formula
stringlengths 2
21
| smiles
stringlengths 4
474
| label
int64 0
1
|
|---|---|---|
C8H13NO
|
CC1=C(C)OC(C(C)C)=N1
| 1
|
C27H34O8
|
C=C1[C@@H]2CC[C@@]3(C)[C@H](C4=COC=C4)OC(=O)C[C@@]13O[C@H]1CC(=O)C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@]12C
| 1
|
C22H42O3
|
O=CCCCCCCCCCCCCCCCCCCCCC(=O)O
| 1
|
C20H20O11
|
COC1=CC=C2OC3=CC(O)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3C(=O)C2=C1O
| 1
|
C9H10O3
|
CC1=CC=C(S(=O)(=O)NC[C@H]2O[C@@H](CC(=O)NC3=CC=CC=C3)[C@H](O)[C@@H]2O)C=C1
| 0
|
C15H21BrO2
|
C#C/C=C/C[C@H]1OC([C@H](Br)C/C=C/CC)C[C@H]1O
| 1
|
C26H30O12
|
COC1=CC=C(C(=O)NC[C@@H](C2=CC=C(C)C=C2)N2CCCCCC2)C=C1
| 0
|
C32H48O11
|
CNCC1=CC(OC)=C(OC)C2=C1[C@@H]1[C@@H]3CC4=CC=CC(=C4)CC4=CC=C(O)C=C4C4=CC(O[C@@H]5O[C@](CNC)(C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)=CC(=C4[C@@H]1O2)O3
| 0
|
C22H28O7
|
C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\CO)[C@@H]12
| 1
|
C21H20O9
|
C[C@H]1CC(=O)N2CCCC3=C(CC(=O)[C@@]3(O)CCC2)C1
| 0
|
C20H32
|
C=C1C[C@@]2(C)CCC[C@@]3(C)CC[C@@H]4[C@H]([C@@H]32)[C@H]1CC[C@@H]4C
| 1
|
C32H24O10
|
CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H]4CC=C5[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@@]5(C)[C@]4(C)CC[C@@H]23)O[C@H]1C
| 0
|
C20H14O6
|
CC[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C(\C)C[C@@H](C)[C@@H](O)[C@@H](C)C(=O)OC
| 0
|
C9H13N3O5
|
C=C(C)[C@@H]1C[C@@H](O)[C@]23CC[C@]45C(=O)O[C@]12[C@@]43CC[C@H]1[C@@]2(C)C=CC(C)(C)[C@H]2CC[C@]15C
| 0
|
C15H22O2
|
C[C@H]1CC(=O)C=C2[C@@H](O)C[C@H]3[C@H](C3(C)C)[C@@]21C
| 1
|
C21H15NO3S
|
CC1=CC=CC(C2=CC(=O)C3=CC(NC(=O)C4=CC=CS4)=CC=C3O2)=C1
| 1
|
C22H22O12
|
O=C(O)C1=COC(=O)C=C1
| 0
|
C21H32O2
|
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
| 0
|
C22H27NO6
|
CC1=CC(OCC(=O)NCCCCCC(=O)O)=C2C3=C(CCCC3)C(=O)OC2=C1
| 1
|
C34H58O6
|
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](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C
| 1
|
C28H36O8
|
O=C(/C=C/C1=CC=C(O)C=C1)OCC1=C[C@@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
| 0
|
C21H34N2O2
|
CCN1CCN(CC2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1
| 1
|
C30H40O9
|
CCCC[C@]12CN3C[C@](C)(CN(C1)C3C(O)C(O)C(O)CO)C2=O
| 0
|
C17H22O4
|
COC(=O)C1=NC=C(OC)C2=C1NC1=C(O)C=CC=C12
| 0
|
C32H29N3O9
|
O=C(O)[C@H]1O[C@@H](OC2=C(CC3=CC=C(O)C=C3)N=C3C(CC4=CC=CC=C4)=NC(C4=CC=C(O)C=C4)=CN23)[C@H](O)[C@@H](O)[C@@H]1O
| 1
|
C63H108O6
|
C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C=C[C@]2(C)O
| 0
|
C27H31NO4
|
CCC1=CC=C(CNC(=O)C2=C(C)C3=C4C(=CC=C3O2)OC2(CCCCC2)C[C@@H]4O)C=C1
| 1
|
C24H21N3O3
|
COC1=CC=C(C2=NOC(CNC(=O)CC3=CC=C(C4=CC=CC=C4)C=C3)=N2)C=C1
