formula
stringlengths 2
21
| smiles
stringlengths 4
474
| label
int64 0
1
|
|---|---|---|
C53H102O6 | CCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C | 1 |
C63H74N6O11S | COC1=CC=C(C2=C[C@@](O)(C3=CC=C(OC)C=C3)[C@@H](C(=O)/C=C/C3=CC=CC=C3)[C@H](C3=CC=CC=C3)C2)C=C1 | 0 |
C29H42N2O5 | COC(=O)[C@H]1CCCN1C(=O)CO/N=C1\C=C2CC[C@@H]3[C@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 | 1 |
C33H26O10 | COC1=CC=C2C=C1C1=CC(=CC=C1OC)[C@H]1C[C@H](O)C[C@H]3CCCC(C[C@@H](O)CC2)N31 | 0 |
C21H18O12 | COC1=CC=CC=C1C1=CN=CN=C1C1=CC=C(OCC2=CC(C)=CC=C2C)C=C1O | 0 |
C37H53NO3 | C=C(C)[C@@]12O[C@@]3(/C=C/C=C/C=C/CCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O | 0 |
C28H34O14 | CC(=O)O[C@H](C)[C@](C)(O)C(=O)OC[C@@H]1CCN2CC[C@H](OC(=O)C3=CC=CC=C3O)[C@@H]12 | 0 |
C35H58O10 | CC1(C)CC[C@@]2(O)[C@H](C1)C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O | 1 |
C26H33NO7 | CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C | 0 |
C21H34O3 | COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]21)C[C@@]4(C)O | 1 |
C20H25N5O3 | CNC(=O)C1=CN(C)C(C2=NC3=CC(NC(=O)C(C)C)=CC=C3N2C)=C1OC | 1 |
C33H18O9 | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC[C@]13C | 0 |
C49H58O18 | COC1=CC(OC)=C2C=C(C(=O)N3CCC4=C(C3)C3=CC=CC=C3N4)N(C)C2=C1 | 0 |
C21H24N2O4S | C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](S)CC1=CC=CC=C1)C(=O)O | 1 |
C13H12O4 | CC1=CC(O)=C(O)C=C1C1=CC(O)=CC(O)=C1 | 1 |
C15H17NO4 | CC(C)=CCC/C(C)=C\C(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C | 0 |
C20H23N3O4 | COC1=CC2=C(C(OC)=C1CC=C(C)C)[C@@H]1OC3=CC(O)=CC=C3[C@@H]1CO2 | 0 |
C9H11ClN2OS | CC[C@@H]1OC(=O)/C=C/[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)C[C@H](C)C(=O)/C=C/[C@H]2O[C@H]2[C@@]1(O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC | 0 |
C27H30O15 | COC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CC(=O)O[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(C)=O)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)O)NC1=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N2 | 0 |
C23H33N3O | C[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1 | 0 |
C22H18Br2ClNO6 | CC1=CC(O)=CC2=C1O[C@@](C)(CC1=C3C[C@H](O)C(C)(C)OC1C(C)(C)CCCC3=O)CC2 | 0 |
C30H22O13 | C1=CN2N=C3C4=C(C=CN3N=C2C2=C1OC=C2)OC=C4 | 0 |
C26H34O6 | CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)[C@H]3CC(=O)O)[C@@]21C | 1 |
C30H52O2 | COC1=CC(COC2=CC=C3C(=C2)OC(=O)C2=CC=CC=C23)=CC(OC)=C1OC | 0 |
C15H12N4O2S2 | C[N+]1=C(NC2=CC=C([N+](=O)[O-])C=C2)SN(C2=CC=CC=C2)C1=S | 1 |
C20H20N2O | CCCOC1=CC=C(C2CN3C(=O)CN(CC4=CC=CC(OC)=C4)C(=O)[C@]3(C)C3=C2C2=CC=CC=C2N3)C=C1OCC | 0 |
