molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
C/C(=C\c1ccncc1)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 | [C][/C][=Branch1][#Branch2][=C][\C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][P][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][N][Ring2][Ring1][Ring1][C][C][C][Branch1][C][N][=O][S][Ring2][Ring1][S] |
CC(C)CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]4(C)[C@H]3CC[C@]12C | [C][C][Branch1][C][C][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][C][O][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@][Ring2][Ring1][C][Branch1][C][C][C@H1][Ring2][Ring1][#Branch1][C][C][C@][Ring2][Ring2][#Branch2][Ring2][Ring1][O][C] |
O=C(NCCSSCCNC(=O)/C(Cc1cccc(OS(=O)(=O)O)c1Br)=N/O)/C(Cc1cc(Br)c(O)c(-c2ccc(C/C(=N\O)C(=O)NCCSSCCNC(=O)/C(Cc3ccc(OS(=O)(=O)O)c(Br)c3)=N/O)c(Br)c2O)c1)=N/O | [O][=C][Branch2][Ring2][Branch2][N][C][C][S][S][C][C][N][C][=Branch1][C][=O][/C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][O][Br][=N][/O][/C][Branch2][#Branch1][#Branch1][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch2][=Branch1][Ring2][C][=C][C][=C][Branch2][Branch1][Ring2][C][/C][=Branch1][Ring1][=N][\O][C][=Branch1][C][=O][N][C][C][S][S][C][C][N][C][=Branch1][C][=O][/C][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][C][Br][=C][Ring1][N][=N][/O][C][Branch1][C][Br][=C][Ring2][Ring2][#Branch1][O][=C][Ring2][Ring2][S][=N][/O] |
COC(=O)/C=C/[C@H](CC(C)C)NC(=O)CCC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)C(=O)NC(=O)C(C)N)C(N)=O | [C][O][C][=Branch1][C][=O][/C][=C][/C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Branch1][C][N][=O] |
CCCC[C@H](CC)NC(=O)C(N)CC(=O)O | [C][C][C][C][C@H1][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=Branch1][C][=O][O] |
CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C([C@@H](C)O)NC(=O)C(c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C([C@@H](C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)Cc2cccc3ccccc23)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][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][C][C][N][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][N][=O][O][C][=Branch1][C][=O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Ring2][=N][Ring2][=O] |
C[C@@H](O)C(N)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O | [C][C@@H1][Branch1][C][O][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][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][NH1][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][#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@H](C)C(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(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O | [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][#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][#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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O] |
CC[C@H](C)C(OC(=O)C(NC(=O)C(C)OCc1ccccc1)C(C)C)C(=O)NC(C(=O)OC(C)C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C)C(=O)NC(C(=O)OC(CC(C)C)C(=O)NC(C(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring2][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][=Branch2][Ring2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][#Branch1][=N][C][=Branch1][C][=O][O][C][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C][Branch2][Branch1][S][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C] |
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)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)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][O][N][C][=Branch1][C][=O][C][Branch2][=Branch2][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][=Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Branch1][O][N][C][=Branch1][C][=O][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C][C@@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@][Ring2][Ring1][Ring1][Ring1][S][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][Branch2][=O] |
COCCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21 | [C][O][C][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][Ring1][P] |