| 1
|
C45H72O12
|
C/C=C(\C)C(=O)OCC1O[C@@H](OC2=CC(O)=C3C(=O)C(O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)[C@@H](O)[C@@H]1O
| 0
|
C19H23N3O4
|
COCC(=O)N1C[C@H](C2=NC(C3=CC=CC=C3)=NO2)C2(CCOCC2)C1
| 1
|
C38H41N3O6
|
OC[C@H]1CCCC[C@]1(CNCC1=CC=C(CCC2=C(O)C(O)=C3C(O)=CC=CC3=C2/C=C/C2=CC=C(O)C(O)=C2)C=C1)C1=CNC=N1
| 1
|
C29H36O8
|
CC(=O)OC1C[C@]2(COC(=O)C2)O[C@@]2(C)C[C@H](OC(=O)C3=CC=CC=C3)[C@]3(C)C(CCC(=O)[C@H]3C)[C@@]12C
| 1
|
C7H8O2
|
C[C@@H](C1=CC(O)=C2C(=C1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@@H]2O[C@@H]2[C@H](O)O1
| 0
|
C15H26O2
|
CC1=CC(O)=CC(=O)N1CCCC(=O)O
| 0
|
C19H28O7
|
COC1=CC(=O)C2=C(C[C@]3(C)[C@H](C)CC[C@]45C[C@@]4(C)CCC[C@]53O2)C1=O
| 0
|
C80H95N3O9
|
C[C@H]1C[C@]23C[C@@H]4C5(CCCC5)[C@@H](CO)CO[C@@]45C=C[C@@H]4[C@H]6CC#CC7=C8C=C(OC9CCCC9)C(O)=C7[C@@H]2[C@@H]5[C@@]4(CO)C=C3[C@](C=C[C@@H]2C[C@@H]3C[C@@]4(CO)C=CCC[C@H]4C(CO)=C3C(=O)C[C@@H]82)(C1)C1=CC(=CC(O)=C1)CC1=CC(=CC=C1)C1(CCCCC1)N/C(N)=N/6
| 1
|
C26H30O7
|
CC1=CC=C(C2=CNC([C@@H]3COCCN3CC3=CN(C)C4=CC=CC=C34)=N2)C=C1
| 0
|
C18H22N2O4
|
CC(C)=CCOC1=CC=C(C[C@H]2C(=O)N(C)C(=O)C(=O)N2C)C=C1
| 1
|
C33H44O10
|
CC1=CC=CC(C)=C1C(=O)O
| 0
|
C7H4O7
|
CC(C)=CC[C@]12OC3=CC4=C(C(O)=C3C(=O)[C@@]1(O)OC1=CC(O)=CC=C12)[C@H]1C=C(C)C[C@@H]2C3=CC=C(O)C=C3O[C@@](C3=CC=C(O)C=C3O)(O4)[C@@H]12
| 0
|
C12H16O2
|
CCC(=O)OCCCC1=CC=CC=C1
| 1
|
C50H96O6
|
CC(=C[C@@H](O)[C@H]1[C@H](N=C(N)N)C=C[C@]2(C[C@]3(O)C=C[C@@]4(O)C5=C(C(=O)C[C@@]2(C2CCCC2)[C@]53C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2[C@@H]4C=CC2=CC=CC=C2)[C@H]1C)C(=O)O
| 0
|
C77H126O41
|
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](OC[C@H]6O[C@@H](OC(=O)[C@]78CCC(C)(C)C[C@H]7C7=CC[C@@H]9[C@@]%10(C)CC[C@H](O[C@@H]%11OC[C@H](O)[C@H](O)[C@H]%11O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@](C)(CO)[C@@H]%10CC[C@@]9(C)[C@]7(C)CC8)[C@H](O)[C@@H](O)[C@@H]6O)O[C@@H]5CO)O[C@H]4C)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
| 1
|
C13H16O4
|
COC(=O)[C@@H](C)OC1=CC=C2C(=O)C(OC3=CC=C(OC)C=C3)=COC2=C1
| 0
|
C36H46O12
|
CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@@]3(COC(C)=O)[C@@H]([C@@H]4[C@H](C[C@H]3OC(C)=O)C4(C)C)[C@](C)(OC(C)=O)C(=O)[C@@]2(O)C[C@@H]1C
| 1
|
C33H43NO6
|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)NC[C@@H](CC(=O)O)C1=CC=CC=C1
| 1
|
C25H24O12
|
COC1=CC(O)=CC(C)=C1C(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)O[C@@H]1CO
| 0
|
C15H12O4
|
CN1C=C2CC[N+](C)=C3C=C(N)C(=O)C1=C32
| 0
|
C19H21ClN2O2
|
COC1=CC=C(CC/N=C/[C@]23CCC(O)CC2(O)CCC2[C@@H]3CC[C@]3(C)C(C4=CC(=O)OC4)CCC23O)C=C1OC
| 0
|
C15H14O3
|
CC1=CC=CC2=C1[C@](C)(O)C1=C(OC=C1C)C2=O
