formula stringlengths 2 21 | smiles stringlengths 4 474 | label int64 0 1 |
|---|---|---|
C21H30O10 | CC1=CC(=O)C[C@@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(O)/C=C/C(C)=C/C(=O)O | 1 |
C5H8O4 | C=C(C(=O)O)[C@H](O)CO | 1 |
C87H140O17P2 | CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC[C@H](COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCC=CCC=CCC=CCC=CCC | 1 |
C42H54O6 | CC1(C)CCC[C@]2(C)[C@H]3[C@@H]4OC5=C(O)C=C6O[C@@]7(C)CC[C@H]8C(C)(C)CCC[C@]8(C)C7=CC6=C5C5=C(O)C(O)=CC(=C54)O[C@@]3(C)CC[C@@H]12 | 1 |
C7H14NO6P | C[C@]1(CO)CC[C@]2(C(=O)O)[C@@H]3CNC4=C(C[C@@H]3[C@@]35CCC6=C[C@H]([C@@H]7[C@H]([C@H](CC[C@@H](N)O)C8=CNC=N8)NC(=O)[C@@H]7CO)[C@H]7[C@@H](O)[C@@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@H]8CC[C@]3(C)[C@]6(CC=C5[C@@H]2C1)[C@@]78C)NC=N4 | 0 |
C70H136O6 | CC(C)[C@@H]1CC[C@@]2(C)[C@@H]([C@@H]1O)[C@@](C)(O)CC[C@@H]2O | 0 |
C20H32O2 | C=C(C)[C@H]1CC[C@@H]([C@H]2CC[C@@H]3C2=C[C@]2(C=O)[C@@H]4CC[C@@]2([C@H]3O)[C@@H](OC(C)=O)[C@]42CC[C@@H](C(C)(C)O)[C@H]2O)[C@H]1OC(C)=O | 0 |
C23H34N4O5 | CN[C@@H](CC(C)C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](CC2=CC=CC=C2)C(N)=O)C[C@@H](O)[C@@H]1O | 1 |
C44H84O6 | CCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C | 1 |
C24H42O3 | CC[C@H](C)[C@@H](O)C(=O)O[C@@H](C(=O)O[C@@H](C(=O)O[C@@H](C(=O)O[C@@H](C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC | 0 |
C22H31NO6 | COC(=O)[C@@H](NC(=O)C1=CC=C2O[C@@](C)(CCC=C(C)C)[C@@H](O)CC2=C1)[C@@H](C)O | 1 |
C14H16O3 | COC1=C(C)C=C(OC)C2=C(OC)C=CC=C12 | 1 |
C56H90O18 | CC(=O)NC1=CC=C(S(=O)(=O)N[C@@H]2C=C[C@H](C3=C(C)N(CC4=CC=CC=C4)N=C3C)C2)C=C1 | 0 |
C19H19NO5 | CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC | 0 |
C52H94O6 | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC | 1 |
C29H52N2 | CC(C)=CCNCCCCN(CC=C(C)C)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C | 1 |
C11H14O3 | CC(C)=CCC1=CC(=O)[C@@H]2O[C@@H]2[C@H]1O | 1 |
C30H35N5O3 | COC1=CC=C(NC(=O)OC[C@H]2C[C@@H]3CCN2C[C@@H]3C2=CC(C3CCCC3)=NC(C3=CC=NC=C3)=N2)C=C1 | 1 |
C48H74O20 | CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@@H]3CC4=CC[C@H]5C(=O)O[C@@H]6CO[C@]7(C)OC=C(CC[C@@H]5[C@@]4(C)C[C@H]3O)[C@H]67)O[C@@H]2C)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1 | 1 |
C33H56N4O4 | C[C@]12CC[C@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1CC[C@H]2O | 0 |
C17H22O5 | COC1=CC(O)=CC2=C1C(=O)OC(C[C@H]1CCC[C@H](C)O1)C2 | 1 |
C53H83N5O11 | C[C@]1(CO)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C6CCCCC6)[C@@H]6[C@H](C[C@]43C)NC[C@@]5(C[C@@H]3CC(=O)N[C@H]3[C@H](CCCN)C3=CNC=N3)[C@@H](O)[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@]6(C)CO)[C@@H]2C1 | 1 |
C19H17N3O3 | C=C1C(=O)O[C@@H]2C=C(CO)CC/C=C(/CO)[C@H](OC(C)=O)C(OC(=O)C(C)CC)C12 | 0 |
C45H89NO10 | CNC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C | 0 |
C22H23ClN2O2 | COC1=C2C=CC(C)(C)OC2=CC2=C1C1=C(CO2)C2=CC(O)=C(O)C=C2O1 | 0 |
C21H22O5 | C1=CC2=CC=C3C4=NC5=C6C=CC7=CC=CC=C7C6=C6C7=CC=CC=C7C=CC6=C5N=C4C4=CC=C5C=CC=CC5=C4C3=C2C=C1 | 0 |
C55H106O6 | CC1=CC(C)=CC(C[C@@H]2CC(=O)N(CCC3=CC=C4OCOC4=C3)C2=O)=C1 | 0 |
C25H27N5O5 | OC1=CC=C([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C2=CC=C3OCOC3=C2)C=C1 | 0 |
C18H17NO7 | O=C(/C=C\C1=CC=C(O)C(O)=C1)N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)O | 1 |
C6H14N4O2 | NC(N)=NCCC[C@H](N)C(=O)O | 1 |
C57H110O6 | COC1=CC2=C(C=C1OC)[C]1C(C)=C3C=CC(O)=C(OC)C3=CN1CC2 | 0 |