C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2 | [C][#C][C@H1][C][C][C@@H1][Branch1][Ring1][C][#N][N][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][C][Branch1][=C][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring1][O] |
COc1ccc2c(O[C@@H]3CC4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCCC(=O)N4C3)cc(-c3cscn3)nc2c1 | [C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch1][O][C@@H1][C][C][C][=Branch1][C][=O][N][C@][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C@H1][Ring1][N][/C][=C][\C][C][C][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][O][C][Ring2][Ring1][=C][=C][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=N][C][Ring2][Ring2][#Branch2][=C][Ring2][Ring2][=C] |
CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1cc[n+](c1)Cc1ccc(cc1)C(=O)c1ccc2c(c1)c1cc(ccc1n2CC)C(=O)c1ccc(cc1)C[n+]1ccn(c1)Cc1ccc(cc1)C3=O | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][N+1][=Branch1][Ring2][=C][Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N+1][C][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Ring2][=Branch1][Branch1][=O] |
CCCCCCCCCCCC/C=C\CC[C@@H](O)[C@H](O)CCCCCCC(=O)CCCCCCCC1=C[C@H](C)OC1=O | [C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][\C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O] |
CCc1c(C#N)c(-c2ccc(-c3ccc(OC)cc3)cc2)c(C(=O)O)n1C | [C][C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][=C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Ring2][Ring1][Branch2][C] |
CN(C)CCNC(=O)c1cccc2c(NCCN3CCN(CCNc4c5ccccc5nc5c(C(=O)NCCN(C)C)cccc45)CC3)c3ccccc3nc12 | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][C][N][C][C][N][Branch2][Ring2][#Branch1][C][C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=C][C][C][Ring2][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring2][S][Ring2][Ring2][N] |
O=C(c1ccco1)N1CCC(CCCN2CCC3(CC2)C(=O)NC(=O)N3c2ccccc2)(c2ccc(Cl)c(Cl)c2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][Branch2][Ring2][C][C][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring2][C] |
CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)O | [C][C][Branch1][C][C][C@H1][Branch2][#Branch2][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][O] |
COc1c(O)cc2c(O)c1C=C(C)C[C@H](OC)[C@H](OC(=O)CCN)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)N2 | [C][O][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][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] |
CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)C(N)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)cn1C | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][#Branch1][O][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][N][Ring1][Branch1][C][=C][N][Ring1][=C][C][=C][N][Ring2][Ring1][#Branch1][C][=C][N][Ring2][Ring2][#Branch1][C][=C][N][Ring2][Ring2][S][C][=C][N][Ring2][Branch1][=Branch2][C] |
COc1cc(Nc2ccnc3cc(-c4ccncc4)ccc23)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][#Branch2][N][C][=C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
O=C(O)CC(C(=O)O)n1cc(CCCC(=O)OCOc2n/c(=C\c3cccc(C(=O)c4ccccc4)c3)c(=O)[nH]c2=Cc2ccccn2)nn1 | [O][=C][Branch1][C][O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][Branch2][Branch1][#Branch2][C][C][C][C][=Branch1][C][=O][O][C][O][C][=N][/C][=Branch2][Ring1][Branch2][=C][\C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][=Branch1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][Ring2][Ring2][#Branch2] |
CCCC1C(C(=O)NC(C)c2ccccc2)=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 | [C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C][C][Ring1][Ring1] |
CC[C@@]1(C(=O)NCCN2CCOCC2)OC(=O)c2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C1CCCCC1 | [C][C][C@@][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Ring1][P][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1] |
ON=C(O)/C=C/c1ccc(/C=N/OCc2ccccc2)cc1 | [O][N][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch1][=N][/C][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] |
CCCC(=O)OC(Cn1ccnc1)c1ccc(Cl)cc1 | [C][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
