molecule_smiles
stringlengths 2
3.43k
| SELFIES
stringlengths 5
9.02k
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CC(=O)N(C)/C(=C(/C1=CC2=C(C=C1)OCCC2)\C(=C\C=C)\C(=C)F)/CC=O.CC(C)(C)O.CO | [C][C][=Branch1][C][=O][N][Branch1][C][C][/C][=Branch2][Ring1][#C][=C][Branch1][P][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][\C][=Branch1][Ring2][=C][\C][=C][\C][=Branch1][C][=C][F][/C][C][=O].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O] |
CC(=O)N(C)/C(=C(/C1=CC2=C(C=C1)OCCC2)\C(=C\C=C)\C(=C)F)/CC=O | [C][C][=Branch1][C][=O][N][Branch1][C][C][/C][=Branch2][Ring1][#C][=C][Branch1][P][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][\C][=Branch1][Ring2][=C][\C][=C][\C][=Branch1][C][=C][F][/C][C][=O] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCC3)CC(=O)O)C)C(=O)N4CCC(CC4)C(F)(F)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][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CC(C)(C)O.CN1C(=C(C2=CC=CC=C2C1=O)C3=C4C5=C(CCC5=CC=N4)C=C3)CC(=O)O | [C][C][Branch1][C][C][Branch1][C][C][O].[C][N][C][=Branch2][Ring2][Ring2][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=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][=O][O] |
CN1C(=C(C2=CC=CC=C2C1=O)C3=C4C5=C(CCC5=CC=N4)C=C3)CC(=O)O | [C][N][C][=Branch2][Ring2][Ring2][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=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][=O][O] |
CCOC(C1CCCCC1)C2=CC=CC=N2.CCOC(C1=CC=CC=C1)C2=CC=CC=N2.CCOC(C1=CC=CC=N1)C2=CC=CC=N2 | [C][C][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1].[C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1].[C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CC(=O)N(C)/C(=C(/C1=CC(=C(C(=C1)F)Cl)F)\C(=C\C=C)\C=C)/CC=O.CC(C)(C)O.CO.C#C | [C][C][=Branch1][C][=O][N][Branch1][C][C][/C][=Branch2][Ring1][=C][=C][Branch2][Ring1][C][/C][=C][C][=Branch1][N][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][F][Cl][F][\C][=Branch1][Ring2][=C][\C][=C][\C][=C][/C][C][=O].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O].[C][#C] |
CC(=O)N(C)/C(=C(/C1=CC(=C(C(=C1)F)Cl)F)\C(=C\C=C)\C=C)/CC=O | [C][C][=Branch1][C][=O][N][Branch1][C][C][/C][=Branch2][Ring1][=C][=C][Branch2][Ring1][C][/C][=C][C][=Branch1][N][=C][Branch1][Branch2][C][=Branch1][Ring2][=C][Ring1][=Branch1][F][Cl][F][\C][=Branch1][Ring2][=C][\C][=C][\C][=C][/C][C][=O] |
CC.CC(=C)/C(=C\C=C)/COC | [C][C].[C][C][=Branch1][C][=C][/C][=Branch1][Ring2][=C][\C][=C][/C][O][C] |
CC(=C)/C(=C\C=C)/COC | [C][C][=Branch1][C][=C][/C][=Branch1][Ring2][=C][\C][=C][/C][O][C] |
CCCCCCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1C)C3=CC=CC=C3.CO | [C][C][C][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][C][=C][Ring1][=Branch1].[C][O] |
CCCCCCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1C)C3=CC=CC=C3 | [C][C][C][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][C][=C][Ring1][=Branch1] |
CC(C)(C)O[C@@H](C=O)C1=C(C2=C(C=C(C=C2)C3=CC=CN3C)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][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][P][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=C(C=C2)C3=CC=CN3C)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][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][Branch1][#C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl] |
CC(C)(C)O.CN1C(=C(C(=C(C1=O)C=C)C=C)C2=CC(=C3C(=C2Cl)CCCO3)F)CC=O.CO.C#C | [C][C][Branch1][C][C][Branch1][C][C][O].[C][N][C][=Branch2][Ring2][=Branch1][=C][Branch1][#C][C][=Branch1][#Branch2][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][C][=Branch1][#C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Cl][C][C][C][O][Ring1][Branch2][F][C][C][=O].[C][O].[C][#C] |
CN1C(=C(C(=C(C1=O)C=C)C=C)C2=CC(=C3C(=C2Cl)CCCO3)F)CC=O | [C][N][C][=Branch2][Ring2][=Branch1][=C][Branch1][#C][C][=Branch1][#Branch2][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][C][=Branch1][#C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Cl][C][C][C][O][Ring1][Branch2][F][C][C][=O] |
