=O)OC1C(=O)C2[C@]34CO[C@@H](O)[C@](C)([C@@H]3C[C@@H](O)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]13C)[C@H](OC(C)=O)C[C@@H]4O | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][C@][C][O][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch2][Ring2][=Branch1][C@@H1][Ring1][Branch2][C][C@@H1][Branch1][C][O][C@@][Ring1][=N][Branch1][C][C][C@@][O][C@@H1][Ring1][Ring1][C][C@@H1][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C@][Ring2][Ring1][N][Ring1][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][Ring2][Ring1][S][O] |
O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccccc1)SS/C(=N/c1ccccc1)OCCN1C(=O)c2ccccc2C1=O | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][O][/C][=Branch1][#Branch2][=N][\C][=C][C][=C][C][=C][Ring1][=Branch1][S][S][/C][=Branch1][#Branch2][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
CCCC[C@H](NC(=O)C(Cc1ccccc1)NC(=O)C1CCCc2ccccc21)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1 | [C][C][C][C][C@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][B][O][C@@H1][C][C@@H1][C][C@@H1][Branch1][Branch2][C][Ring1][Ring2][Branch1][C][C][C][C@][Ring1][=Branch2][Branch1][C][C][O][Ring1][=N] |
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncnc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1] |
COc1cc(O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c4c2c1[C@@]1(C4)C(C)=CCCC1(C)C)[C@H](O)[C@@]1(O)CC(=O)C(C(N)=O)C(=O)[C@@]1(O)C3=O | [C][O][C][=C][C][Branch1][C][O][=C][C][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][C][=Branch2][Ring1][=C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1][C@@][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][=C][C][C][C][Ring1][Branch2][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][Branch1][C][O][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@@][Ring1][N][Branch1][C][O][C][Ring2][Ring1][#C][=O] |
Cc1c(-c2cccc(OCCCCCC(=O)O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F | [C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][N][O][C][C][C][C][C][C][=Branch1][C][=O][O][=C][Ring1][#C][F][C][=Branch1][C][=O][N][Branch1][=C][C][C@H1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][P][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CC(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@@H]2[C@@H](OC(C)=O)[C@]34O[C@@]3(C)C(=O)O[C@H]4/C=C(/C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)[C@H]1OC(C)=O | [C][C][=Branch1][C][=O][O][C@@H1][C@@H1][O][C@][Ring1][Ring1][Branch1][C][C][C@@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][O][C@@][Ring1][Ring1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][Branch2][/C][=C][Branch1][C][/C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring2][Ring1][=N][Branch1][C][C][C@H1][Ring2][Ring2][Ring2][O][C][Branch1][C][C][=O] |
CCOc1ccccc1C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][N][Ring1][=N][C][C][C][N][Ring2][Ring1][Ring2] |
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)[C@@](C)(Cl)[C@H](C)Cl)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][C@@H1][Branch2][Ring2][#Branch1][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][Cl][C@H1][Branch1][C][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Branch1][C][O][Branch2][Ring2][S][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][O][C@@H1][Ring1][Branch2][C][C@H1][Branch1][C][O][C@@][Ring1][=N][Branch1][C][C][C][Ring2][Branch1][=Branch1][=O][C][Ring2][Branch1][#Branch1][Branch1][C][C][C] |
C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](CCCCCCCCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=CC41)O2 | [C][=C][Branch1][C][C][C@][C][C@@H1][Branch1][C][C][C@@][O][C@][Branch1][S][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch2][Ring2][#Branch2][O][C@@H1][Ring2][Ring1][Branch2][C@@H1][Ring2][Ring1][Branch1][C@@H1][O][C@][Ring1][Ring1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][Ring2][Ring2][Ring2][Ring1][Branch2][O][Ring2][Ring2][=Branch2] |
C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)C(C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O | [C][=C][/C][=C][\C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][C][/C][Branch1][C][C][=C][\C@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][/C][=C][\C@H1][Branch2][Ring1][=Branch2][C][C@@H1][O][C][=Branch1][C][=O][C][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][N][C][O][C][Branch1][C][C][=O] |
COc1ccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2ccc(OC)cc2)OCCN2C(=O)c3ccccc3C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Branch1][S][/N][=C][Branch2][Ring1][Branch1][\O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][S][/C][=Branch1][=C][=N][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring2][S] |
CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCC(=O)CCCC[C@@H](O)CC2=C[C@H](C)OC2=O)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][C][C@H1][Branch1][C][O][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][C@@H1][Branch1][C][O][C][C][=C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O][O][Ring2][Ring1][N] |
O=C(O[C@H]1C(O)O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(=O)c4oc(O)c5c(c(O)c(=O)c6oc(O)c3c4c56)-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@@H]1O)c1cc(O)c(O)c(O)c1 | [O][=C][Branch2][Branch2][=N][O][C@H1][C][Branch1][C][O][O][C@@H1][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][O][C][Branch1][C][O][=C][C][=Branch2][Ring1][O][=C][Branch1][C][O][C][=Branch1][C][=O][C][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][C][=Ring1][S][C][Ring1][=N][=Ring1][#Branch1][C][=C][Branch1][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=Branch1][C][=O][O][C@H1][Ring2][Ring2][P][C@@H1][Ring2][Branch1][=Branch1][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2] |
CCCCOc1ccc2c3cc[n+](Cc4ccccc4)c(/C=C/c4ccc(OC)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][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][#Branch1][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1] |