C=C[C@](C)(CC/C=C(\C)C(=O)O[C@H]1C[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[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][S][#Branch1][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][C][C@][Branch2][=Branch1][#C][C][=Branch1][C][=O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][P][O][C@@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][=N][O][C@H1][Branch1][C][O][C][C@][Branch1][C][C][C][=Branch2][Branch2][=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][Branch2][=C][C][C][Ring2][=Branch2][C][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] |
O=C(O)C(=O)CC(=O)c1ccnc2ccccc12 | [O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
COc1ccc([C@]2(C#N)C[C@H]3CC(C(=O)O)C[C@H]3C2)cc1OCC1CC1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C@][Branch1][Ring1][C][#N][C][C@H1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring1][Branch2][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C][C][C][C][Ring1][Ring1] |
CC(C)CCC(=O)C(C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C | [C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C@@][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][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][C][C@][Ring2][Ring1][C][Branch1][C][C][C@H1][Ring2][Ring1][#Branch1][C][C][C@@][Ring2][Ring1][O][Ring2][Ring2][=Branch2][C] |
C/C=C/CCCC(C)C(=O)c1c(O)c([C@H](C)O)n(C)c1O | [C][/C][=C][/C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][O][=C][Branch1][=Branch1][C@H1][Branch1][C][C][O][N][Branch1][C][C][C][=Ring1][#Branch2][O] |
O[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OCc2ccccc2)cc13 | [O][C@@][C][C][C][C][C@@][Ring1][=Branch1][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C@@H1][Ring1][#C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][=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(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCC(N)=O)[C@@H](C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CCN)C(=O)NC(CC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][#Branch2][C][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][P][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#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@@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][Ring2][C][C][N][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] |
CC(C)P(=O)(O)C1=CCC(N)C1 | [C][C][Branch1][C][C][P][=Branch1][C][=O][Branch1][C][O][C][=C][C][C][Branch1][C][N][C][Ring1][=Branch1] |
CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](COC)[C@@H](OP(=O)(O)O)[C@@H]1OCC[C@@H](CCCCCCC)OC | [C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][Branch1][=N][O][C][C@H1][O][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][N][O][C][C][C][C][C][C][C][C][C][C][C@@H1][Ring2][Ring2][#Branch1][O][O][C@H1][Branch1][Ring2][C][O][C][C@@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Ring2][Branch1][Branch2][O][C][C][C@@H1][Branch1][Branch2][C][C][C][C][C][C][C][O][C] |
C/C(=C/CC[C@H](C)/C=C/C=C(\C)CCCC1=CCN(CC(=O)O)C1=O)Cc1oc(O)c(C)c1O | [C][/C][=Branch2][Ring2][C][=C][/C][C][C@H1][Branch1][C][C][/C][=C][/C][=C][Branch1][C][\C][C][C][C][C][=C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O][C][C][O][C][Branch1][C][O][=C][Branch1][C][C][C][=Ring1][#Branch1][O] |
CCC1=NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C([C@H](C)CC)NC(=O)C(NC(=O)C(NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)C(C(C)C)NC1=O | [C][C][C][=N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][Branch2][N][C][=Branch1][C][=O][C][Branch2][#Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Branch2][=Branch1][=O] |
CC/C=C/C=C/C=C/C=C/C=O | [C][C][/C][=C][/C][=C][/C][=C][/C][=C][/C][=O] |
CC(C)(C)OC(=O)NC(CS(=O)(=O)NC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][Ring1][=Branch2] |
COc1cc([C@H]2C(C(=O)O[C@@H]3C[C@@H]4[C@@H](CN(C)C[C@@H]4C)[C@@H]3C)[C@H](c3ccc(O)c(OC)c3)C2C(=O)O[C@@H]2C[C@@H]3[C@@H](CN(C)C[C@@H]3C)[C@@H]2C)ccc1O | [C][O][C][=C][C][Branch2][=Branch1][=C][C@H1][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C@@H1][Branch1][O][C][N][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][C@@H1][Ring1][O][C][C@H1][Branch1][S][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][Ring2][Ring1][N][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C@@H1][Branch1][O][C][N][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][C@@H1][Ring1][O][C][=C][C][=C][Ring2][Ring2][P][O] |
