molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
Cc1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1 | [C][C][=C][C][=C][C][Branch2][#Branch1][P][N][=N][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Branch1][P][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][O][N][=N][C][=C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C][C][=C][C][Ring2][Ring2][=Branch2][=C][Ring2][Ring2][P][O][=C][Ring2][Branch1][#Branch2] |
CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCCN=C(N)N)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)C | [C][C][Branch1][C][C][C][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch2][#Branch1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][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][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][O][C][Branch1][C][C][C] |
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccccc6C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 | [C][C][Branch1][C][C][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][=Branch2][Ring2][P][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][S][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring2][C][C][C@][Ring2][Ring1][Branch2][Ring2][Ring1][=N][C][C@@H1][Ring2][Ring2][Branch1][C][Ring2][Ring2][#Branch2] |
COC(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1 | [C][O][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring2][Branch1][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Ring2][Ring1][#Branch2] |
O=C(Cn1nc(C2CCC(F)(F)CC2)c2cnccc2c1=O)NC1Cc2ccccc2C1 | [O][=C][Branch2][Ring2][C][C][N][N][=C][Branch1][#C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] |
CC[C@H](C)C(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring2][P][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][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch3][Ring1][=N][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch3][Ring1][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][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][N][#C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][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][=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][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][Branch2][Ring2][=C][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][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O] |
CC1(C)CC(=O)C2C(=Nc3c(O)cccc3N(C(=O)c3cccc(F)n3)C2c2ccc(OCc3ccccc3)cc2F)C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][=Branch2][Branch1][Branch2][=N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][F][C][Ring2][Ring2][#Branch2] |
CC(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O)c1ccccc1)C(=O)NC(C(N)=O)C(C)C | [C][C][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][Branch2][Branch1][O][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][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CN(CC/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCCC2 | [C][N][Branch2][Ring1][#Branch1][C][C][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][Ring1][#Branch1] |
CC1(C)CCC[C@]2(C)C(=CCc3ccoc3)C(C=O)C(=O)C(=O)C12 | [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=Branch1][#Branch2][=C][C][C][C][=C][O][C][=Ring1][Branch1][C][Branch1][Ring1][C][=O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] |
CC(C)=CN1Cc2c(C)ccc3[nH]c(=O)n(c23)C[C@@H]1C | [C][C][Branch1][C][C][=C][N][C][C][=C][Branch1][C][C][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Ring1][O][=Ring1][=Branch1][C][C@@H1][Ring1][#C][C] |
CCCCN(C)CC1C[C@@]1(C(=O)OCC)c1ccccc1 | [C][C][C][C][N][Branch1][C][C][C][C][C][C@@][Ring1][Ring1][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Nn1c(CS(=O)(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1 | [N][N][C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCCNCc1cc(OC)c(O)c(OC)c1 | [C][C][C][C][N][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][O] |
CCN1CCN(c2nc(Nc3ccccc3)nc(N3CCN(CCNc4ccnc5cc(Cl)ccc45)CC3)n2)CC1 | [C][C][N][C][C][N][Branch2][Branch1][Branch2][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][P][C][C][Ring2][Ring2][#Branch1] |
CNc1ncnc2c1ncn2[C@@H]1OC[C@@H](O)[C@H]1O | [C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][O] |
Cc1ccc(Nc2nc3ccc(C(=N)NC(C)C)cc3s2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=N][N][C][Branch1][C][C][C][C][=C][Ring1][N][S][Ring1][#C][N][=C][Ring2][Ring1][=Branch1] |
COC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(C(=O)N(c2ccccc2)c2ccccc2)cc1C | [C][O][C][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C] |
CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)CC(O)CC(Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
COc1cc2ncnc(N(C)c3cccc(Cl)c3)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch1][S][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C] |