CCC(C)C(O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@@]21C | [C][C][C][Branch1][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C@][Branch1][C][C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C@H1][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][Branch1][=C][C][C@H1][Ring1][=Branch1][C@H1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][C][Ring1][=Branch2][C@@][Ring2][Ring1][Ring1][Ring2][Ring2][C][C] |
Cc1nc2c(=O)[nH]c1CCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)NC(CCCCN)C(=O)NCCCC2 | [C][C][N][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][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][=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][C][C][C][Ring2][Ring2][S] |
CNCc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 | [C][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CC(C)CC(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccccc1)[C@@H](C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][O][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][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][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][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][S][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][=Branch1][C][=O][C][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][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][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O] |
Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C@@][C][C][C@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C@@H1][Ring2][Ring1][=Branch2][O][C][=Branch1][C][=O][C@@][C][C][C@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] |
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Branch1][N][N][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring2][#Branch1] |
Fc1cccc(-c2nn[nH]n2)c1 | [F][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O] |
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(CNc5cccc([N+](=O)[O-])c5)nn3)[C@H]3COC(=O)C23)OCO4)cc(OC)c1O | [C][O][C][=C][C][Branch2][Branch1][#C][C@@H1][C][=C][C][=C][Branch2][Ring2][P][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][N][N][C][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=N][Ring1][S][C@H1][C][O][C][=Branch1][C][=O][C][Ring2][Ring1][=C][Ring1][=Branch1][O][C][O][Ring2][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2][O] |
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(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(F)cc1)C(=O)N1CCCC1C(=O)NC(CS)C(=O)NC(CC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][#Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=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][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][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@@H]6[C@@H]([C@](C)(O)C(O)/C=C/C(C)(C)O)CC[C@@]6(C)[C@]5(C)[C@@H](O)C[C@H]4C3(C)C)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][#Branch1][O][O][C@H1][C@H1][Branch2][=Branch1][=Branch1][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@@H1][C@@H1][Branch2][Ring1][=Branch1][C@][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][/C][=C][/C][Branch1][C][C][Branch1][C][C][O][C][C][C@@][Ring1][S][Branch1][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][Ring2][Ring1][N][C][Ring2][Ring1][S][Branch1][C][C][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][N][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][=Branch1][O] |
CN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccc(N)nc7)n6)CC5)cc4)nc3n2)CC1 | [C][N][C][C][N][Branch2][=Branch1][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][C][Branch2][Ring1][Branch1][C][=N][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][=N][Ring1][N][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][=N][C][Ring2][Ring2][Branch1][=N][Ring2][Ring2][=Branch2][C][C][Ring2][Ring2][#C] |
CC(C)CC(NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccc(OP(=O)(O)O)cc1)NC(=O)C(CC(C)C)NC(=O)CCCCNC(=O)c1cc(N=C=S)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)NC(CO)C(N)=O | [C][C][Branch1][C][C][C][C][Branch2][=Branch2][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring2][N][=C][=S][=C][C][=C][Ring1][=Branch2][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][C][=O][N][C][Branch1][Ring1][C][O][C][Branch1][C][N][=O] |
COc1ccc(S(=O)(=O)N(C[C@@H]2CCC(=O)N2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)cc1 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][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@@H1][C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][Ring1][Branch2][C][=C][Ring2][Ring2][Branch2] |
Oc1ccccc1-c1cc[nH]n1 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][NH1][N][=Ring1][Branch1] |
CSCCC(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC(=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(CCCN=C(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][#Branch1][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][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] |
CC(C)c1sc(-c2ccccc2)c(C2CCCCC2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O | [C][C][Branch1][C][C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][P][/C][=C][/C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O] |
c1cc(-c2nn[nH]n2)c2[nH]ncc2c1 | [C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=C] |
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)ccc1O | [C][O][C][=C][C][Branch2][=Branch1][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O][=C][C][=C][Ring2][Ring2][N][O] |
O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2c(F)cccc21 | [O][=C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] |
Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O[C@@H]4C)[C@@H](O)C[C@@H]5C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C)C(=O)O[C@@H]2C)c(N)c1=O | [C][C][=C][O][C][=C][Branch1][C][C][C][=C][C][Branch2][=Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring2][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][O][C@@H1][Ring2][Ring1][=N][C][C@@H1][Branch1][C][O][C][C@@H1][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][=N][N][=C][Ring2][Ring2][P][C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][=C][C][=C][Branch1][C][N][C][Ring2][#Branch1][Branch2][=O] |