CO[C@@]12C=C3C(=C(C)C(=O)C(=O)C3[C@@H]3O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]1C)[C@H](C)[C@H](O)[C@H]3C)O2 | [C][O][C@@][C][=C][C][=Branch2][Branch1][=Branch2][=C][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Ring1][=Branch2][C@@H1][O][C@H1][Branch2][Ring1][#Branch1][C][C][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C][C@@H1][Branch1][C][C][C][C@@H1][Ring2][Ring1][#Branch2][C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][C][O][Ring2][Ring2][C] |
CC[C@H](C)C1NC(=O)C(Cc2ccoc2)N(C)C(=O)C(C)N(C)C(=O)C(CC(C)C)NC(=O)C(Cc2ccoc2)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC1=O | [C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][N][Branch1][C][C][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][Ring2][Branch1][Branch1][=O] |
COc1ccc(C(CCN(C)CC(=O)O)Oc2ccc(C(F)(F)F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][=N][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2] |
c1cc2nc(c1)C[n+]1ccn(c1)Cc1cc3ccccc3nc1Oc1ccc3ccccc3c1-c1c(ccc3ccccc13)Oc1nc3ccccc3cc1Cn1cc[n+](c1)C2 | [C][=C][C][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N+1][C][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][N][C][=C][N+1][=Branch1][Ring2][=C][Ring1][Branch1][C][Ring2][Branch1][N] |
CC(C)CC(=O)C[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC4O[C@H](C)[C@@H](O)[C@H](OC5OC[C@@H](OC6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6OC6O[C@H](C)[C@H](O)[C@H](OC7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5OC5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch2][=Branch2][C][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][#Branch1][=C][O][C][O][C][C@@H1][Branch2][Branch1][O][O][C][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][O][C][O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring1][Ring1][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][#Branch1][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Branch1][O][O][C@H1][C][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C@][Ring1][O][Branch1][C][C][C][Ring2][=Branch1][=N][=C][C][C@@][Ring2][=Branch1][P][Ring2][#Branch1][Ring2][C] |
COc1cc(C=CC(=O)OC[C@H]2O[C@@](COC(=O)C=Cc3ccc(O)cc3)(O[C@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)C=Cc3ccc(O)c(OC)c3)[C@@H]2O)ccc1O | [C][O][C][=C][C][Branch2][#Branch1][=N][C][=C][C][=Branch1][C][=O][O][C][C@H1][O][C@@][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Branch2][Ring1][#Branch2][O][C@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=N][O][C@@H1][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C@@H1][Ring2][Ring2][#C][O][=C][C][=C][Ring2][Branch1][N][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] |
NC(=O)Nc1sc(-c2ccc(CN3CCCCC3)cc2)cc1C(N)=O | [N][C][=Branch1][C][=O][N][C][S][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=C][C][=Ring2][Ring1][C][C][Branch1][C][N][=O] |
CC(C)(C)OC(=O)N1CCN(C(=O)C(Cc2ccc(OS(=O)(=O)c3cccc4cccnc34)cc2)NS(=O)(=O)c2cccc3cnccc23)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][=Branch1][C][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring2][N] |
O=C(O)CCCc1ccc(Cn2ccc(=O)[nH]c2=O)cc1 | [O][=C][Branch1][C][O][C][C][C][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][#C] |
Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(N2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=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][Ring2][C] |
CC(C(=O)N1CCN(CC2CCCO2)CC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(Oc4ccccc4)cc3)nn2)O1 | [C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][N][C@H1][C][C][C@@H1][Branch2][Ring2][=Branch1][C][C@@H1][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][N][=N][Ring2][Ring1][Ring2][O][Ring2][Ring1][N] |
COC(=O)C(C)=C1C=CC(C)CC[C@H]2O[C@]2(C)CC/C=C(\C)CC1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C][Branch1][C][C][C][C][C@H1][O][C@][Ring1][Ring1][Branch1][C][C][C][C][/C][=C][Branch1][C][\C][C][C][Ring2][Ring1][C] |