CC1CC2C3Cc4ccc(O)c5c4C2(CCN3CC2CCC2)C(O5)C1=O | [C][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][O][Branch1][=N][C][C][N][Ring1][=N][C][C][C][C][C][Ring1][Ring2][C][Branch1][Ring2][O][Ring1][=N][C][Ring2][Ring1][Branch2][=O] |
CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(C(N)=O)C(C)C | [C][C][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
O=C(O)C1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | [O][=C][Branch1][C][O][C][O][C@@H1][Branch2][Branch1][N][O][C@H1][C@H1][Branch2][Ring2][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][Ring1][#C][=C][Ring2][Ring1][Ring2][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][Branch2][O] |
COc1cccc(OCCO[N+](=O)[O-])c1C(=O)O[C@@H](CNC(C)(C)C)COc1nsnc1N1CCOCC1 | [C][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][O][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][C][=Branch1][C][=O][O][C@@H1][Branch1][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][O][C][=N][S][N][=C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1] |
CC(=N)Nc1ccc(F)cc1 | [C][C][=Branch1][C][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CC[C@H](C)C(NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)NC(C(=O)NC(COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)co1)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][Branch1][C][=C][O][C][Branch1][N][C][Branch1][Ring1][C][Br][Branch1][Ring1][O][C][O][C][=N][Ring1][N][O][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=N][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=S][=C][O][Ring1][Branch2][=C][O][Ring1][=N][C][Branch1][C][C][C] |
CO[C@H]1[C@H](OC[C@@H]2O[C@@H](O[C@@H](CC[C@@H](C)[C@H]3C[C@@H](O)[C@@H]4[C@]3(C)CC[C@H]3[C@@]4(O)C[C@H](O)C4C[C@@H](O)CC[C@@]43C)C(C)C)[C@H](O)[C@H]2O)OC[C@@H](O)[C@@H]1O | [C][O][C@H1][C@H1][Branch2][=Branch1][O][O][C][C@@H1][O][C@@H1][Branch2][Branch1][#Branch2][O][C@@H1][Branch2][Ring2][S][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@@][Ring1][#Branch1][Branch1][C][O][C][C@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C][C][C@@][Ring1][#Branch1][Ring1][=N][C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch1][O][O][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][S][O] |
CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3C(C(=O)O[C@H](C)CCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)N=C(N4)N65)[C@H](C)N=C(N1)N23 | [C][C][C][C][C][C][C][C][C][C@@H1][C][C@@H1][C][C][C@H1][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][C][C][C][C][C@@H1][C][C@@H1][C][C][C@@H1][C][C@H1][Branch1][C][C][N][=C][Branch1][Ring2][N][Ring1][N][N][Ring1][Branch2][Ring1][O][C@H1][Branch1][C][C][N][=C][Branch1][Branch1][N][Ring2][Ring2][Ring1][N][Ring2][Ring2][C][Ring2][Ring1][#C] |
CC[n+]1ccc2c(c1)[nH]c1ccc(Cl)cc12 | [C][C][N+1][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O] |
C=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](OC(=O)C(OC)[C@@H](C)CC)CC[C@]2(C)[C@@H]1Cc1c(OC)oc(C)c(C)c1=O | [C][=C][C][C][C@H1][C@][Branch1][C][C][Branch1][=Branch2][C][C][C][=C][Branch1][C][C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C][C][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C@@H1][Ring2][Ring1][N][C][C][=C][Branch1][Ring1][O][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][#Branch2][=O] |
O=C(CC(S)C(F)(F)F)NC(Cc1ccc(O)cc1)C(=O)O | [O][=C][Branch1][=C][C][C][Branch1][C][S][C][Branch1][C][F][Branch1][C][F][F][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CC1(C)CC[C@]2(C(=O)O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1 | [C][C][Branch1][C][C][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][=C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][=Branch1][C][=O][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@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Ring1][#Branch1][C@H1][Branch1][C][O][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C@@H1][Ring2][Branch1][C][C][Ring2][Branch1][#Branch1] |
CCCCCCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)NC(C(=O)NC1C(=O)NC([C@H](C)CC)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)C(=O)N=C(CC)C(=O)NC(C(C)C)C(=O)O[C@H]1C)[C@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)C(C)C | [C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch2][N][Ring2][C][=Branch1][C][=O][N][C][Branch2][O][=Branch1][C][=Branch1][C][=O][N][C][Branch2][#Branch2][Branch2][C][=Branch1][C][=O][N][C][Branch2][=Branch2][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Branch2][#Branch1][Ring2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@H1][Ring2][Ring2][N][C][C@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CC[C@H](C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C([C@@H](C)CC)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CO)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][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@@H1][Branch1][C][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][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][Ring2][#Branch1][P][=O] |