CC1=C(C(=O)N(C(=C1C2=C(C=C(C=C2)Cl)OC(C)(C)C)CC(=O)O)C)C3=CC(=C(C=C3)OC(C)C)F | [C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][Branch2][Ring2][Ring2][C][=Branch2][Ring1][#Branch2][=C][Ring1][#Branch1][C][=C][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][=C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][F] |
CC.CCOC1=CC(=C(C=C1C)C)F | [C][C].[C][C][O][C][=C][C][=Branch1][#Branch2][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][F] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCN3)CC(=O)O)C)C(=O)NCCC4=CC=CC=C4 | [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][N][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC1=CC(=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C)C)C(COC(C)C)C=O)C | [C][C][=C][C][=Branch2][Ring2][#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][Branch2][C][O][C][Branch1][C][C][C][C][=O][C] |
CC1=C(C(=C(N(C1=O)C2=CC=CC=C2)C)C3=CC=C(C=C3)Cl)C(C(=O)O)OC(C)(C)C | [C][C][=C][Branch2][Ring2][Ring1][C][=Branch2][Ring1][Ring2][=C][Branch1][S][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC1(COC2=C1C=C(C=C2)C3=C(N(C(=O)C4=CC=CC=C43)C)CC=O)C.CC(C)(C)O.CO.C#C | [C][C][Branch2][Ring2][=Branch2][C][O][C][=C][Ring1][Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][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][=O][C].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O].[C][#C] |
CC1(COC2=C1C=C(C=C2)C3=C(N(C(=O)C4=CC=CC=C43)C)CC=O)C | [C][C][Branch2][Ring2][=Branch2][C][O][C][=C][Ring1][Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][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][=O][C] |
CC1=C(C=C(C=C1)C2=C(N(C(=C(C2=O)C)CO)C3=CC(=C(C=C3)C)C)C)C | [C][C][=C][Branch2][Ring2][=N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][#C][N][Branch1][=C][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][O][C][=C][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][C] |
CC1=C(C=C(C=C1)N(C)/C(=C(/C2=CC=C(C=C2)Cl)\C(=C(\C)/C=O)\C(CC(C)(C)C)C(=O)O)/C)C | [C][C][=C][Branch2][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][C][C][/C][=Branch2][Ring2][=Branch2][=C][Branch1][N][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][\C][=Branch1][#Branch1][=C][Branch1][C][\C][/C][=O][\C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][/C][C] |
CC(C)(C)OC(C=O)C1=C(C(=C(C(=O)N1C)C(=C)F)C=C)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][P][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=Branch1][C][=C][F][C][=C][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)F)C=C)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][P][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=Branch1][C][=C][F][C][=C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=C(C=C(C=C3)Cl)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][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][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=C(C=C(C=C3)Cl)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][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][Cl] |
CCCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1C)C3=CC=C(C=C3)SC | [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][S][C] |
CC1=C(C=C(C=C1)N2C(=C(C(=O)C(=C2C(C(=O)O)OC(C)(C)C)C)C3=CC=CC=C3)C)C | [C][C][=C][Branch2][Branch1][Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch2][Ring2][#Branch2][=C][Branch2][Ring1][=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][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C] |
C/C=C(/C)\C=C(/N(C)C=O)\OS(=O)(=O)C(F)(F)F | [C][/C][=C][Branch1][C][/C][\C][=C][Branch1][#Branch1][/N][Branch1][C][C][C][=O][\O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
C1C(=CC(=O)OC1=O)C#N | [C][C][=Branch1][O][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O][C][#N] |