C=C1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]7O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O | [C][=C][C][O][C@@][Branch2][#Branch1][#Branch1][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch2][Ring2][Branch2][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@H1][Ring1][N][O][C@][Ring2][Ring1][=C][Branch1][C][C][C@H1][Ring2][Ring2][Ring1][C][C][C@][Ring2][Ring2][#Branch1][Branch1][C][C][C@H1][Ring2][Ring2][O][C@@H1][Ring2][Ring2][=C][C][C@@H1][Branch1][C][O][C@H1][Ring2][Branch1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O] |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC(C(=O)O)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O | [C][C@@H1][O][C@@H1][Branch2][O][=Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch2][P][O][C][C@H1][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][Ring2][O][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][P][C][C][C@@][Ring2][Ring2][Branch1][Branch1][C][C][C@][Ring2][Ring2][#Branch2][Branch1][C][C][C][C][Ring2][Branch1][Branch1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][S][O][O][C@@H1][Ring2][=Branch1][O][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch1][=Branch1][O] |
COc1ccc2c(c1)C(C)(CCCN(C)C)C(=O)N2C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=C][C] |
CC(=O)O[C@H]1CC[C@]2(CO2)[C@@H]2[C@H](OC(C)=O)[C@]3(O)C(C)C(=O)O[C@H]3/C=C(/C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]12C | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][Branch1][C][O][Ring1][Ring1][C@@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][Branch2][/C][=C][Branch1][C][/C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring2][Ring2][Ring1][Ring2][Ring1][=N][C] |
COc1ccc2c(CCCN3CCC[C@@H](C)C3)cccc2c1 | [C][O][C][=C][C][=C][C][Branch1][#C][C][C][C][N][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1][=C][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(N)[C@@H](C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O | [C][C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O] |
C1=CC(CCNc2ncnc3[nH]cnc23)CCC1 | [C][=C][C][Branch1][P][C][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring2][Ring1][C] |
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 | [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@][Branch1][C][C][O][C@H1][Ring1][Ring2][C@H1][Branch1][C][C][C@@H1][C][C@@][Branch1][C][O][Branch1][=Branch2][N][C][=Branch1][C][=O][O][Ring1][Branch2][C@H1][Branch1][Ring1][O][C][/C][=C][/C][=C][Branch1][C][\C][C][Ring2][Ring2][Branch2] |
O=C(Nc1cccc(OC(F)F)c1)c1ccccn1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)CN)C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O | [C][C][Branch1][C][C][C][Branch2][Branch2][O][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][=Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][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][O] |
NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][S][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][Branch1] |
O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(c2ccnc3cc(Cl)ccc23)C1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][N][Branch2][Ring1][C][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][Ring1][S] |
N=C(NCCCC(N)C(=O)NC(CCN)C(N)=O)N[N+](=O)[O-] | [N][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][C][N][C][Branch1][C][N][=O][N][N+1][=Branch1][C][=O][O-1] |
O=C(NCc1ccc(S(=O)(=O)O)cc1)C(CS)Cc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Branch1][Ring1][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)CC(NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(Cl)cc1)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)O | [C][C][Branch1][C][C][C][C][Branch2][#Branch2][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][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][O] |
CCCC(=O)O[C@@H]1[C@H](C(C)C)[C@@H]2[C@H]3C=C(C)[C@H](O)[C@H](OC(=O)CC)[C@@H](OC(=O)CCC)[C@]3(C)C[C@H](OC(=O)CCC)[C@]2(C)[C@H]1OC(=O)CCC | [C][C][C][C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][C@H1][C][=C][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C@][Ring2][Ring1][Ring2][Branch1][C][C][C][C@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C@][Ring2][Ring1][#C][Branch1][C][C][C@H1][Ring2][Ring2][=Branch1][O][C][=Branch1][C][=O][C][C][C] |