[2H]C([2H])([2H])C(O)(CCC[C@H](C/C=C\C(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)CCC[C@]12C)C([2H])([2H])[2H] | [2H][C][Branch1][C][2H][Branch1][C][2H][C][Branch1][C][O][Branch2][=Branch1][Ring2][C][C][C][C@H1][Branch2][Ring1][#Branch2][C][/C][=C][\C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C@H1][C][C][C@H1][/C][=Branch2][Ring1][C][=C][/C][=C][/C][C@@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C][Ring1][Branch2][=C][C][C][C][C@][Ring2][Ring1][Ring2][Ring1][P][C][C][Branch1][C][2H][Branch1][C][2H][2H] |
CC[C@H](C)C(NC(=O)C(N)CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCSC)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][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][S][P][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][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][=C][=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][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][Branch2][=Branch2][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][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][=O][O][C][=Branch1][C][=O][N][C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][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][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C] |
O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Cl)c4F)c(F)c3)nc2c1 | [O][=C][Branch1][C][O][C][C][=C][C][=C][O][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][Branch1][C][F][=C][Ring2][Ring1][Ring2][=N][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
O=C(O)c1cccc(Cc2cc(Cl)ccc2OCC2CCCCC2)n1 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
O=c1[nH]c(CNCCc2cccc(O)c2)nc2c1sc1ccc(Cl)cc12 | [O][=C][NH1][C][Branch1][S][C][N][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][C][=C][Ring1][P][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
COc1ccc(C=C2SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][S][C][=Branch1][C][=N][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1][O][C] |
C/C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H]3OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)C(C)C)[C@@H](O)[C@H](O)[C@H]4O[C@H](O[C@H]2C)[C@@H]3OC(=O)C(C)[C@H](C)O)O[C@@H]1C | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Branch2][Ring2][O][C@@H1][C@H1][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C@H1][Branch1][=Branch1][C][C][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][C@@H1][O][C@H1][Branch1][N][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#C][O][C@H1][Branch1][#Branch1][O][C@H1][Ring2][Branch1][C][C][C@@H1][Ring2][Branch1][Ring1][O][C][=Branch1][C][=O][C][Branch1][C][C][C@H1][Branch1][C][C][O][O][C@@H1][Ring2][=Branch1][Branch1][C] |
CCCN(c1ccncc1)n1cc(CC)c2ccccc21 | [C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][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(CCCNC(=O)C(F)(F)F)NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC[C@@H](C)CC)C(C)C)[C@@H](C)OC(=O)C(F)(F)F)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][Ring1][N][C][=Branch1][C][=O][C][Branch2][=Branch2][Ring2][N][C][=Branch1][C][=O][C][Branch1][P][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C][Branch2][Branch1][Branch1][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@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][=Branch2][C][=O] |
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](SCCCCCSCCCOCCC[Si](CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)(CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)CCC[Si](CCC[Si](CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)(CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)(CCC[Si](CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)(CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)CCC[Si](CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)(CCCOCCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)CCCOCCSCCCCCS[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)(C(=O)O)C[C@@H]1O | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][C@@][Branch3][Ring2][#Branch2][Ring2][S][C][C][C][C][C][S][C][C][C][O][C][C][C][Si][Branch2][Branch1][=Branch1][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][Branch2][Branch1][=Branch1][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C][C][C][Si][Branch2][N][#Branch2][C][C][C][Si][Branch2][Branch1][=Branch1][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][Branch2][Branch1][=Branch1][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][Branch2][N][#Branch2][C][C][C][Si][Branch2][Branch1][=Branch1][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][Branch2][Branch1][=Branch1][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C][C][C][Si][Branch2][Branch1][=Branch1][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][Branch2][Branch1][=Branch1][C][C][C][O][C][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][C][C][C][O][C][C][S][C][C][C][C][C][S][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][O][Ring2][Ring1][Ring2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring3][Ring1][N][Ring1][O] |