CC(C)(C)O[C@H](C1=C(C2=C(C=CC=C2F)C(=O)N1C)C3=C4C5=C(C=C3)OCCC5=CC=N4)C(=O)O | [C][C][Branch1][C][C][Branch1][C][C][O][C@H1][Branch2][Ring2][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Branch1][Branch2][C][=C][C][=C][Ring1][=Branch1][F][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)O[C@@H](C=O)C1=C(C2=C(C=C(C=C2)C3=CCCC(=C3)OC)C(=O)N1C)C4=C(C5=C(C=C4)OCCN5)Cl.CO | [C][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Branch1][Ring1][C][=O][C][=C][Branch2][Ring2][Ring1][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][Cl].[C][O] |
CC(C)(C)O[C@@H](C=O)C1=C(C2=C(C=C(C=C2)C3=CCCC(=C3)OC)C(=O)N1C)C4=C(C5=C(C=C4)OCCN5)Cl | [C][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Branch1][Ring1][C][=O][C][=C][Branch2][Ring2][Ring1][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][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=C(C3=C(C=C2)OCCC3)OC(C)(C)C)CC(=O)O)C)C4=CC(=CC=C4)OCC5CC5 | [C][C][=C][Branch2][Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring2][=Branch2][C][=Branch2][Ring1][#C][=C][Ring1][#Branch1][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][C][C][=C][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Ring1] |
CN1C(=CC2=CC=CC=C2C1=O)C(C#N)O | [C][N][C][=Branch1][=C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][Ring1][C][#N][O] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCC3)CC(=O)O)C)C4=CC=CC(=C4)C5=C(N=CC=C5)OC | [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][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][#Branch1][N][=C][C][=C][Ring1][=Branch1][O][C] |
CC1=C(C=C(C=C1)N2C(=C(C(=C(C2=O)CC(=O)NC)C(C(=O)O)OC(C)(C)C)C3=CC=C(C=C3)Cl)C)C | [C][C][=C][Branch2][Branch1][S][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch2][Branch1][C][=C][Branch2][Ring2][Ring1][C][=Branch1][#C][=C][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][C][C] |
CCCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1C)C3=CC=C(C=C3)Br.CO | [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][Br].[C][O] |
CCCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1C)C3=CC=C(C=C3)Br | [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][Br] |
C/C(=C(\CC(=O)O)/C(=C(/C)\N(C)C(=S)NC)/C1=CC2=C(C=C1)OCCC2)/C=O.CC(C)(C)O | [C][/C][=Branch2][Ring2][O][=C][Branch1][#Branch1][\C][C][=Branch1][C][=O][O][/C][=Branch1][#C][=C][Branch1][C][/C][\N][Branch1][C][C][C][=Branch1][C][=S][N][C][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][/C][=O].[C][C][Branch1][C][C][Branch1][C][C][O] |
C/C(=C(\CC(=O)O)/C(=C(C)N(C)C(=S)NC)C1=CC2=C(C=C1)OCCC2)/C=O | [C][/C][=Branch2][Ring2][O][=C][Branch1][#Branch1][\C][C][=Branch1][C][=O][O][/C][=Branch1][#C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=S][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][/C][=O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CN=C(C=C3)OC)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][=C][C][=Branch1][S][=C][Ring1][=Branch2][C][=C][N][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][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=C(C=C3)OC)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][=C][C][=Branch1][S][=C][Ring1][=Branch2][C][=C][N][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][Ring1][C][=O][O][C][Branch1][C][C][C][C] |
CC.CC(=C)/C=C/1\C(=C)OC(=O)N1 | [C][C].[C][C][=Branch1][C][=C][/C][=C][\C][=Branch1][C][=C][O][C][=Branch1][C][=O][N][/-Ring1][#Branch1] |
CC(=C)/C=C/1\C(=C)OC(=O)N1 | [C][C][=Branch1][C][=C][/C][=C][\C][=Branch1][C][=C][O][C][=Branch1][C][=O][N][/-Ring1][#Branch1] |
CC1=C(C(=O)N(C(C1C2=CC3=C(C=C2)OCCN3)CC(=O)O)C)C(=O)NC4(CCCCC4)C | [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][N][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C] |
CC(C)(C)OC1CC1(C2=C(C3=C(C=C(C=C3)C4=CC=NC=C4)C(=O)N2C)C5=C(C6=C(C=C5)OCCN6)Cl)C(=O)O | [C][C][Branch1][C][C][Branch1][C][C][O][C][C][C][Ring1][Ring1][Branch2][Branch1][Branch1][C][=C][Branch2][Ring1][=N][C][=C][Branch1][P][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][P][C][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][Cl][C][=Branch1][C][=O][O] |
