formula
stringlengths 2
21
| smiles
stringlengths 4
474
| label
int64 0
1
|
|---|---|---|
C44H50N4O10
|
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C\[C@@H](O)[C@H]12
| 0
|
C24H26ClN3O2
|
C[C@]12CC/C(=N/OCC(=O)O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO
| 0
|
C23H34O6
|
COC1=CC(CCNC(C)=O)=CC(OC)=C1OC
| 0
|
C22H18N4O3
|
CN1C2=CC(C(=O)C3=CC=CC=C3)=CC(C(N)=O)=C2NC2=CC=CC(C(N)=O)=C21
| 1
|
C20H30O13
|
CC1=C(C2=CC=CC=C2)C(=O)C2=CC=C3OCN(C[C@@H]4CCCO4)CC3=C2O1
| 0
|
C9H12O4
|
C/C=C1/CN[C@@H]2CC3=C(NC4=CC=CC=C34)[C@@H](C3=C(OC)C=C4NC5=C(CC[N@]6C[C@H]7C[C@H](CC)[C@H]6[C@@]5(C(=O)OC)C7)C4=C3)C[C@@H]1C2C(=O)OC
| 0
|
C59H100O26
|
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCC
| 0
|
C34H40O8
|
CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)N1C(=O)NC2=CC=CC=C2C1=O)C(=O)O
| 0
|
C23H32N4O3
|
CC(=O)N1CCC(N2CC3(CN(C(=O)C4=CC=CC=C4)C[C@@H]4COCCN43)C2)CC1
| 1
|
C10H16O
|
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
| 0
|
C26H28O11
|
CC(=O)C1=CC=C(NC(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C2=CC=CS2)C=C1
| 0
|
C45H74N10O16
|
CN[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCN)CC(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)(C)O
| 1
|
C17H26N2O5S
|
COC(=O)[C@H](CCSC)NC(=O)NCCC1=CC=C(OC)C(OC)=C1
| 1
|
C16H22O
|
O=C1CCC2=C3C1=C(O)C=CC3=C1C=CC(O)=C3C(=O)CCC2=C31
| 0
|
C24H21N3O4
|
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
| 0
|
C3H6N2O2
|
N[C@@H]1CON=C1O
| 1
|
C23H29NO4
|
OC1=CC=C([C@H]2OC3=CC(O)=C(O)C=C3C[C@H]2O)C=C1O
| 0
|
C22H34O5
|
C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(C)=O)[C@H]42)[C@@H](C)CO[C@@]3(C)CC[C@H]1O
| 1
|
C24H15BrClNO2
|
C=C(C)CC[C@@H](O)[C@]1(C)OC(=O)C23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O[C@@H]7OC[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]2(C)C[C@H](OC(C)=O)[C@@H]31
| 0
|
C17H14N2O4
|
C=C1C(=O)O[C@H]2C=C(C)[C@@H](OC(=O)C(=O)C(C)C)C/C=C(/C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]12
| 0
|
C26H39N5O2
|
CN(C1=CC=CC=C1NC(C=O)=NCC(N)=O)C1C[C@H]2CC[C@@H](C1)N2C1CCCCCCC1
| 1
|
C27H29Br4N7O7.ClH
|
CC1=NC=C(CO)C2=C1OC(C(=O)C1=CC=C3OCCOC3=C1)=C2
| 0
|
C17H23NO5
|
COC1=CC(CCC(=O)N2CCCCC2=O)=CC(OC)=C1OC
| 1
|
C6H10N2O2
|
CC1=N[C@@H](C(=O)O)CCN1
| 1
|
C51H78O23
|
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C(C=O)=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4[C@H](O)C(=O)[C@]3(C)[C@H]1[C@@H]2C
| 1
|
C45H81O19P3
|
CCC=CCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O[C@H]1C(O)C(O)C(OP(=O)(O)O)[C@@H](OP(=O)(O)O)C1O
| 1
|
C45H86O6
|
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
| 0
|
C39H38N2O13
|