O=C(O)c1[nH]nc2c1OCC2 | [O][=C][Branch1][C][O][C][NH1][N][=C][C][=Ring1][Branch1][O][C][C][Ring1][Branch1] |
CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 | [C][C][=C][Branch2][Ring1][N][C][C][C@@H1][Branch1][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Branch2][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch2][=Branch1][=N][O][C@@H1][O][C@H1][Branch1][Ring1][C][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][Ring1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][Ring2][O][C@H1][Branch1][C][O][C][C@][Ring2][Branch1][=N][Branch1][C][C][C@H1][Ring2][=Branch1][C][C][C][C@][Ring2][=Branch1][=Branch1][Branch1][C][C][C@@H1][Ring2][#Branch1][=C][Ring2][=Branch1][#Branch2] |
COc1ccc(S(=O)(=O)n2cccc2)cc1 | [C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][=C] |
COc1cc(CNc2ccc(C(C)C)cc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] |
CO[C@H]1[C@H](O[C@H]2[C@H](OCC[C@@H](/C=C/[C@@H](C)[C@H]3C[C@@H](O)[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@@]43C)C(C)C)O[C@@H](CO)[C@@H]2O)OC[C@@H](OC)[C@@H]1O | [C][O][C@H1][C@H1][Branch2][=Branch1][O][O][C@H1][C@H1][Branch2][Branch1][#Branch2][O][C][C][C@@H1][Branch2][Ring2][=C][/C][=C][/C@@H1][Branch1][C][C][C@H1][C][C@@H1][Branch1][C][O][C@H1][C@@H1][C][C@H1][Branch1][C][O][C@H1][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Branch1][C][C][Branch1][C][C][C][O][C@@H1][Branch1][Ring1][C][O][C@@H1][Ring2][Ring2][Branch2][O][O][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Ring2][Branch1][C][O] |
CCC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)OC(C)(C)C)[C@H]3CC3(C)C)C[C@@](O)([C@@H](OC(=O)c3cccc(OC)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][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][C@@H1][Branch2][Ring2][Ring2][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@H1][C][C][Ring1][Ring1][Branch1][C][C][C][C][C@@][Branch1][C][O][Branch2][Branch1][Branch1][C@@H1][Branch2][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=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] |
O=C1c2cccc3c(-c4cc(=O)c5ccccc5o4)ccc(c23)C(=O)N1CCCCN1CCNCC1 | [O][=C][C][=C][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][Branch1][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C][C][C][C][N][C][C][N][C][C][Ring1][=Branch1] |
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccc(Br)cc1)C(C)(C)O2 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][Ring1][#C][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][Branch1] |
O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(Cl)cc21 | [O][=C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] |
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(Cc1ccc(O)cc1)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][=N][C][C][=C][C][=C][Branch1][C][O][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] |
C[C@@H](NC(=O)c1cc(C(=O)NC(Cc2ccccc2)C(O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 | [C][C@@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring2][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
C=c1[nH]c(O)c(C(C)C)[nH]c(O)c(C(C)CC)[nH]c(=O)c2nc(oc2-c2ccccc2)c2nc(oc2C)c2csc(n2)c2coc(n2)c2nc1oc2C | [C][=C][NH1][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][C][Branch1][C][O][=C][Branch1][#Branch1][C][Branch1][C][C][C][C][NH1][C][=Branch1][C][=O][C][N][=C][Branch1][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch1][O][C][=Ring1][Branch1][C][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][C][N][=C][Ring2][Ring2][P][O][C][=Ring1][Branch1][C] |
O=C(CP(=O)(O)OCc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 | [O][=C][Branch2][Ring1][=N][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CC#C[C@]1(O)CC[C@H]2C3=C(C4=C(CC3)CC(=O)CC4)C(c3ccc(N(C)CCCOCc4ccc(C(N)=O)c(O)c4)cc3)C[C@@]21C | [C][C][#C][C@][Branch1][C][O][C][C][C@H1][C][=C][Branch2][Ring1][C][C][=C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][C][Ring1][=Branch2][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][C][C][C][C][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1][C][C@@][Ring2][Ring2][=Branch1][Ring2][Ring2][#Branch2][C] |
CC(=O)Nc1ccc2c(c1)C(=O)N(C(C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)C(=O)N2 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring2][Ring1] |