CC1=C(C(=O)N(C(=C1C2=CC=C(C=C2)Cl)CC(=O)OC3CC(C3)(C)[O-])C)C(=O)NC4(CCCC4)C | [C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][Branch2][Ring2][Ring2][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][C][Branch1][Ring2][C][Ring1][Ring2][Branch1][C][C][O-1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C] |
CC1=C(C(=O)N(C(=C1C2=CC=C(C=C2)Cl)CC(=O)OC3CC(C3)(C)O)C)C(=O)NC4(CCCC4)C | [C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][Branch2][Ring2][Ring2][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][C][Branch1][Ring2][C][Ring1][Ring2][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C] |
CC(=O)OC(C1CCCCC1)C2=CC=CC=N2.CC(=O)OC(C1=CC=CC=C1)C2=CC=CC=N2.CC(=O)OC(C1=CC=CC=N1)C2=CC=CC=N2 | [C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1].[C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1].[C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=C(C4=C(CCCO4)C=C3)Cl)CC=O)C.CC(C)(C)O.C#C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C][=Branch2][Ring1][#Branch1][=C][Ring1][=Branch2][C][=C][Branch1][#C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl][C][C][=O][C].[C][C][Branch1][C][C][Branch1][C][C][O].[C][#C] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=C(C4=C(CCCO4)C=C3)Cl)CC=O)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][=C][C][=Branch2][Ring1][#Branch1][=C][Ring1][=Branch2][C][=C][Branch1][#C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl][C][C][=O][C] |
CC.CC(=C)/C(=C/1\C(=C)OCCN1C)/C | [C][C].[C][C][=Branch1][C][=C][/C][=Branch1][=N][=C][\C][=Branch1][C][=C][O][C][C][N][/-Ring1][#Branch1][C][/C] |
CN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=C(C=C3)Cl)C(C(=O)O)OCC#C | [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][C][#C] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3C)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][Ring1][C][=Branch1][=N][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=O][C].[C][C][Branch1][C][C][O].[C][O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3C)CC=O)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=Branch1][=N][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=O][C] |
CCCN1C=C(C=N1)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][N][C][=C][Branch1][Branch1][C][=N][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] |
CC(C)(C)OC(C=O)C1=C(C2=C(C=C(C=C2)[NH3+])C(=O)N1C)C3=CC=C(C=C3)Cl.CO | [C][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][NH3+1][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl].[C][O] |
CC(C)(C)OC(C=O)C1=C(C2=C(C=C(C=C2)N)C(=O)N1C)C3=CC=C(C=C3)Cl | [C][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][Ring1][C][=O][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] |
CCC.C#C.C1COC(=O)N1/C(=C/O)/OSI | [C][C][C].[C][#C].[C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][/C][=Branch1][Ring1][=C][/O][/O][S][I] |
C1COC(=O)N1/C(=C/O)/OSI | [C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][/C][=Branch1][Ring1][=C][/O][/O][S][I] |
CC1=C(C=C(C=C1)N2C(=CC(=O)C(=C2CO)O)C)C | [C][C][=C][Branch2][Ring1][N][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][#C][=C][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Ring1][#Branch1][C][O][O][C][C] |
CC1=C(N(C(=C(C1=O)C2=CC3=C(C=C2)N=CS3)C)C4CCCCC4)C(C(=O)O)OC(C)(C)C | [C][C][=C][Branch2][Ring2][Branch2][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][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC.C/C(=C(/C)\C(=C(\C(C(=O)O)OC(C)(C)C)/N(C)C=O)\C1=CC=C(C=C1)Cl)/C=C/C2=CC=CC=C2 | [C][C].[C][/C][=Branch2][Ring2][#C][=C][Branch1][C][/C][\C][=Branch2][Ring1][N][=C][Branch2][Ring1][C][\C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C][/N][Branch1][C][C][C][=O][\C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