COC1=CC(O)=C([C@H](/C=C/C[C@@H](O)CCC2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C(O)=C1C(=O)/C=C/C1=CC=C(O)C=C1
| 0
|
C20H25NO6
|
COC1=CC=CC=C1C1=C(C)N=C(N)N=C1C1=CC=C(OCC2=CC=C(Cl)C=C2Cl)C=C1O
| 0
|
C23H34O9
|
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCC
| 0
|
C66H128O6
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
| 0
|
C33H46N4O5
|
OC1=CC=C([C@H]2OC3=CC(O)=CC=C3[C@H](C3=CC4=C(C=C3O)O[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O)C4)[C@@H]2O)C=C1
| 0
|
C16H18N2O2
|
CC[C@H](C)[C@H]1NC(=O)C2=CC3=CC=C(O)C=C3[N+](C)=C21
| 1
|
C24H34O8
|
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32O4
| 0
|
C20H24O5
|
C=C(C)[C@H]1CC[C@]23CO[C@]4(OO2)C2=C(C(=O)C(C)=C[C@@H]1[C@H]23)[C@@H](O)[C@@H]4C
| 1
|
C28H40N4O2S
|
C[C@H](C(=O)N1CCN(C)CC1)[C@@H]1CC[C@@]2(C)CC3=C(N=C(NCC4=CC=CC=C4)S3)[C@@H](C)[C@@H]2[C@H]1O
| 1
|
C25H42O5
|
CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C
| 1
|
C27H43N3O3S2
|
C[C@]12CCSSC[C@]3(CCCC4=C5CC1C[C@@H](CO)[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3
| 1
|
C16H19NO3
|
C[C@H]1CC[C@]2(C(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
| 0
|
C53H102O6
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCC
| 0
|
C25H33N5O
|
CC(C)C[C@H](C(=O)N[C@H]1/C(O)=N/[C@@H](CC(N)=O)/C(O)=N/[C@H]2/C(O)=N/[C@H]3/C(O)=N/[C@H](/C(O)=N/[C@H](C(=O)O)C4=CC(O)=CC(O)=C4C4=CC3=CC=C4O)[C@H](O)C3=CC=C(OC4=CC2=CC(=C4O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2OC2C[C@](C)(N)[C@H](O)[C@H](C)O2)OC2=CC=C(C=C2Cl)[C@H]1O)C(Cl)=C3)[N+](C)(C)C
| 0
|
C20H20O4
|
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](O)C2
| 0
|
C19H17N3O3
|
CCOC1=CC=C(C2=CN3C4=CC=CC=C4N(C)C3=C2)C=C1[N+](=O)[O-]
| 1
|
C14H25N3O15P2
|
NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)C=C1
| 1
|
C29H48O3
|
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
| 1
|
C26H34O6
|
COC1=CC2=C(OC(=O)C=C2)C(OC)=C1OC[C@@]1(C)[C@@H](C)CCC(=C(C)C)[C@@H]1CCC=O
| 1
|
C32H52O3
|
CC1=C[C@H]2/C=C(/C)CC[C@@H](O)[C@@H]3OC(C)(C)O[C@H]3CC(=O)O[C@@]23C(=O)N[C@@H](CC(C)C)[C@H]3[C@H]1C
| 0
|
C35H54O7
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCC
| 0
|
C21H34O4
|
COC1=CC=C(CNC(=O)C[C@@H]2O[C@H](CNCC3=CC=CC(Cl)=C3)[C@@H](O)[C@H]2O)C=C1
| 0
|
C61H106O6
|
CCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)[C@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC
| 0
|
C62H120O6
|
COC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C(OC)=C3OC2=C1
| 0
|
C34H33N2O7S2
|
C[C@]12CC[C@H](O[C@@H]3CCCCO3)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](CO)CC[C@@H]12
| 0
|
C17H26O2
|
CC(=O)NC1=CC=CC(NC(=O)COC2=CC=C3C(=O)C(C4=CC=CC=C4)=C(C)OC3=C2)=C1
| 0
|
C25H26ClNO6
|
CCCCCCCCC=CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC
| 0
|
C20H30O3
|
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
| 0
|
C43H67NO10
|
CC(CCCC[C@H]1C[C@H](O)CC(=O)O1)CC(C)CC[C@@H](C)O
| 0
|
C27H32O8
|
COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2C[C@@]3(O)C4=CC(=O)O[C@@H](C5=COC=C5)[C@]4(C)CCC3C1(C)C2=O
| 1
|
C15H20O7
|
C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(O)[C@@]13O[C@@H]1[C@H](O)[C@@](C)(O)[C@H]23
| 1
|
C19H22O4
|
CC(=O)O[C@@H]1[C@H]2[C@H](C=C3C(=O)[C@H](C)[C@@H](C)[C@H]4[C@H](CC5=CC=CC=C5)NC(=O)[C@@]341)C[C@H](C)[C@@](O)(C(C)=O)[C@@H]2O
| 0
|
C31H29N5O4
|
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)C4=C(C[C@@H]32)N(C(C)=O)N=C4C)C1
| 0
|
C28H28N2O2
|
CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](CC1=CC=C(OC(=O)OC(C)(C)C)C=C1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
| 0
|
C28H24O5
|
CCCCC[C@@H]1O[C@@H]1CCCCCCCCCCC(=O)OC
| 0
|
C42H60O20
|
C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC/C=C(\C)CC/C=C(\C)COC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]4[C@@H]3CC[C@]4(C)O)[C@H]2C[C@@H]1O
| 1
|
C14H20N2O3
|
CO[C@@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)C4=CC=CC=C4)[C@@]4(C)[C@]5(O)CC[C@@]4(O)[C@@H](C)O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](O)[C@H](O[C@H]2C[C@@H](OC)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1
| 0
|
C18H18N4O6
|
O=[N+]([O-])C1=CC=CC(C2=NOC([C@@H]3C[C@@H](O)CN3CC3=CC=C(CO)O3)=N2)=C1
| 1
|
C58H83N5O11
|
CC(=O)CNC1=C2[C@H](CC[C@]3(CCN=C(N)N)[C@@H]4[C@@H](CC#C[C@H]([C@@H]5COC(=O)[C@H]5C5=CNC=C5)C[C@@H]5[C@@H](CC=C6CC[C@H](C)C[C@H]65)[C@H](C(O)O)C[C@@H](O)[C@]4(C)O)C[C@@]23O)[C@@]2(C3CCCC3)C[C@H](O)[C@H](O)C[C@H]2C1=O
| 1
|
C24H28N2O6
|
COC1=CC=C([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(C)C)[C@H]4C2=O)C=C1
| 0
|
C35H52O12
|
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[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]7O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@@H]1[C@H]2C
| 0
|
C26H39N5O9
|
CC1=CC=CC2=C3C(=O)O[C@@]4(C[C@@H](C)CO4)C3=CC=C12
| 0
|
C15H26O2
|
COC(=O)[C@@]12COCC[C@@H]3[C@H](C4=C1NC1=CC=CC=C41)N(C)CC[C@@H]32
| 0
|
C28H32O13
|
COC1=CC=C(C2=COC3=C(CN4CCN(C5=CC=CC=N5)CC4)C(O)=CC=C3C2=O)C=C1
| 0
|
C32H41N5O6
|
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@]3(O)C=C4C5=CC=CC6=C5C(=CN6)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
| 1
|
C35H70O2
|
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1C1=CC=C(OC)C(Br)=C1
| 0
|
C24H23NO4
|
CCC=CCC=CCC=CCC=CCCCCC(=O)OC[C@@H](O)CO
| 0
|
C22H32O7
|
C=C(C)[C@H]1CC=C(C(=O)OC)CC[C@H]2O[C@]2(COC(=O)C(C)C)[C@@H](OC(C)=O)C1
| 1
|
C37H56N2O9
|