O=C(CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 | [O][=C][Branch2][Ring1][P][C][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][N][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC[C@H](C)[C@@H]1NC(=O)C(N2CN(C)C(CC(C)C)C2=O)[C@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)C[C@@H]1O | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][=O][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C@@H1][Ring2][Branch1][#C][O] |
CC[C@H](C)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1cnc[nH]1)[C@@H](C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O | [C][C][C@H1][Branch1][C][C][C][Branch2][#Branch2][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][#C][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C@@H1][Branch1][C][C][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][#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][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][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] |
CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCCN5CCN(c6ccccc6)CC5)cc34)ccc2s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#C][N][C][=N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2][=C][C][=C][Ring2][Ring2][Ring1][S][Ring2][Ring2][=Branch1] |
CCC1=NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C([C@H](C)CC)NC(=O)C(NC(=O)C(NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC(C)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)C(C(C)C)NC1=O | [C][C][C][=N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][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][#C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][C][=O][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] |
OCCO[P+]1(OCCO)n2c3ccc2/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=c2/cc/c(n21)=C(\c1ccccc1)C1=NC(=C3c2ccccc2)C=C1 | [O][C][C][O][P+1][Branch1][Branch1][O][C][C][O][N][C][=C][C][=C][Ring1][Branch1][/C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][/C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][/C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][/C][=C][/C][Branch1][#Branch1][N][Ring1][Branch1][Ring2][Ring2][C][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Branch1][=N][=C][Ring2][Ring2][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CC1=C[C@@H]([C@@H](O)[C@@H](C)[C@H]2CC=C3[C@@H]4CC[C@H]5C(C)(C)O[C@@H]6CC(=O)O[C@@]65C[C@@]4(O)CC[C@@]32C)OC1=O | [C][C][=C][C@@H1][Branch2][Branch1][=Branch1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][C][C][=C][C@@H1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][O][C@@H1][C][C][=Branch1][C][=O][O][C@@][Ring1][=Branch1][Ring1][O][C][C@@][Ring1][S][Branch1][C][O][C][C][C@@][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2][C][O][C][Ring2][Ring2][C][=O] |
Cc1cc(NCC2CCN(CC3CCCCC3)C2)nc(Nc2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][N] |
COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(Cl)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=N][C][C][Ring2][Ring2][=Branch2] |
CSCCC1NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C2CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSCC(N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)N2)NC(=O)C(CSSCC(C(=O)O)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC3=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC1=O | [C][S][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][S][S][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][=N][C][S][S][C][C][Branch1][C][N][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][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][Ring2][=Branch1][N][N][C][=Branch1][C][=O][C][Branch2][Branch1][P][C][S][S][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][Ring2][=Branch2][Ring1][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][Ring2][N][N][=O] |
CC(C)CC(NC(=O)CNC(=O)C(C)NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)CNC(=O)C(N)CCCCN)C(C)C)C(=O)NC(C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C | [C][C][Branch1][C][C][C][C][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CC[C@H](C)C(NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch3][Ring1][=N][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch3][Ring1][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][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][N][#C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][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][=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][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][Branch2][Ring2][=C][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][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O] |