C9H11NO7 | C=C(C)[C@@H]1CCC2(COC(C)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)C6=CC=CC=C6C(=O)O)C(C)(C)C5CC[C@]43C)C12 | 0 |
C31H50N6O7 | C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(=O)/C=C/C6=CC=C(O)C(O)=C6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 | 0 |
C34H58O5 | CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C | 1 |
C31H40O11 | CC1(C)O[C@@H]2OC3=CC=C4C(=O)C[C@@H](C5=CC=CC=C5)OC4=C3[C@@H]2[C@H]1O | 0 |
C62H100O32 | C=C1C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@@]2(O)C(=C)[C@@H](O)C[C@@H]12 | 0 |
C45H65NO4 | CC(=O)OC(C)(C)[C@H]1OC2=CC3=C(C=CC(=O)O3)C=C2[C@@H]1OC(=O)C(C)C | 0 |
C26H31N5OS | CC1=NC(C2=CC=CS2)=CC([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2=CC=C(N(C)C)C=C2)=N1 | 1 |
C18H23N3O2 | CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C[C@H](C4=CCOC4=O)O[C@@H](O)[C@@H]3CC[C@@H]12 | 0 |
C18H28O6 | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | 0 |
C30H44O7 | CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]45O[C@@]46CC[C@H](C4=CC(=O)OC4)[C@@]6(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O | 1 |
C18H21NO6 | CCCC1=CC(=O)OC2=CC(O[C@@H](C)C(=O)N[C@@H](C)C(=O)O)=CC=C12 | 1 |
C49H60N2O9 | CCNC1(OC2=CC(OC)=C3CCC4=C5C(=CC6=C4[C@@H](O)[C@H](C4=CC(OC)=C(O)C(OC[C@H](CO)[C@H]7CCC(C)(C)C8=CC=CC=C87)=C4)CO6)N[C@H](O)C2=C35)CCCCC1 | 1 |
C14H10N2O3 | NC1=CC([N+](=O)[O-])=CC2=C1C=CC1=CC=CC=C1O2 | 1 |
C43H68O14 | COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O | 1 |
C28H26O12 | O=C(CC(=O)C1=CC=C(O)C=C1)OC[C@@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](OC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@@H]1O | 1 |
C20H34 | O=C(CC1=CC=CC=C1)NC[C@H]1CN2C(C3=CC=C(Cl)C=C3)=CN=C2CO1 | 0 |
C15H25Br2ClO | CC1(C)[C@@H](Br)CC[C@@]1(C)[C@@]1(O)CC[C@](C)(Br)[C@@H](Cl)C1 | 1 |
C27H25N2O | C[N+](C)=C1C=CC(=C2C=CN(CC(=O)C3=CC=C(C4=CC=CC=C4)C=C3)C=C2)C=C1 | 1 |
C27H35N3O4 | CCCCN1C(=O)[C@H]2[C@H](C(=O)NC3=CC=C(C)C=C3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 | 1 |
C22H24N2O5 | C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)[C@H](O)[C@H](O)[C@H]1O | 0 |
C46H54N6O8 | CS(=O)(=O)C1=CC=C(CN[C@@H]2C3CO[C@H](O3)[C@H](N3C=CN=C3)[C@H]2O)C=C1 | 0 |
C41H58O3 | COC1=CC2=C(C=C1C(C)C)[C@H](O)[C@H](OC1=CC3=C(C=C[C@H]4C(C)(C)CCC[C@]34C)C=C1C(C)C)[C@H]1C(C)(C)CCC[C@]21C | 1 |
C42H40O23 | O=C(O)CC(=O)OC[C@@H]1O[C@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C=C4)=C(O[C@H]4O[C@@H](COC(=O)/C=C/C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@@H]4O)C=C23)[C@@H](O)[C@H](O)[C@H]1OC(=O)CC(=O)O | 1 |
C55H96O6 | C=C1CC[C@H]2O[C@]2(CO)CC[C@H]2[C@H]1CC2(C)C | 0 |