C/C(=C(/C)\C(=C(\C(C(=O)O)OC(C)(C)C)/N(C)C=O)\C1=CC=C(C=C1)Cl)/C=C/C2=CC=CC=C2 | [C][/C][=Branch2][Ring2][#C][=C][Branch1][C][/C][\C][=Branch2][Ring1][N][=C][Branch2][Ring1][C][\C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C][/N][Branch1][C][C][C][=O][\C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC.CC.CC1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3)C | [C][C].[C][C].[C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][=C][Ring1][#Branch1][C] |
CC1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3)C | [C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][Branch1][C][=C][Ring1][#Branch1][C] |
CC1=C(C=C(C=C1)N2C(=C(C(=O)C(=C2CO)C)Br)C)C | [C][C][=C][Branch2][Ring1][S][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch2][Ring1][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=Branch1][=Branch1][=C][Ring1][#Branch1][C][O][C][Br][C][C] |
CC(C)(C)O.CN1C(=C(C2=CC=CC=C2C1=O)C3=C(C=C(C=C3)CF)F)CC(=O)O.C#C | [C][C][Branch1][C][C][Branch1][C][C][O].[C][N][C][=Branch2][Ring1][#C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Branch1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][F][F][C][C][=Branch1][C][=O][O].[C][#C] |
CN1C(=C(C2=CC=CC=C2C1=O)C3=C(C=C(C=C3)CF)F)CC(=O)O | [C][N][C][=Branch2][Ring1][#C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Branch1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][F][F][C][C][=Branch1][C][=O][O] |
CCC(C)(C)O[C@@H](C1=C(C2=CC=CC=C2C(=O)N1C)C3=C4C5=C(C=C3)OCCC5=CC=N4)C(=O)O | [C][C][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Branch2][Ring2][#Branch2][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][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(C1=CC=CC=C1)C2=CC=CC3=C2C=CCC3 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][C][Ring1][=Branch1] |
CC1=CC2=C(CCCO2)C=C1C3=C(N(C(=O)C4=C3C(=CC=C4)F)C)[C@H](C(=O)O)OC(C)(C)C | [C][C][=C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=C][Branch2][Ring1][#Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][F][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C] |
CC1=C(C(=O)N(C(=C1C2=CCCCC2)C(C(=O)O)OC(C)(C)C)C)/C=C/C3=CC=C(C=C3)Cl | [C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][S][C][=Branch1][N][=C][Ring1][#Branch1][C][=C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][C][C][/C][=C][/C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=C(C4=CC=CC=C4C=C3)Cl.CC(C)(C)O.CO | [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][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC=O)C3=C(C4=CC=CC=C4C=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][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][Cl] |
CC1=C(C=C(C=C1)N2C=C(C(=O)C=C2CO)O)C | [C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][Branch1][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][O][O][C] |
CC(=O)N(C)/C(=C(/C1=C(C=C(C=C1)F)Cl)\C(=C\C=C)\C=C)/CC=O.CC(C)(C)O.CO.C#C | [C][C][=Branch1][C][=O][N][Branch1][C][C][/C][=Branch2][Ring1][#Branch2][=C][Branch1][#C][/C][=C][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][F][Cl][\C][=Branch1][Ring2][=C][\C][=C][\C][=C][/C][C][=O].[C][C][Branch1][C][C][Branch1][C][C][O].[C][O].[C][#C] |
CC(=O)N(C)/C(=C(/C1=C(C=C(C=C1)F)Cl)\C(=C\C=C)\C=C)/CC=O | [C][C][=Branch1][C][=O][N][Branch1][C][C][/C][=Branch2][Ring1][#Branch2][=C][Branch1][#C][/C][=C][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][F][Cl][\C][=Branch1][Ring2][=C][\C][=C][\C][=C][/C][C][=O] |
CC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=C(C=C3)Br)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][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Br][C][Branch1][Ring1][C][=O][O][C][Branch1][C][C][C][C] |
CC(C)(C)O.CN1C(=C(C2C=C(C=CC2C1=O)F)C3=C(C(=C(C=C3)Br)F)Cl)CC=O.C#C | [C][C][Branch1][C][C][Branch1][C][C][O].[C][N][C][=Branch2][Ring2][Ring2][=C][Branch1][S][C][C][=C][Branch1][#Branch2][C][=C][C][Ring1][=Branch1][C][Ring1][#Branch2][=O][F][C][=C][Branch1][=N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Br][F][Cl][C][C][=O].[C][#C] |