COc1cccc2c1CC[C@@H](N(C)C)[C@H]2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][=Branch2][C] |
COc1cccc(C(=O)O[C@H]2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C3C(C)[C@@H](OC(=O)C(O)C(NC(=O)OC(C)(C)C)C(F)F)C[C@]2(O)C3(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Branch2][=Branch1][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][Branch1][C][O][C@@][Ring1][=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][Ring1][S][O][C][=Branch1][C][=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][F][F][C][C@][Ring2][Ring2][=N][Branch1][C][O][C][Ring2][Ring1][=Branch2][Branch1][C][C][C][=C][Ring2][Branch1][#Branch2] |
CC[C@H](C)C(C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(CCSC)C(=O)N(C)C(C(=O)N(C)CC(N)=O)C(C)C)N(C)C(C)=O | [C][C][C@H1][Branch1][C][C][C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][C][N][Branch1][C][C][C][Branch1][C][C][=O] |
C=CCNC(=O)C(=O)C(CCCC)NC(=O)C1C2[C@H](CN1C(=O)C(NC(=O)N[C@@H](CN1C(=O)CCN(C)C1=O)C(C)(C)C)C(C)(C)C)C2(C)C | [C][=C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch2][Branch1][=Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][Ring1][Branch2][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][#C][Branch1][C][C][C] |
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5cc(F)c(F)cc5F)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][Branch1][=C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][=Branch1][Branch1][=C][Ring2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@@H1][Ring2][Ring2][N][N][Branch1][C][C][C][C][Ring2][Ring2][P][N][Branch1][C][C][C][C][Ring2][Ring2][Branch2] |
COC1[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@H](COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(N)nc3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2COP(=O)(S)O[C@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2CO)[C@H]1OP(=O)(S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OP(=O)(S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OP(=O)(S)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1OP(=O)(S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OP(=O)(S)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C[C@@H]1OP(=O)(S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1OP(=O)(S)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1OP(=O)(S)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O | [C][O][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][O][C@H1][Branch3][Ring1][Branch1][=Branch1][C][O][P][=Branch1][C][=O][Branch1][C][S][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][Branch1][C][N][=N][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][S][O][C@H1][C][C@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][C@@H1][Ring1][#C][C][O][P][=Branch1][C][=O][Branch1][C][S][O][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][S][C][O][P][=Branch1][C][=O][Branch1][C][S][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][S][O][C@H1][C][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][C@@H1][Ring1][=N][C][O][P][=Branch1][C][=O][Branch1][C][S][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][S][O][C@H1][C][C@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][C@@H1][Ring1][#C][C][O][P][=Branch1][C][=O][Branch1][C][S][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][=Branch1][C][=O][Branch1][C][S][O][C@H1][C][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][C@@H1][Ring1][=N][C][O][C@H1][Ring2][=C][Branch2][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][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][C@@H1][Ring1][=N][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][C@@H1][Ring1][=N][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][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][C@@H1][Ring1][S][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] |
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[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][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][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][Ring1][Ring2][C][C][C@][Ring2][Ring1][Branch2][Ring2][Ring1][=N][C][C@@H1][Ring2][Ring2][Branch2][Ring2][Ring2][Branch1] |
COC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(C=C(F)F)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c3cccc(N=[N+]=[N-])c3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C | [C][O][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][C@@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][#Branch1][C][=C][Branch1][C][F][F][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@@][Branch1][C][O][Branch2][Branch1][=Branch1][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][N][=N+1][=N-1][=C][Ring1][=Branch2][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] |