| 1
|
C14H16N2O7
|
C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C
| 0
|
C20H18O6
|
O=C(CCC1=CC=C(O)C=C1)CC(CCC1=CC=C(O)C(O)=C1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
| 0
|
C10H16O3
|
CC1=CC[C@@H]([C@](C)(O)CO)CC1=O
| 1
|
C41H68O5
|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
| 0
|
C6H5N3O
|
CC1=CC2=C(N=N1)OC=N2
| 1
|
C8H6Cl4O2
|
COC1=C(Cl)C(Cl)=C(OC)C(Cl)=C1Cl
| 1
|
C37H46N4O13
|
COC(=O)C1=CC=CC2=NC3=C([C@@H](O)[C@@H](CCCCCCC(C)C)C(=O)OC)C=CC=C3N=C12
| 0
|
C56H40O31
|
O=C(O[C@@H]1COC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)O[C@H]1[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C3=C2C(=O)O[C@H]1[C@H]3C1=C(O)C=C2O[C@H](C3=CC=C(O)C(O)=C3)[C@@H](O)CC2=C1O)C1=CC(O)=C(O)C(O)=C1
| 1
|
C19H26N4O
|
CC1=C2C(=O)C[C@@H]3[C@@H](C2=CO1)[C@H](O)C[C@H]1C(C)(C)CCC[C@@]31C
| 0
|
C22H28N4O5
|
C=C1[C@H]2[C@H](CO)C[C@@](C(=O)CCC3=CC=CC(C4=CC(O)=CC(CNCCC5=CC=CC=C5)=C4)=C3)(C1(C)C)[C@@]2(O)OC
| 0
|
C39H42O12
|
CN1CCC2=CC3=C(C=C2[C@@H]1[C@H]1OC(=O)C2=C1C=CC1=C2OCO1)OCO3
| 0
|
C18H29NO4
|
C/C=C(\C)[C@H]1O[C@]2(C)CC[C@H]3C(C)(C)CCC(=O)[C@]3(C)[C@H]2[C@@H]1O
| 0
|
C36H54O2
|
C[C@]1(CO)[C@H]2CC3=C(N=C(C4=CC=CC=C4)S3)[C@@H](CC(=O)NCCN3CCOCC3)[C@]2(C)CC[C@H]1O
| 0
|
C58H94O25
|
CC(=O)N[C@H]1C[C@@H](CC2=NOC(CN3CCCCC3)=C2)C1(C)C
| 0
|
C42H30O9
|
OC1=CC=C(/C=C2\C3=CC(O)=CC4=C3[C@H](C3=CC(O)=CC5=C3[C@@H](C3=CC(O)=CC(O)=C23)[C@H](C2=CC=C(O)C=C2)O5)[C@@H](C2=CC=C(O)C=C2)O4)C=C1
| 1
|
C21H31BrNO3
|
CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)CC2=C3C[C@H](CC4=CC5=CCN=C5C=C4)C4=CC(O)=CC=C4C3=C3O[C@@H](CO)CCC3=C2O[C@@H]1C1=CC(CCC2=CC=CC=C2)=C(O)C(OC)=C1
| 0
|
C44H78O8
|
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@](C)(OC(=O)CCC)C2OC(C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)CC[C@@]1(C)OC(C)=O
| 1
|
C12H22O
|
C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)C7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C
| 0
|
C74H136N2O31
|
C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC[C@H]1[C@H]([C@H](C)CO)[C@@H](O)C[C@@H]1C
| 0
|
C22H26N2O5S
|
CC(C)COC[C@@H]1C[C@]2(C[C@](C)(C3=CSC(NC4=CC=CC=C4)=N3)OC2=O)C(=O)O1
| 1
|
C29H40O11
|
CCCCCCCCCCCCCC1=CC=CC(O)=C1C(=O)O
| 0
|
C30H48O
|
CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
| 1
|
C56H40O32
|
O=C1O[C@H]2[C@H]([C@@H]3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)OC[C@@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)OC(=O)C3=CC(O)=C(O)C4=C3[C@H]3C1=C(C(=O)C(O)(O)[C@@]3(O)O4)[C@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O)C2
| 1
|
C26H27NO5
|
CCCCCC=CCC=CCC=CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC
| 0
|
C31H50O4
|
CO[C@@H]1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@@H]3[C@](C)(CC[C@@H](O)[C@]3(C)C(=O)O)[C@H]12
| 1
|
C17H21N3O6
|
CC[C@@H](C)CCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)CC2=CC(=C(O)C=C2)C2=C(O)C=CC1=C2
| 0
|
C24H29NO11
|
COC1=CC=CC=C1CNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@@H]21
| 0
|
C32H52O2
|
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@@]5(C)CC[C@@H](C)[C@H](C)[C@H]54)[C@]3(C)CC[C@H]2C1(C)C
| 1
|
C23H28O7
|
COC1=CC=C2C(=C1)N1C(=O)CC3OCC=C4CN(C)CCC25C(=O)CC4C3[C@H]15
| 0
|
C25H30O5
|
C=C(C)[C@@H](O)CC/C(C)=C/CC1=C(O)C=C(CCC2=CC=CC=C2)C(C(=O)O)=C1O
| 1
|
C50H96O6
|
C=C[C@]1(C)C=C2OC(=O)C(C)=C2C[C@H]1C(=C)C(=O)OC
| 0
|
C52H100O6
|
CCC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C
| 1
|
C20H23NO5
|
O[C@@H]1CCN2CCC3(CC3(Cl)Cl)[C@@H]12
| 0
|
C15H28N6O3
|
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[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@@]1(O)[C@@H]2C
| 0
|
C11H15NO2S6
|
CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O
| 0
|
C21H32O2
|
CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
| 1
|
C32H34N2O5
|
C=C[C@H](OC(=O)C1=CC=CC=C1)[C@@]12CO[C@@H](C(CNC(=O)C3=CC=CC=C3)O1)[C@@H]2O
| 0
|
C54H104O6
|
CCOCC[C@@H]1CCC[C@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21[C@@]2(C=CC[C@@]13C)C=C[C@H]1[C@H](CCCO)CC[C@]13C[N@@]32
| 0
|
C20H18O10
|
O=C1C=C(C2=CC(O)=C(O)C(O)=C2)OC2=C([C@H]3OC[C@H](O)[C@H](O)[C@H]3O)C=CC(O)=C12
| 1
|
C95H97NO4S2
|
CC1=C(C2=CC=C(Cl)C=C2)C(=O)C2=CC=C(OCC3=CC=CC=C3Cl)C=C2O1
| 0
|
C22H30N4O2
|
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(C)=O)[C@]4(C)O
| 0
|
C57H102O6
|
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC
| 1
|
C24H24N4O4
|
CCCCN1CC(=O)N2[C@H](C3=CC=CC([N+](=O)[O-])=C3)C3=C(C[C@H]2C1=O)C1=CC=CC=C1N3
| 1
|
C22H24O13
|
COC1=C(O)C=C2C(=C1O)C(=O)O[C@H](C)[C@H](O)C1=C(O)C(O)=C(OC)C(O)=C1C(=O)O[C@H](C)[C@H]2O
| 1
|
C32H20O6
|
O=C1OC[C@H](CC2=CC=CC(O)=C2)[C@H]1C(O)C1=CC=CC(O)=C1
| 0
|
C15H12N2O4
|
CCOC(=O)C1=CC2=C(N=C1N)C1=CC=CC=C1OC2=O
| 1
|
C16H22N2O4
|
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C=CC2=CC=CC=C2)[C@@H](O)[C@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)[C@@H](C)CC)[C@H](O[C@@H]3[C@@H](O)[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]3C)O[C@H]2C)O[C@H]1C
| 0
|
C21H20O5
|
CCOC(=O)[C@@H](C)OC1=CC=C2C(=O)C(=CC3=CC=CC(C)=C3)OC2=C1
| 1
|
C56H79N5O9
|
C[N+](C)([O-])CCNC1=CC=C(NCC[N+](C)(C)[O-])C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O
| 0
|
C23H33N3O2
|
OC1=C2NN=CC=C2C=N1
| 0
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.