molecule_smiles
stringlengths 2
3.43k
| SELFIES
stringlengths 5
9.02k
|
|---|---|
CC(C)O.CC(C1=C(C(=C(C(=O)N1C)C=C)C=C)C2=CC(=CC=C2)O)C(=O)O | [C][C][Branch1][C][C][O].[C][C][Branch2][Ring2][Ring1][C][=C][Branch2][Ring1][Ring1][C][=Branch1][=C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O] |
CC(C1=C(C(=C(C(=O)N1C)C=C)C=C)C2=CC(=CC=C2)O)C(=O)O | [C][C][Branch2][Ring2][Ring1][C][=C][Branch2][Ring1][Ring1][C][=Branch1][=C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O] |
CCCC(C)(C)C=O.CC/C(=C(\C1=CC=C(C=C1)Cl)/C(=C(\C)/NC)/C)/N(C)C=O.CC(C)(C)O.C#C.C(=O)O | [C][C][C][C][Branch1][C][C][Branch1][C][C][C][=O].[C][C][/C][=Branch2][Ring1][=Branch2][=C][Branch1][N][\C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][/C][=Branch1][#Branch1][=C][Branch1][C][\C][/N][C][/C][/N][Branch1][C][C][C][=O].[C][C][Branch1][C][C][Branch1][C][C][O].[C][#C].[C][=Branch1][C][=O][O] |
CC/C(=C(\C1=CC=C(C=C1)Cl)/C(=C(\C)/NC)/C)/N(C)C=O | [C][C][/C][=Branch2][Ring1][=Branch2][=C][Branch1][N][\C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][/C][=Branch1][#Branch1][=C][Branch1][C][\C][/N][C][/C][/N][Branch1][C][C][C][=O] |
CCCCCOC(C=O)/C(=C(\C1=CC=C(C=C1)Cl)/C2=C(C=CC(=C2)Br)C=O)/N(C)C.CO | [C][C][C][C][C][O][C][Branch1][Ring1][C][=O][/C][=Branch2][Ring1][=C][=C][Branch1][N][\C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][/C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][Br][C][=O][/N][Branch1][C][C][C].[C][O] |
CCCCCOC(C=O)/C(=C(\C1=CC=C(C=C1)Cl)/C2=C(C=CC(=C2)Br)C=O)/N(C)C | [C][C][C][C][C][O][C][Branch1][Ring1][C][=O][/C][=Branch2][Ring1][=C][=C][Branch1][N][\C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][/C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][Br][C][=O][/N][Branch1][C][C][C] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C(C=O)OC(C)C)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][=N][C][=Branch1][#C][=C][Ring1][=Branch2][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][F][C][Branch1][Ring1][C][=O][O][C][Branch1][C][C][C][C] |
[HH].CC.CCCC(C)(CC)/C(=C(\C1=CC=C(C=C1)CC#N)/C(=C(\C)/C=C\CC)/C=C)/N(C)CO | [HH1].[C][C].[C][C][C][C][Branch1][C][C][Branch1][Ring1][C][C][/C][=Branch2][Ring1][=C][=C][Branch1][=C][\C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][#N][/C][=Branch1][=Branch2][=C][Branch1][C][\C][/C][=C][\C][C][/C][=C][/N][Branch1][C][C][C][O] |
CCCC(C)(CC)/C(=C(\C1=CC=C(C=C1)CC#N)/C(=C(\C)/C=C\CC)/C=C)/N(C)CO | [C][C][C][C][Branch1][C][C][Branch1][Ring1][C][C][/C][=Branch2][Ring1][=C][=C][Branch1][=C][\C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][#N][/C][=Branch1][=Branch2][=C][Branch1][C][\C][/C][=C][\C][C][/C][=C][/N][Branch1][C][C][C][O] |
CCC1=CC=C(C=C1)C2=C(N(C3CC3C4=C2C=C(C=C4)Cl)C)CC(=O)O | [C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][Branch2][N][Branch2][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][C][C][=Branch1][C][=O][O] |
CC1=C(N(C(=C(C1=O)OC2=CC=CC=C2)C)C3CCOCC3)C(C(=O)O)OC(C)(C)C | [C][C][=C][Branch2][Ring1][P][N][Branch2][Ring1][Branch1][C][=Branch1][P][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC(C)(C)O[C@@H](C=O)/C(=C(\C1=C(C2=C(C=C1)OCCN2)Cl)/C(=C(\C=O)/C(=C)C(=C)/C=C\N=C)/C=C)/N(C)C.CO | [C][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Branch1][Ring1][C][=O][/C][=Branch2][Ring2][#C][=C][Branch2][Ring1][Ring2][\C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][Cl][/C][=Branch2][Ring1][C][=C][Branch1][Ring1][\C][=O][/C][=Branch1][C][=C][C][=Branch1][C][=C][/C][=C][\N][=C][/C][=C][/N][Branch1][C][C][C].[C][O] |