Cc1ccccc1OCCCN1CCN(CC(c2ccc(F)cc2)N2CCN(C(C)C)CC2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][N][Branch2][Ring1][#C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][C][Ring2][Ring1][Branch2] |
CCOC(=O)/C=C/C(=O)N(CC(N)=O)NC(=O)C(C)NC(=O)C(C)NC(=O)N1CCN(C(=O)OCc2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] |
Cc1nc2cnccc2n1CN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 | [C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][C][C][N][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=N][C][C][Ring2][Ring1][=C] |
Cn1c(-c2cccc(-c3ccccc3)c2)nnc1C1(c2ccc(Cl)cc2)CCC1 | [C][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=N][N][=C][Ring1][P][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][O] |
CC[C@H](C)C(NC(=O)C1CCCN1C(=O)C(CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)NC(CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)Nc2cccc(B(O)O)c2)C(=O)O)cc1 | [C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][B][Branch1][C][O][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][O] |
COc1cccc(-c2cc(C3CC4CCC3N4)cnc2F)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][Branch1][=C][N][=C][Ring1][=N][F][=C][Ring2][Ring1][Ring2] |
CN1CCC(NC(=O)c2cccc3c(NCCCCCCCCNc4c5ccccc5nc5c(C(=O)NC6CCN(C)CC6)cccc45)c4ccccc4nc23)CC1 | [C][N][C][C][C][Branch2][=Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Branch1][C][N][C][C][C][C][C][C][C][C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring2][S][Ring2][Ring2][N][C][C][Ring2][Branch1][=Branch2] |
CC[C@@]1(C)CCC[C@]2(C)[C@H]3C[C@H](OC(=O)CC(C)OC(C)=O)[C@]4(C)C(C=O)C(C(C)=O)=CC[C@H]4[C@]3(C)CC[C@@H]12 | [C][C][C@@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@H1][C][C@H1][Branch1][P][O][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][Branch1][C][C][=O][C@][Branch1][C][C][C][Branch1][Ring1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][C@H1][Ring1][N][C@][Ring2][Ring1][#Branch2][Branch1][C][C][C][C][C@@H1][Ring2][Ring2][Branch1][Ring2][Ring1][S] |
NC(=O)CC1NC(=O)C2C[C@@H](O)CN2C(=O)CNC(=O)C(Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(NCc2cccc([N+](=O)[O-])c2)CSSCC(C(N)=O)NC1=O | [N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][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][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][S][S][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][Ring2][Branch1][P][=O] |
C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)/C(C)=C\C)[C@]2(CO)[C@H](OC(C)=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC(C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][\C][C@][Branch1][Ring1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@][Branch1][C][C][C][=Branch2][=Branch1][O][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][Branch2][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@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Ring1][S][C][C][C@][Ring2][Ring2][Ring2][Ring2][Ring2][=Branch2][C][C@@H1][Ring2][Branch1][Ring2][C][C][Ring2][Branch1][#C][Branch1][C][C][C] |
CC(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(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O | [C][C][Branch2][=Branch1][Ring2][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][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][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][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=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] |
CCCCCCCCCCCCCCC[C@@H](O)[C@H](CCO)NC(C)=O | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][Ring2][C][C][O][N][C][Branch1][C][C][=O] |
O=C(COc1ccc(F)c(F)c1)N[C@H]1CC[C@@H](Nc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C@H1][C][C][C@@H1][Branch2][Ring1][=C][N][C][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Ring1][#C][C][C][Ring2][Ring1][=Branch1] |
COc1ccccc1NC1=NC(C)(C)N=C(N)N1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][Branch1][C][C][N][=C][Branch1][C][N][N][Ring1][=Branch2] |
N=C(N)c1ccc(CNC(=O)C2CCCN2C(=O)NCc2ccccc2)cc1 | [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] |
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3cnccn3)cc2)c2ccc(OCc3ccccn3)cc12 | [C][C][Branch1][C][C][Branch1][C][C][S][C][=C][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch1][Ring1][=C] |
O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)NCCCN(CCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC(=O)Nc2ccc(C(=O)NCCCCC(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)C(=O)O)cc2)CCN(CC(=O)O)CC1 | [O][=C][Branch1][C][O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch2][=Branch2][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring2][P][C][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][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@@H1][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][P][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][#Branch1][S] |