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3[C@H](O[C@@H]4CC[C@@]5(C)[C@H]6CC=C7[C@H]8C[C@@]9(C)C[C@H](OC9=O)[C@@]8(C)CC[C@@]7(C)[C@@]6(C)CC[C@H]5C4(C)C)O[C@@H](C(=O)O)[C@@H](O)[C@@H]3O)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
| 0
|
C37H44Cl2N4O4
|
O=C(NC1=CC(Cl)=CC(Cl)=C1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@H]1C(=O)N(CCCN1CCC(CC2=CC=CC=C2)CC1)[C@@H]3C(=O)NC1CCCCC1
| 1
|
C19H19N3O4
|
CCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
| 0
|
C23H31NO4
|
C[C@H]1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)CC[C@@H]1NC(=O)COC1=CC=CC=C1
| 1
|
C71H132O6
|
CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC
| 1
|
C57H110O6
|
C/C1=C/C[C@H]2[C@H](C)C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@@H]1O
| 0
|
C30H44O3
|
C[C@H]1[C@H](C)CC[C@@]23CC[C@@]4(C)[C@@](C=C[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@H]13
| 1
|
C29H37BrN4O4
|
CC(C)CC1=C2OCOC2=CC2=C1O[C@@H]1C3=CC(OO[C@H]4[C@H](OCCN)O[C@H](COC(=O)CC(=O)O)[C@@H](OCCCO)[C@@H]4O)=CC(CC4=CC=C(O)C=C4)=C3OC[C@H]21
| 0
|
C17H17N5O
|
CN1CCC[C@H]1C1=NC(C2=CC=C(C3=CC=NC=C3)N=C2)=NO1
| 1
|
C32H48O4
|
CCOC(=O)C(C)(C)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@H](OCC5=CC=CC=C5)[C@@]4(C)CC[C@@H]32)C1
| 1
|
C27H30O16
|
CC1=NN=C([C@H]2CCN(C(=O)COC3=CC=CC=C3)C2)O1
| 0
|
C50H96O6
|
CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C
| 1
|
C30H46N2O5
|
C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N1CCOCCOCCN(/C(C)=C2\C(=O)C[C@@H]3[C@H]2C3(C)C)CCOCC1
| 1
|
C67H78N4O8
|
CC1=C(C(C)C)[C@@H](OC(=O)C2=CC=CN2)[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@@](O)(CO)CC[C@]34O)[C@@]12O
| 0
|
C27H39NO7
|
CC(=O)/C=C/[C@@H]1[C@]2(C)CO[C@]1(C)CC(=O)C2
| 0
|
C27H36O7
|
COC1=C2C=CNC3=C2C(=C(OC)C1=O)C1=CC=CC=C1C3=O
| 0
|
C23H26N4O2
|
O=[N+]([O-])C1=CC=CC=C1[C@@H](Cl)[C@@H](Cl)C1=CC=CC=N1
| 0
|
C14H16O7
|
CCCC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1
| 0
|
C21H31NO14
|
CC1=C(C(=O)NC2=CC=C(Cl)C=C2)C2(CCN(CC3=CC=CC=C3)CC2)OC1=O
| 0
|
C11H19NO10S2
|
CCO[C@](C)(NC1=CC=CC=C1C(=O)CC)C1=C2C=CC=CC2=NO1
| 0
|
C61H118O6
|
CC(C)[C@H]1/C(O)=N\[C@H](CO)C[C@@]2(O)C(O)=NC3=CC=CC(=C32)N1C
| 0
|
C27H30O15
|
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC(=O)C5=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C5)CC[C@]4(C)C3=CC[C@]12C
| 0
|
C20H32N2O3
|
CN1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)CC1
| 1
|
C65H106O31
|
CCC[C@H](CC1=C([C@H]2OC(=O)[C@H]3O[C@@]34[C@]3(C)[C@H](O)C(=O)[C@@H]5C(C)(C)O[C@@H]6[C@H]7CCC(C[C@]24C)[C@@H]3[C@]65COC7=O)C=CO1)[C@H](O)CO
| 0
|
C26H28O15
|
CC(C)N1C=C(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)C2=CC=CC=C21
| 0
|
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