CC(C)(C)O[C@@H](C=O)/C(=C(\C1=C(C2=C(C=C1)OCCN2)Cl)/C(=C(\C=O)/C(=C)C(=C)/C=C\N=C)/C=C)/N(C)C | [C][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Branch1][Ring1][C][=O][/C][=Branch2][Ring2][#C][=C][Branch2][Ring1][Ring2][\C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][Cl][/C][=Branch2][Ring1][C][=C][Branch1][Ring1][\C][=O][/C][=Branch1][C][=C][C][=Branch1][C][=C][/C][=C][\N][=C][/C][=C][/N][Branch1][C][C][C] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CN=CC=C3)C(C=O)OC(C)C)C.CO | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][=Branch1][N][=C][Ring1][=Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][=O][O][C][Branch1][C][C][C][C].[C][O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CN=CC=C3)C(C=O)OC(C)C)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][=Branch1][N][=C][Ring1][=Branch2][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][=O][O][C][Branch1][C][C][C][C] |
CC(C)(C)O[C@@H](C=O)C1=C(C2=C(C(=CC=C2)C3=CNN=C3)C(=O)N1C)C4=C(C5=C(CCCO5)C=C4)Cl.CO | [C][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][N][C][=C][Branch1][S][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][=C][Branch1][#C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl].[C][O] |
CC(C)(C)O[C@@H](C=O)C1=C(C2=C(C(=CC=C2)C3=CNN=C3)C(=O)N1C)C4=C(C5=C(CCCO5)C=C4)Cl | [C][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][N][C][=C][Branch1][S][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][N][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][=C][Branch1][#C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl] |
CC1=CC(=NC(=C1)C2=CC(=CC=C2)C3=C(C(=C(N(C3=O)C)CC(=O)O)C4=CC5=C(C=C4)OCCC5)C)C | [C][C][=C][C][=Branch2][Branch1][=N][=N][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][=Branch1][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][C] |
CC(C)OC(C1=C(C2=C(C=CC(=CC2)Cl)C(=O)N1C)C3=ClCSC=C3)C(=O)O | Error |
CC/C=C\C(=C/C)\C1=CC2=C(C=C1)C(=C(N(C2=O)C)[C@H](C(=O)O)OC(C)(C)C)C3=C(C4=C(C=C3)OCCN4)Cl | [C][C][/C][=C][\C][=Branch1][Ring1][=C][/C][\C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][=N][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][Cl] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCC3)CC(=O)O)C)C4=C(C=CC(=C4)C5=CN(N=C5)C)F | [C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C][=Branch2][Ring1][Ring2][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][F] |
CN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=C(C=C3)Cl)C(C(=O)O)OC | [C][N][C][=Branch2][Ring1][P][=C][Branch2][Ring1][C][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][Br][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C] |
CC1=C(N(C(=C(C1=O)C2=CC3=C(C=C2)N=CO3)C)C4=CC5=C(C=C4)OCCC5)C(C(=O)O)OC(C)(C)C | [C][C][=C][Branch2][Ring2][S][N][Branch2][Ring1][N][C][=Branch2][Ring1][#Branch1][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][=C][O][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC(C)(C)O.CN1C(=C(C2=C(C1=O)C=C(C=C2)CC3=CC=NC=C3)C4=C(C5=C(C=C4)OCCN5)Cl)CC=O.CO.C=C | [C][C][Branch1][C][C][Branch1][C][C][O].[C][N][C][=Branch2][Ring2][P][=C][Branch2][Ring1][#Branch2][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][Branch1][Branch1][C][=C][Ring1][Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][Cl][C][C][=O].[C][O].[C][=C] |
CN1C(=C(C2=C(C1=O)C=C(C=C2)CC3=CC=NC=C3)C4=C(C5=C(C=C4)OCCN5)Cl)CC=O | [C][N][C][=Branch2][Ring2][P][=C][Branch2][Ring1][#Branch2][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][Branch1][Branch1][C][=C][Ring1][Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][Cl][C][C][=O] |
CC1=C(C(=NO1)C)C2=CC=C(C=C2)C3=C(C(=C(N(C3=O)C)CC(=O)O)C4=CC5=C(C=C4)OCCN5)F | [C][C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=N][O][Ring1][Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][=Branch1][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][F] |
CC.CCC.CN1CCCCC1=O.CN1C(=O)CCC2=CC=CC=C21 | [C][C].[C][C][C].[C][N][C][C][C][C][C][Ring1][=Branch1][=O].[C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CC1=C(C=C(C=C1)C2=C(C(=C(N(C2=O)C)CC(=O)O)C3=C(C=C4CCCOC4=C3Cl)OC(C)(C)C)C)C | [C][C][=C][Branch2][Branch1][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][S][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][=C][C][=C][C][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][Cl][O][C][Branch1][C][C][Branch1][C][C][C][C][C] |