CN1C(=C(C2C=C(C=CC2C1=O)F)C3=C(C(=C(C=C3)Br)F)Cl)CC=O | [C][N][C][=Branch2][Ring2][Ring2][=C][Branch1][S][C][C][=C][Branch1][#Branch2][C][=C][C][Ring1][=Branch1][C][Ring1][#Branch2][=O][F][C][=C][Branch1][=N][C][=Branch1][=Branch2][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Br][F][Cl][C][C][=O] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCC3)CC(=O)O)C)C4=C(C=C(C=C4)Br)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][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Br][F] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCN3CC(C)(C)[O-])CC(=O)O)C)C4=CN(N=C4)CC(C)C | [C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][Branch2][Ring2][#Branch1][C][=Branch2][Ring1][=N][=C][Ring1][#Branch1][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][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][C][C] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCN3CC(C)(C)O)CC(=O)O)C)C4=CN(N=C4)CC(C)C | [C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][Branch2][Ring2][#Branch1][C][=Branch2][Ring1][=N][=C][Ring1][#Branch1][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][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][C][C] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCC3)CC(=O)O)C)C4=CC=CC(=C4)C5=CN(N=C5)CC(C)C | [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][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][N][Branch1][Branch1][N][=C][Ring1][Branch1][C][C][Branch1][C][C][C] |
CC1=CC2=C(C=C1)C(=C(N(C2=O)C)CC(=O)O)C3=C(C=C(C=C3)Br)F | [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][Branch1][#Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Br][F] |
CCC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)C)C)C(C=C)OC(C)CC | [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][=C][O][C][Branch1][C][C][C][C] |
CC(C)(C)O[C@H](C1=C(C2=C(C=CC=C2F)C(=O)N1C)C3=C(C4=C(C=C3)OCCC4)F)C(=O)O | [C][C][Branch1][C][C][Branch1][C][C][O][C@H1][Branch2][Ring2][N][C][=C][Branch2][Ring1][Ring2][C][=C][Branch1][Branch2][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][Ring1][N][C][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][F][C][=Branch1][C][=O][O] |
CC1=C(N(C(=C(C1=O)C2=CC3=C(C=C2)N=CN3)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][N][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] |
CCCCCC(C=O)C1=C(C2=C(C=CC(=C2)C)C(=O)N1C)C3=CC(=CC=C3)OC | [C][C][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][=Branch1][=Branch1][=C][C][=C][Ring1][=Branch1][O][C] |
CC1=C(C=C(C=C1)N2C=C(CC=C2CBr)O)C | [C][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][Branch1][Branch2][C][C][=C][Ring1][=Branch1][C][Br][O][C] |
CC1=C(C(=O)N(C(C1C2=C(C3=C(C=C2)OCCN3)Cl)CC(=O)O)C)C(=O)NCCC4=CC=CC=C4 | [C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][P][C][Branch2][Ring1][#Branch1][C][Ring1][#Branch1][C][=C][Branch1][#C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Ring1][Branch2][Cl][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC1=C(C(=O)N(C(=C1C2=CC3=C(C=C2)OCCN3)CC(=O)O)C)C(=O)NC(C)(C)C4CC4 | [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][N][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Ring1] |
CC1=C(C=CC2=C1CCCC2)C3=C(N(C(=O)C4=CC=CC=C43)C)CC(=O)O.CC(C)(C)O.C#C | [C][C][=C][Branch1][=N][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][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=C(C=CC2=C1CCCC2)C3=C(N(C(=O)C4=CC=CC=C43)C)CC(=O)O | [C][C][=C][Branch1][=N][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][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] |
CC(C)(C)OCC(C=O)C1=C(C2=C(C=C(C=C2)CO)C(=O)N1C)C3=CC=C(C=C3)Cl.CO | [C][C][Branch1][C][C][Branch1][C][C][O][C][C][Branch1][Ring1][C][=O][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][O][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][N][Ring1][=N][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][Cl].[C][O] |