C26H22O13 | O=C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C1=C(O)C=C2OC3=CC(O)=C(O)C=C3C(=O)C2=C1O)C1=CC=C(O)C=C1 | 1 |
C35H42O7 | CC(=O)O[C@@H]1C[C@H](OC(=O)C2=CC=CC=C2)[C@@]2(C)[C@H]3[C@H](OC[C@]13C)[C@@H](O)[C@@]1(C)C3=CC[C@@H](C4=COC=C4)[C@]3(C)CC[C@@H]12 | 1 |
C21H30O13 | COC1=CC=C(OC)C(NC(=O)CN2C(=O)[C@@H]3C[C@H](O)CN3C(=O)C3=CC=CC=C32)=C1 | 0 |
C23H25N3O2S2 | CCN1C(=O)[C@]2(C3=CC=CC=C31)[C@H](C(=O)NC1=CC=CC(SC)=C1)C[C@H]1CSCN12 | 1 |
C36H44N4O2 | [O-][N+]1=CC=C2C(=C1C1=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]1[C@]1(C[C@@H]5/C=C\CCCCN5[C@H]13)C4)NC1=CC=CC=C12 | 1 |
C29H44O6 | CC(=O)O[C@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/CC(C)C)[C@@]3(C)C[C@H]3O[C@@]23[C@@]2(CO)CC[C@H](O)C[C@]12O | 1 |
C15H23N2O | O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCC=[N+]1C3 | 1 |
C26H32O9 | CC[C@@H](C)[C@H](NC(=O)CC1=C(C)C2=CC=C(OC)C=C2OC1=O)C(=O)O | 0 |
C27H22O10 | COC1=CC(=O)O[C@H](C[C@@H](O)C2=CC=CC=C2)C1 | 0 |
C38H58O9 | COC(=O)CC1=CC(O)=CC(C/C=C(\C)CC/C=C(\C)CCCC(C)C(=O)[C@@H](O)C=C(C)C)=C1O | 0 |
C21H27N3O2 | COCCOC1=CC=NC(C2=NOC([C@@H]3CCCN3C3=NC=CC=N3)=N2)=C1 | 0 |
C12H22O11 | OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | 1 |
C32H52O5 | CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]45O[C@]46CC=C(C4=CC(=O)OC4)[C@@]6(C)CC[C@@H]35)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O | 0 |
C15H20Br2O2 | CC1(C)CCC[C@@]2(C)OC3=C(O)C=CC(C4=C(O)C(=O)C5=C(O)C=C(O)C=C5O4)=C3C[C@@H]12 | 0 |
C8H19O3P | C[C@@]1(O)[C@H](O)C[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1C(=O)O | 0 |
C56H66N8O16 | C[C@H](O)CNNC1=CC([C@H](CO)CO[C@@H]2[C@H]3OC4=C(C=C5C(=O)C6=CC=C(CO)C=C6C(=O)C5=C4OC[C@H](O)CC=O)[C@H](C4=CC=CC=C4N4CN[C@H]5C(=O)N[C@H](N)N[C@@H]54)[C@H]4CC[C@@H](O)CC#C[C@](O)([C@H](COC4)O3)[C@H]2O)=CC=N1 | 1 |
C32H33NO3 | CC1=CC=C2N=C(C[C@H]3CN(C(=O)N4CCOCC4)CC[C@H]3CC(=O)O)NC2=C1 | 0 |
C19H26N4O3S | CN(C)C1=CC=C(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NC4CC4)[C@H]3S2)C=C1 | 1 |
C17H28O3 | COC1=CC=CC=C1[C@@H](CCN)[C@H]1CCOC(C)(C)C1 | 0 |
C56H105N2O20P | CCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)C(NC(=O)CO)[C@H]([C@H](O)[C@H](O)COC)O2)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC | 1 |
C29H36O10 | CC1=C[C@H]([C@H]2[C@H](C)C(=O)[C@@]3(C)CC[C@]45C[C@]67OC(=O)C[C@H]6OC(C)(C)[C@@H]7C[C@H](O)[C@H]4C(=O)[C@@](O)(O5)[C@@H]23)OC1=O | 1 |
C25H31N3O5 | CCCC1=CC(=O)OC2=C3CCC(C)(C)OC3=CC(OCC(=O)NCCCN3C=CN=C3)=C12 | 1 |
C18H23NO3 | CO[C@@H]1[C@H](N)C[C@H]2O[C@]1(C)N1C3=CC=C(O)C(O)=C3C3=C4C(=O)N=C(O)C4=C4C5=CC=CC=C5N2C4=C31 | 0 |
C23H23NO7S | C=C1[C@H]2CC[C@@]3(C2)[C@H](C)CC[C@@H]3C1(C)C | 0 |
C15H20O5 | CC(=C/C(=O)O)/C=C/[C@@]1(O)C(CO)=CC(=O)CC1(C)C | 1 |