CC(C)(C)OC(C1=C(C2=C(C=C(C=C2)Cl)C(=O)N1C)C3=C4C5=C(C=C3)OCCC5=CC=N4)C(=O)O | [C][C][Branch1][C][C][Branch1][C][C][O][C][Branch2][Ring2][S][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][=C][C][=N][Ring1][N][C][=Branch1][C][=O][O] |
CC(=C)/C(=C\1/CCCOC1=C)/F | [C][C][=Branch1][C][=C][/C][=Branch1][#Branch2][=C][/C][C][C][O][C][\-Ring1][=Branch1][=C][/F] |
CC1=C(C(=C(N(C1=O)C2=CC=CC=N2)C)C3=C(C4=C(C=C3)OCCC4)OC(C)(C)C)CC(=O)O | [C][C][=C][Branch2][Branch1][Ring1][C][=Branch2][Ring1][Ring2][=C][Branch1][S][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CC=O)C.CC(C)O.CO | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][=Branch1][N][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=O][C].[C][C][Branch1][C][C][O].[C][O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CC=O)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][=Branch1][N][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=O][C] |
CC.CC1=C2C=CC=CN2C(=O)C(=C1)F | [C][C].[C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][Ring2][=C][Ring1][O][F] |
CC1=C2C=CC=CN2C(=O)C(=C1)F | [C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][Ring2][=C][Ring1][O][F] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=C(C=C3)C)C)C(COC(C)C)C=O)C.CO | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][C][C][=Branch2][Ring1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][C][C][=O][C].[C][O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=C(C=C3)C)C)C(COC(C)C)C=O)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][C][C][=Branch2][Ring1][C][=C][Ring1][=Branch2][C][=C][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][C][C][=O][C] |
CCCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1C)C3=CC=C(C=C3)CC | [C][C][C][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C] |
CC(C)(C)O.CN1C(=C(C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)C(CCC4)(F)F)CC(=O)O.C#C | [C][C][Branch1][C][C][Branch1][C][C][O].[C][N][C][=Branch2][Ring2][=Branch1][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Branch2][Branch1][C][F][F][C][C][=Branch1][C][=O][O].[C][#C] |
CN1C(=C(C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)C(CCC4)(F)F)CC(=O)O | [C][N][C][=Branch2][Ring2][=Branch1][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Branch2][Branch1][C][F][F][C][C][=Branch1][C][=O][O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=C(C=C3)C(C)(F)F)C(C=O)OC(C)C)C.CO | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][=Branch2][Ring1][=Branch1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][F][F][C][Branch1][Ring1][C][=O][O][C][Branch1][C][C][C][C].[C][O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=C(C=C3)C(C)(F)F)C(C=O)OC(C)C)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][=Branch2][Ring1][=Branch1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][F][F][C][Branch1][Ring1][C][=O][O][C][Branch1][C][C][C][C] |
CC/C=C\C(=NC)C(C)C1CCCCN1 | [C][C][/C][=C][\C][=Branch1][Ring1][=N][C][C][Branch1][C][C][C][C][C][C][C][N][Ring1][=Branch1] |
CC1=CC2C(C=C1)C(=O)N(C(=C2C3=C(C(=C(C=C3)Br)F)Cl)CC=O)C.CC(C)(C)O.CO.C#C | [C][C][=C][C][C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][=Branch2][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Branch1][=N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Br][F][Cl][C][C][=O][C].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O].[C][#C] |
CC1=CC2C(C=C1)C(=O)N(C(=C2C3=C(C(=C(C=C3)Br)F)Cl)CC=O)C | [C][C][=C][C][C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][=Branch2][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Branch1][=N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Br][F][Cl][C][C][=O][C] |
CC1=CC(=NO1)COC(C2=C(C3=C(C=CC(=C3)Br)C(=O)N2C)C4=CC=C(C=C4)Cl)C(=O)O | [C][C][=C][C][=Branch1][Branch1][=N][O][Ring1][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][O] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC=CC4=C(C=CN=C43)C.CC(C)(C)O.CO.C#C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][C].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O].[C][#C] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC=CC4=C(C=CN=C43)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][C] |
