MATERIAL SUPLEMENTARIO DE Y. MACHADO et col.
482
Smiles
Nombre
S(=O)(=O)(NC(=O)NCCC)c1ccc(cc1)Cl
CHLORPROPAMIDE
C(=O)(c1c(cc(cc1)OC)O)c1c(O)cccc1
DIOXYBENZONE
c1(c(c2c(c3c(cc2oc1=O)OC(C=C3)(C)C)OC)O)c1ccc(cc1)OC
ROBUSTIC ACID
c1(C(=O)Oc2c(c(c(c(c2)C)C(=O)OC)O)C)c(c(c(cc1C)O)C=O)O
ATRANORIN
c1(C(=O)Oc2cc(c(c(c2)C)C(=O)O)O)c(cc(cc1C)OC)O
EVERNIC ACID
n1(C2C([C@@H]([C@H](O2)C)O)O)c(=O)[nH]c(=O)c(c1)F
5-FLUORO-5'-DEOXYURIDINE
c1(C(=O)Oc2c(c(c(c(c2)C)C(=O)O)O)C)c(c(c(cc1C)OC)C)OC
DIFFRACTAIC ACID
c1(C(=O)Oc2c(c(c(c(c2)C)O)C(=O)O)C)c(c(c(cc1C)OC)C=O)O
BAEOMYCESIC ACID
S(=O)(=O)(NC(=O)c1ccccc1)c1ccc(N)cc1
SULFABENZAMIDE
C12(C(C(=C)C[C@@H](C1C(CCC2)(C)C)O)CC[C@@](C=C)(O)C)C
LARIXOL
C1(=CC(=O)C(=CC1=O)OC)C(c1ccc(cc1)O)C=C
DALBERGIONE, 4-METHOXY-
4'-HYDROXY-
C1(=CC(=O)C(=CC1=O)OC)C(c1ccc(cc1)OC)C=C
4,4'-
DIMETHOXYDALBERGIONE
c12c(c3c(c(c2O)CC=C(C)C)OC(C=C3)(C)C)occ(c1=O)c1ccc(cc1)O
OSAJIN
[C@]12([C@](C(=CC(=O)C1C(CCC2)(C)C)C)(CCc1cocc1)O)C
SOLIDAGENONE
c12c(C(=O)c3c(C1=O)cccc3)c(c(cc2O)O)O
PURPURIN
c12c(=O)c3c(c(c(cc3oc2cc(c(c1O)CC=C(C)C)OC)OC)O)CC=C(C)C
beta-MANGOSTIN
C12=CCc3c(C2CCC2(C1CCC2=O)C)ccc(c3)O
EQUILIN
C1(=Nc2c(Nc3c1cccc3)ccc(c2)Cl)N1CCN(CC1)C
CLOZAPINE
c1(c(c(c(c(c1Cl)O)Cl)Cl)Cl)Cl
PENTACHLOROPHENOL
[C@@]12(C[C@H](OC(=O)[C@@H]1CC[C@@]1(C2C(=O)[C@H](CC1C(=O)OC)O)C)c1cocc1)C
SALVINORIN B
c1(C(=O)c2ccccc2)c(cc(c(c1)O)OC)O
CEAROIN
c1cc(c2c(c1)C(=O)C(=CC2=O)C)O
PLUMBAGIN
[C@]12(C([C@@]([C@@H](CC2)O)(CO)C)CCC(=C)[C@H]1C/C=C\1/C(=O)OC[C@H]1O)C
ANDROGRAPHOLIDE
c12C(=O)O[C@@H]([C@H]3c4c(c5c(cc4CCN3C)OCO5)OC)c1ccc(c2OC)OC
NOSCAPINE
HYDROCHLORIDE
[n+]12c(c3cc(c(cc3cc2)OC)OC)cc2c(c1C)cc(c(c2)OC)OC
CORALYNE CHLORIDE