COC(=O)OC1=C(C)C2C[C@H]3OC(=O)C(OC(=O)OC)[C@H]4[C@]5(C(=O)OC)OC[C@]34[C@H]([C@@H](O)[C@@H]5O)[C@@]2(C)CC1=O | [C][O][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][C][C@H1][O][C][=Branch1][C][=O][C][Branch1][Branch2][O][C][=Branch1][C][=O][O][C][C@H1][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][C][C@][Ring2][Ring1][Ring1][Ring1][=Branch2][C@H1][Branch1][=Branch2][C@@H1][Branch1][C][O][C@@H1][Ring1][N][O][C@@][Ring2][Ring1][O][Branch1][C][C][C][C][Ring2][Ring1][P][=O] |
CO[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@H]([C@H]2O)[C@H](O)C[C@]2(O)[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)CC[C@H](O)C(C)C)C[C@@H](O)[C@H]32)OC[C@@H](O)[C@@H]1O | [C][O][C@H1][C@H1][Branch2][Branch1][#C][O][C@H1][C][C][C@@][Branch1][C][C][C@H1][Branch1][Branch1][C@H1][Ring1][#Branch1][O][C@H1][Branch1][C][O][C][C@][Branch1][C][O][C@@H1][Ring1][O][C][C][C@][Branch1][C][C][C@@H1][Branch1][S][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C@H1][Ring1][S][Ring2][Ring1][Branch1][O][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][Branch2][O] |
Nc1ncnc2c1ncn2CC(=O)c1cccnc1 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
COc1ccc(-c2nc3ccc(F)cc3o2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] |
CC[C@H](C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C1CCCCNC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(N)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)N1)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch3][Ring1][Ring2][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][=C][Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][O][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
O=C(O)c1cn([C@]2(C(=O)O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 | [O][=C][Branch1][C][O][C][=C][N][Branch2][Ring1][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=N][O][N][=N][Ring2][Ring1][Ring1] |
CCCCCOc1ccc(Oc2ccc(O)cc2)cc1 | [C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
NC(=O)CC(NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)c1ccccc1N)C(=O)NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O | [N][C][=Branch1][C][=O][C][C][Branch2][Ring2][P][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][#Branch1][C][C][=Branch1][C][=O][O][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] |
COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2 | [C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][=C] |
CCCCCCCCOc1c2cc(C(=O)O)cc1Cc1cc(C(=O)O)cc(c1OCCCCCCCC)Cc1cc(C(=O)O)cc(c1OCCCCCCCC)Cc1cc(cc(C(=O)O)c1)C2 | [C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][=N][=C][Ring1][=Branch2][O][C][C][C][C][C][C][C][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][=N][=C][Ring1][=Branch2][O][C][C][C][C][C][C][C][C][C][C][=C][C][=Branch1][=N][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][Ring2][Branch1][=Branch2] |
N#Cc1c(N)nc(Sc2ccc(O)cc2)c(C#N)c1-c1ccc(Cl)cc1 | [N][#C][C][=C][Branch1][C][N][N][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CC(C)C(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)O)C(C)C | [C][C][Branch1][C][C][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][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][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] |
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](OC(=O)/C=C\c3ccc(OC)cc3)[C@H]12 | [C][O][C][=Branch1][C][=O][C][=C][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][C][Branch1][Ring1][C][O][=C][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C@H1][Ring2][Ring2][Ring2][Ring2][Ring1][Ring2] |
CC(C)CC(NC(=O)C=Cc1cccc(OP(=O)(O)O)c1)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(C(N)=O)[C@@H](C)O | [C][C][Branch1][C][C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][O][C][=Branch1][C][=O][N][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][Branch1][C][N][=O][C@@H1][Branch1][C][C][O] |
CC(C)C(=O)OC([C@H](CC1CCNC1=O)NC(=O)C(CC1CCCCC1)NC(=O)OCc1cccc(Cl)c1)S(=O)(=O)O | [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch2][Ring2][S][C@H1][Branch1][#Branch2][C][C][C][C][N][C][Ring1][Branch1][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O] |