CCC1=CC=C(C=C1)C2=C(N(C(=O)C3C2(C=C(C=C3)Cl)C)C)C(C(=O)O)OC4(CCC4)C | [C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch2][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][Ring1][#Branch1][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC=C(C=C3)SC.CC(C)(C)O.CO.C#C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][C].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O].[C][#C] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC=C(C=C3)SC | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][S][C] |
CC.C/C=C(\C=NC)/C1=CC2=C(C=C1)C(=C(N(C2=O)C)[C@H](C=O)OC(C)(C)C)C3=C(C4=C(CCCO4)C=C3)Cl.CO | [C][C].[C][/C][=C][Branch1][Ring2][\C][=N][C][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][#Branch2][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C@H1][Branch1][Ring1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][#C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl].[C][O] |
C/C=C(\C=NC)/C1=CC2=C(C=C1)C(=C(N(C2=O)C)[C@H](C=O)OC(C)(C)C)C3=C(C4=C(CCCO4)C=C3)Cl | [C][/C][=C][Branch1][Ring2][\C][=N][C][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][#Branch2][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C@H1][Branch1][Ring1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][#C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl] |
CCCC1=C(C=CC(=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)F)C)CC=O)OC.CC(C)(C)OC | [C][C][C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][F][C][C][C][=O][O][C].[C][C][Branch1][C][C][Branch1][C][C][O][C] |
CCCC1=C(C=CC(=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)F)C)CC=O)OC | [C][C][C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][F][C][C][C][=O][O][C] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC=C(C=C3)Cl.CC(C)(C)O.CO.C#C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O].[C][#C] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC=C(C=C3)Cl | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl] |
CC1=C(N(C(=C(C1=O)C2=CC3=C(C=C2)N=CS3)C)C4=CC5=C(C=C4)OCCC5)C(C(=O)O)OC(C)(C)C | [C][C][=C][Branch2][Ring2][S][N][Branch2][Ring1][N][C][=Branch2][Ring1][#Branch1][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][=C][S][Ring1][#Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=C(C=C3)OC)C(C)C(=O)O)C.CO | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][=Branch1][S][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C].[C][O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=C(C=C3)OC)C(C)C(=O)O)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][=Branch1][S][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C] |
CCCC(C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC=CS3)C(=O)O | [C][C][C][C][Branch2][Ring2][C][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][O] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC(=O)O)C3=C4C5=C(CCC5=CC=N4)C=C3.CC(C)(C)O.C#C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][C][C][C][Ring1][Branch1][=C][C][=N][Ring1][=Branch2][C][=C][Ring1][N].[C][C][Branch1][C][C][Branch1][C][C][O].[C][#C] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC(=O)O)C3=C4C5=C(CCC5=CC=N4)C=C3 | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][C][C][C][Ring1][Branch1][=C][C][=N][Ring1][=Branch2][C][=C][Ring1][N] |
CC(C)O.CC(C=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CN=C(C=C3)Cl.CO | [C][C][Branch1][C][C][O].[C][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][N][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl].[C][O] |
CC(C=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CN=C(C=C3)Cl | [C][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][N][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl] |