C15H22O3 | C/C1=C/C[C@H](O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 | 1 |
C27H30O15 | CCC(C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)CC)NC1=O | 0 |
C30H48O5 | CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC | 0 |
C77H130O20 | CC(=O)/C=C/C1=CC=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 | 0 |
C25H26O13 | O=C1C2=CC=CC=C2C(=O)C2=C1C=CC(OC1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)=C2O | 1 |
C20H20N3O | CCN(CC)C1=CC=C2N=C3C(=[O+]C2=C1)C=C(N)C1=CC=CC=C13 | 1 |
C20H30O5 | CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]23C)O1 | 0 |
C33H32N2O10 | CO[C@@H]1C2=C(NC3=C4C=CC(C)(C)OC4=CC=C23)C(C)(C)[C@H]2C[C@]34CCCN3C(=O)[C@]12NC4=O | 0 |
C21H32O | COC1=CC=C2C(C(C)=O)=CC=CC2=C1 | 0 |
C17H20O4 | CN[C@H]1CC2=C(C#CCC[C@]34CC[C@H]5[C@@](O)([C@@H](O)[C@@H]6C[C@@H]([C@@H](C)C7CCCC7)CC[C@@H]7[C@@H](O)C8(CCCC8)C[C@@]5(C=O)[C@@]76O)[C@@]3(O)C[C@@H]3C[C@@H]1[C@@H]1OC(=O)C=C1[C@@H]34)C=CC=C2CO | 0 |
C19H16NO4 | COC(C)(C)[C@@H]1CC(=O)[C@](C)(O)[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1 | 0 |
C39H64O12 | C/C1=C\CC[C@@H](C)[C@@H](O)C[C@H](O)[C@H](C)[C@H](O)CC[C@@H](C)[C@@H](O)C[C@@]2(O)O[C@@H](C[C@@H](OC(=O)CC(=O)O)C[C@H](O)C[C@H](O)C[C@H](O)[C@@H](C)[C@H](O)/C=C/[C@@H](C)[C@H]([C@@H](C)CCCCCCCCNC(=N)N)OC1=O)C[C@H](O)[C@H]2O | 0 |
C29H40O4 | CC(C)C/C(O)=C\[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1[C@@H](O)C[C@@H]1[C@]3(C)CC[C@@H](O)C(C)(C)[C@H]3[C@@H](O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C | 0 |
C24H22O15 | O=C(O)CC(=O)OCC1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C(O)=C2)C(O)C(O)[C@@H]1O | 1 |
C22H37N5O3 | C[C@H](C=O)CCCCCCCCC[C@@H](NC1=NC=CC1)/C(=C/C(=O)O)CN=C(N)N | 1 |
C13H19NO2S | CC[C@@H]1[C@H](CC)N1S(=O)(=O)C1=CC=C(C)C=C1 | 1 |
C28H40O5 | C#CCNC(=O)C[C@@H]1O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]1O | 0 |
C22H30N4O2 | C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCC1=CC[C@]2(CC1)C(=O)[C@@]13CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]1CC[C@@H]2C3 | 0 |
C22H34O4 | CC(=O)O[C@@H]1/C(C(C)C)=C\C=C(/C)CC/C=C(\C)CC[C@@H]2O[C@@]2(C)[C@H]1O | 1 |
C35H42O9 | COC1=CC=C(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)C3=CC=C(C#N)C=C3)C=C2C)C=C1 | 0 |
C17H20O9 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCCCC | 0 |
C38H44N4O4 | CC(C)=CCC1=C(CCC2=CC=C(O)C=C2O)C=C(O)C(O)=C1CC=C(C)C | 0 |
C27H46O7 | COC1=CC(O)=C2C(=O)C=C(C)OC2=C1C[C@H]1OC1(C)C | 0 |
C59H96O28 | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O | 1 |
C11H20O11 | COC(=O)C1=C(OC)C=C(OC)C=C1OC1=C(C)C=C(OC)C=C1OC | 0 |
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