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][#Branch1][=N][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring2][=Branch2][C][C][C@][Ring2][Ring2][=N][Ring2][Branch1][C][C][C@@H1][Ring2][Branch1][O][Ring2][Branch1][Branch2] |
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(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCC(N)=O)C(C)(C)S)[C@@H](C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CS)C(=O)NC(CC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][#Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=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][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] |
O=C(C1CCCN1C(=O)N1CCOCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 | [O][=C][Branch2][Ring1][Ring2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][Branch2][Ring2][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][=N] |
CC(C)C(N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(C(=O)N2CCCC2C(=O)NCc2ccccc2C(=O)O)c1 | [C][C][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring2][C] |
CCOC(=O)CCC[C@@H]1C[C@H]2C[C@](/C=C/c3ccccc3)(Oc3cc4c(c(O)c32)C(=O)C[C@H](c2ccccc2)O4)O1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C@@H1][C][C@H1][C][C@][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring2][Branch1][O][C][=C][C][=C][Branch1][O][C][Branch1][C][O][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][O][Ring2][Ring1][P] |
CCCCC(NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)N1C[C@@H](NC(=N)N)CC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NCC(N)=O | [C][C][C][C][C][Branch2][Ring2][=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][O][C][=C][Ring1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][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][C@@H1][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][C][Ring1][=Branch2][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][=O][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][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O] |
CC(NC(=O)C(C)NC(=O)C(CCC(=O)O)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(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O | [C][C][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][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][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][=O][O] |
CC(C)(F)CC(N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1CN(C(=O)Nc2ccccc2)CC1=O | [C][C][Branch1][C][C][Branch1][C][F][C][C][Branch2][Ring2][O][N][C@@H1][Branch2][Ring1][=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][C][=C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=O] |
CC(C)[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](OS(=O)(=O)O)C[C@@H]3[C@@H](O)C[C@]12O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O | [C][C][Branch1][C][C][C@H1][Branch2][Branch1][=Branch2][/C][=C][/C@@H1][Branch1][C][C][C@H1][C][C@@H1][Branch1][C][O][C@@H1][C@][Ring1][=Branch1][Branch1][C][C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C@@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@][Ring1][P][Ring2][Ring1][=Branch1][O][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O] |
CC(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccc(C)cc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O] |
COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@@H](C)N[C@@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][C][N][Branch2][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][S][C][N][C][C@@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring2][Branch2] |
COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=C][Branch1][P][O][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][#Branch1][Ring1][S][C@H1][Branch1][Ring1][C][Br][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][NH1][Ring1][#C] |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC(C(=O)O)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@](C)(C=O)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](C)[C@@H]2O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O | [C][C@@H1][O][C@@H1][Branch2][=C][Ring1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch2][=N][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring2][Ring1][Ring2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@][Branch1][C][C][Branch1][Ring1][C][=O][C@@H1][Ring2][Ring2][O][C][C][C@@][Ring2][Ring2][#C][Branch1][C][C][C@][Ring2][Branch1][Ring2][Branch1][C][C][C][C][Ring2][Branch1][#C][O][C@H1][Branch1][C][C][C@@H1][Ring2][=Branch1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][S][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring1][P][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][O][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch2][S][O] |
O=C(O)c1ccc(-c2ccccn2)nc1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N] |
CCOC(=O)c1cnc2c(cnn2CC)c1NC1CCOCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Branch2][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][O][N][C][C][C][O][C][C][Ring1][=Branch1] |
C/C=C(\C)C(=O)O[C@@H]1C(COC(=O)c2ccccc2NC(=O)c2ccccc2N)=CC2C(=O)[C@]3(C=C(C)[C@H](OC(C)=O)[C@@]13O)[C@H](C)C[C@@H]1[C@H]2C1(C)C | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][C][=Branch1][C][=O][C@][Branch2][Ring1][=Branch1][C][=C][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring2][Ring2][Ring2][Ring1][#Branch2][O][C@H1][Branch1][C][C][C][C@@H1][C@H1][Ring2][Ring1][Ring1][C][Ring1][Ring1][Branch1][C][C][C] |
CC(C)CC(NC(=O)C(CO)NC(=O)C(CO)NC(=O)CNC(=O)c1ccccc1N)C(=O)NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O | [C][C][Branch1][C][C][C][C][Branch2][Ring2][=Branch2][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][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][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] |
N=C(N)N1CCC[C@H]1Cc1nc(-c2ccc(Nc3nc(-c4cccc(F)c4)cs3)cc2)no1 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Ring1][Branch1][C][C][=N][C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][Branch2] |