CC1=CC(=C(O1)C(F)(F)F)C(=O)NC2=C(C(=C(N(C2=O)C)CC(=O)O)C3=CC=C(C=C3)Cl)C | [C][C][=C][C][=Branch1][#C][=C][Branch1][Ring2][O][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][=C][Branch2][Ring1][P][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C] |
CCC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C)C)CC=O.CC(C)O.CO.C#C | [C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C][=O].[C][C][Branch1][C][C][O].[C][O].[C][#C] |
CCC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C)C)CC=O | [C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C][=O] |
CCCN1C=C(C=N1)C2=C(C(=C(N(C2=O)C)CC(=O)O)C3=CC4=C(C=C3)OCCN4CC(C)(C)[O-])C | [C][C][C][N][C][=C][Branch1][Branch1][C][=N][Ring1][Branch1][C][=C][Branch2][Ring2][#C][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][C][C][Branch1][C][C][Branch1][C][C][O-1][C] |
CCCN1C=C(C=N1)C2=C(C(=C(N(C2=O)C)CC(=O)O)C3=CC4=C(C=C3)OCCN4CC(C)(C)O)C | [C][C][C][N][C][=C][Branch1][Branch1][C][=N][Ring1][Branch1][C][=C][Branch2][Ring2][#C][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C] |
CC(C)OC(C=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC4=C(C=C3)OCCO4.CO | [C][C][Branch1][C][C][O][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][Branch2].[C][O] |
CC(C)OC(C=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1C)C3=CC4=C(C=C3)OCCO4 | [C][C][Branch1][C][C][O][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][Branch2] |
CCC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C)C)C(C=O)OCC.CO | [C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Branch1][Ring1][C][=O][O][C][C].[C][O] |
CCC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C)C)C(C=O)OCC | [C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Branch1][Ring1][C][=O][O][C][C] |
CC1=C(N(C(=C(C1=O)OC2=CC=CC=C2)C)C3CCSCC3)C(C(=O)O)OC(C)(C)C | [C][C][=C][Branch2][Ring1][P][N][Branch2][Ring1][Branch1][C][=Branch1][P][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][S][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C] |
CCCC(C)(C)OCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1C)C3=CC=C(C=C3)CC.CO | [C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C].[C][O] |
CCCC(C)(C)OCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1C)C3=CC=C(C=C3)CC | [C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C] |
CC(C)(C)OC(C1=C(C2=C(C=C(C=C2)N)C(=O)N1C)C3=CC=C(C=C3)Cl)C(=O)O | [C][C][Branch1][C][C][Branch1][C][C][O][C][Branch2][Ring2][=Branch1][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][O] |
CC1=C(N(C(=C(C1=O)SC2=CC=CC=C2)C)C3CCSCC3)C(C(=O)O)OC(C)(C)C | [C][C][=C][Branch2][Ring1][P][N][Branch2][Ring1][Branch1][C][=Branch1][P][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][S][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C] |
CCCCCCC(C1=C(C(=C(C(=O)N1C)C=C)C=C)C2=CC=C(C=C2)C)C(=O)O | [C][C][C][C][C][C][C][Branch2][Ring2][Ring1][C][=C][Branch2][Ring1][Ring1][C][=Branch1][=C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O] |
CC1=C(C(=CC(=O)N1C2=CC=CC=C2)C(C(=O)OC)OC(C)(C)C)C3=CC=CC=C3 | [C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][P][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC(=C(C=C3)Cl)F.CC(C)(C)O.C#C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][F].[C][C][Branch1][C][C][Branch1][C][C][O].[C][#C] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=CC(=C(C=C3)Cl)F | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][#C][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C][C][=O][C][=C][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][F] |
CC1=C(C=C(C=C1)C2=C(N(C(=O)C(=C2C(C(=O)O)OC(C)(C)C)C(=O)N)C3=CC(=C(C=C3)C)C)C)C | [C][C][=C][Branch2][=Branch1][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Branch1][Ring2][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=Branch2][Ring1][Branch1][=C][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C] |
CC1=C(C=C(C=C1)C2=C(N(C(=C(C2=O)C)C(C(=O)O)OC(C)(C)C)C3CCCCC3)C)C | [C][C][=C][Branch2][Branch1][#Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][=N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C] |