C[C@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O | [C][C@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][Ring2][=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][Ring1][C][O][Branch1][Ring1][C][O][C@@H1][Ring2][Ring1][Branch1][C][C][C@][Ring2][Ring1][=Branch2][Ring2][Ring1][=C][C][C@@H1][Ring2][Ring2][=Branch1][C@][Ring2][Ring2][#Branch2][Branch1][C][C][O] |
CCCS(=O)(=O)N1C[C@H]2CC[C@H]1C(C(=O)Nc1ccc(OC(C)C)cc1)C2 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1] |
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 | [O][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=N+1][Branch2][Ring2][O][C][C][C][C][C][C][C][C][C][C][N+1][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring2][C] |
Cn1cc(NC(=O)c2cc(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3C(=O)C(N)Cc3cnc[nH]3)cn2C)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NC(Cc3cnc[nH]3)C(=O)N3CCCC3C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O)n(C)c2)n(C)c1 | [C][N][C][=C][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][=C][N][Ring2][Ring2][O][C][C][=C][Ring2][Branch1][Ring2][C][=Branch1][C][=O][N][C][C][=C][Branch2][#Branch1][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Branch1][#C][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][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][N][Branch1][C][C][C][=Ring2][Ring2][=C][N][Branch1][C][C][C][=Ring2][Branch1][#Branch1] |
C[C@]1(C(=O)N2CCOCC2)CO[C@H](c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccc(F)cc4)n3)[nH]2)OC1 | [C][C@][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][O][C@H1][Branch2][Ring2][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][Branch2][C][=C][C][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][#C][NH1][Ring2][Ring1][O][O][C][Ring2][Ring2][=Branch2] |
CCC1=NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)CCCC(O)CC(C)C)C(C)C)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][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch2][=Branch2][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][Ring1][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][O][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@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Branch2][#Branch2][=O] |
Cc1cc(OCC2CCCO2)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(OCC5CCCO5)c4c3)ccc2n1 | [C][C][=C][C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][=C][=C][Ring2][Ring1][C][C][=C][C][Ring2][Ring1][=C][=N][Ring2][Ring2][=Branch2] |
O=C(Cn1cccc(NC(=O)c2ccccc2)c1=O)NCCO | [O][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][N][C][C][O] |
CC(=O)c1cc2ccccc2s1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CCC(=O)N(CC)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC | [C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][N][=C][N][=C][Ring1][P][C][Branch1][Ring2][C][C][O][=C][Ring2][Ring1][Branch2][O][C] |
COc1ccc(F)cc1S(=O)(=O)Nc1cnc2ccccc2c1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
Cc1ccc2c(=O)cc(-c3ccc(OCCOCCOCCOCCOCCOc4ccc(-c5cc(=O)c6ccc(C)cc6o5)cc4)cc3)oc2c1 | [C][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring2][P][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring2][Branch2][O][C][Ring2][Ring2][#C][=C][Ring2][Branch1][Ring1] |
CC[C@H](C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CCCCNC(C)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)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(Cc1ccccc1)NC(=O)C(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCNC(=N)N)C(N)=O)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch3][Ring1][Ring1][Ring2][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][Branch2][C][C][C][Branch1][C][N][=O][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][O][C][C][C][C][N][C][Branch1][C][C][=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][Branch1][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][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][N][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][Cl][C][Ring1][=N][=O][=C][Ring2][Ring1][Branch1] |
O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3ccccc3o2)CC1c1ccccc1[N+](=O)[O-] | [O][=C][Branch2][Ring1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][P][N][N][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
CCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][C][C][C][Ring1][S] |
CC(C)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O)C(C)C)C(N)=O | [C][C][Branch1][C][C][C][Branch2][#Branch1][Branch2][N][C][=Branch1][C][=O][C][Branch2][=Branch1][#Branch2][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][N][=O][N][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][N][=O] |
CCCC(NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)C(NC(=O)CCCCc1nn[nH]n1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](C)c1ccncc1 | [C][C][C][C][Branch2][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] |