CN1C(=C(C2=C(C1=O)C=CC(=CC2)Cl)C3=CC=C(C=C3)Cl)C(CC=C)C(=O)O | [C][N][C][=Branch2][Ring2][C][=C][Branch2][Ring1][Ring1][C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=Branch1][Branch1][=C][C][Ring1][=Branch2][Cl][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][O] |
CC1=C(N(C(=C(C1=O)SC2=CC=CC=C2)C)C3CCOCC3)C(C(=O)O)OC(C)(C)C | [C][C][=C][Branch2][Ring1][P][N][Branch2][Ring1][Branch1][C][=Branch1][P][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC1=C(C(=C(C(=O)N1C2=CC=CC=C2)C(=O)C)O)Br | [C][C][=C][Branch2][Ring1][=N][C][=Branch2][Ring1][Branch2][=C][Branch1][S][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][Br] |
CC.CC1=C(C=C(C=C1)N2C(=C(C(=C(C2=O)C)C(C)C(=O)O)C3=CC4=C(C=C3)OCCC4)C)C | [C][C].[C][C][=C][Branch2][Branch1][#Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch2][Ring2][=Branch2][=C][Branch2][Ring1][Branch1][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][C] |
CC1=C(C=C(C=C1)N2C(=C(C(=C(C2=O)C)C(C)C(=O)O)C3=CC4=C(C=C3)OCCC4)C)C | [C][C][=C][Branch2][Branch1][#Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch2][Ring2][=Branch2][=C][Branch2][Ring1][Branch1][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C][C] |
CC(C)(C)OC(C=O)C1=C(C(=C(C(=O)N1C)C=C)C(=C)F)C2=CC=C(C=C2)Cl.CO | [C][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][=C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=Branch1][C][=C][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl].[C][O] |
CC(C)(C)OC(C=O)C1=C(C(=C(C(=O)N1C)C=C)C(=C)F)C2=CC=C(C=C2)Cl | [C][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][=C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=Branch1][C][=C][F][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl] |
CC1=CC2=C(CCCO2)C=C1C3=C(N(C(=O)C4=CC=CC=C43)C)CC(=O)O.CC(C)(C)O.C#C | [C][C][=C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=C][Branch2][Ring1][Ring1][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][=Branch1][C][=O][O].[C][C][Branch1][C][C][Branch1][C][C][O].[C][#C] |
CC1=CC2=C(CCCO2)C=C1C3=C(N(C(=O)C4=CC=CC=C43)C)CC(=O)O | [C][C][=C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=C][Branch2][Ring1][Ring1][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][=Branch1][C][=O][O] |
CCCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1COC)C3=CC=C(C=C3)Cl | [C][C][C][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][Branch2][C][=C][Branch1][#Branch2][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][N][C][O][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl] |
CC1=C(C(=O)N(C(=C1C2=CC=C(C=C2)Cl)CC(=O)O)C)C(=O)NC[C@@H](C)C3=CC=CC=C3 | [C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][=Branch1][#C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)(C)O.CN1C(=C(C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCC(C4)(F)F)CC(=O)O.C#C | [C][C][Branch1][C][C][Branch1][C][C][O].[C][N][C][=Branch2][Ring2][=Branch1][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring2][C][Ring1][Branch2][Branch1][C][F][F][C][C][=Branch1][C][=O][O].[C][#C] |
CN1C(=C(C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCC(C4)(F)F)CC(=O)O | [C][N][C][=Branch2][Ring2][=Branch1][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring2][C][Ring1][Branch2][Branch1][C][F][F][C][C][=Branch1][C][=O][O] |
CC.C/C=C(\C=NC)/C1=CC2=C(C=C1)C(=C(N(C2=O)C)[C@H](C=O)OC(C)(C)C)C3=C(C4=C(C=C3)OCCC4)C.CO | [C][C].[C][/C][=C][Branch1][Ring2][\C][=N][C][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][#Branch2][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C@H1][Branch1][Ring1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C].[C][O] |
C/C=C(\C=NC)/C1=CC2=C(C=C1)C(=C(N(C2=O)C)[C@H](C=O)OC(C)(C)C)C3=C(C4=C(C=C3)OCCC4)C | [C][/C][=C][Branch1][Ring2][\C][=N][C][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][#Branch2][=C][Branch1][=Branch2][N][Branch1][Branch1][C][Ring1][Branch2][=O][C][C@H1][Branch1][Ring1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][C] |