C24H34N6O3 | C[C@H]1CN[C@@]2(O[C@H]3C[C@@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)O[C@H](CO)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1 | 0 |
C63H104O6 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC | 1 |
C13H24O2 | CC(=O)CC[C@H]1[C@H](C)C[C@H](O)CC1(C)C | 1 |
C22H35N3O | CC(C)CN1C[C@@H]2CN(C(=O)CCC3=CC=CC=C3)CCN2C(C)(C)C1 | 1 |
C30H30O12 | CC(=O)OC1=C(OC(=O)C[C@H](C)O)C(C2=CC=C(O)C=C2)=C(OC(C)=O)C(OC(=O)C[C@H](C)O)=C1C1=CC=C(O)C=C1 | 1 |
C62H106O6 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCC | 1 |
C32H48O5 | O=C(OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1=CC=CC=C1 | 0 |
C16H14INO2 | C[C@@H]1O[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@@H](O)[C@H]1O | 0 |
C24H26O7 | COC1=CC2=C3C=C[C@](C)(CC/C=C(/C)CC/C=C(/C)COC1=C3)O2 | 0 |
C22H23N3O3 | COC1=CC(CCC2=CC=C(O)C(O)=C2)=CC(O)=C1OC | 0 |
C23H28N4O4S | COC1=CC=C(C(=O)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCC4=CC=CS4)N3C2)C=C1 | 1 |
C37H57N3O5S2 | C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O | 0 |
C56H108O6 | CCCCC[C@@H]1C[C@H](O)C=C(C)[C@@H]1C(=O)OC | 0 |
C8H7Br2NO3 | N#CC[C@@]1(O)C=C(Br)C(=O)[C@H](Br)[C@H]1O | 1 |
C39H48N4O3 | CNC(=N)N[C@H]1C#C[C@H]2CC3(C=C(CC4=CC5=CC=CC=C5N4)[C@@]24[C@@H]2CC[C@@H]5[C@@H]4C=CC[C@@]5(O)[C@H]4C[C@@H](O)[C@@](O)(C1)[C@@H]24)CCCC3 | 1 |
C23H35N5O2 | CN1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3CC3=CC=CC=C3)N2C)CC1 | 1 |
C59H110O6 | CCC(=O)N(CC[C@@]1(CC2=CC=CC=C2)CCOC(C)(C)C1)CC1=CC=C(OC)C=C1 | 0 |
C42H45N3O5 | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C | 0 |
C32H38N2O6 | COC1=CC=C([C@]23CCN4[C@@H]2C[C@@]2(O)C[C@H]3C3=C[C@]5(C6=CC=C(OC)C(OC)=C6)CCN[C@@H]5C[C@]34O2)C=C1OC | 1 |
C31H29N3O4 | CN[C@@H]1CC2=C(C#CC3(CCCC3)C[C@]34C[C@H]5C#CC[C@H]6[C@H]7CC[C@@]8(C[C@]9(C=O)[C@@H]5[C@@](O)([C@H](O)[C@H]5C[C@@H]([C@@H](C)C%10CCCC%10)CC[C@@H]([C@H]8O)[C@@]59O)[C@@]3(O)C[C@H]3C[C@H]1[C@@H]1OC(=O)C=C1[C@@H]34)[C@H]7CC[C@H]6C1=CC=CC=C1)C=CC=C2CO | 0 |
C36H56O5 | COC1=CC([C@@H]2OC3=CC(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)=CC(O)=C3C(=O)[C@H]2O[C@@H]2O[C@H](COC(=O)/C=C/C3=CC=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O | 0 |
C15H20O8 | CC(=O)C1=C(C)C=C(O)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 1 |
C22H32ClN3O3 | C=C(C)COC1=CC=C2C(C)=C(CC(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)C(=O)OC2=C1C | 0 |
C45H89NO10 | CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCC[C@H](C)CC | 1 |
C23H38O8 | C[C@@H](O)C(=O)O[C@@H]1[C@H]2CC[C@H]3[C@@](C)(O)[C@@H]4C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]13C[C@@]2(C)O | 1 |
C27H24N4O4 | CO[C@H](C)[C@H]1[C@@H]2[C@H](O)[C@@H](O)[C@H]3[C@H](C[C@H]4C=C/C(O)=C5/C(=O)N[C@H](C5=O)[C@@H](O)CCNC(=O)/C=C\C[C@H]34)[C@H]2C[C@H]1C | 0 |
C55H106O6 | CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C | 1 |
C32H53ClO2 | CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C | 1 |
C23H23NO6 | CCOC(=O)C1=CC=C(OC2=COC3=C4CN(C(C)C)COC4=CC=C3C2=O)C=C1 | 1 |
C12H16Cl3N3O3 | C=C(NC(=O)C(=C)NC(=O)C1=CSC(C2=CC=C3C4=NC(=CS4)C(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C\C)C4=NC=C(S4)C(=O)N[C@@H](CCC(=O)O)C4=NC(=CS4)C(=O)N[C@@H](CSC(=O)C4=C(C)C5=C(C)C=CC=C5N4)C4=NC(=CS4)C3=N2)=N1)C(=O)O | 0 |
C15H20O4 | COC1=CC=C(CCN2C(=O)N[C@@H](CCC(=O)N3C[C@H]4C[C@@H](C3)C3=CC=C([N+](=O)[O-])C(=O)N3C4)C2=O)C=C1 | 0 |
C7H5Cl3O | COC1=C(Cl)C=C(Cl)C=C1Cl | 1 |
C38H57NO7 | CCCC(=O)CCCCCO | 0 |
C27H19NO6 | COC1=CC=C(N2C(=O)[C@H]3[C@@H](C4=CC=CC=C4)OC4(C(=O)C5=CC=CC=C5C4=O)[C@@H]3C2=O)C=C1 | 1 |
C34H38N2O6 | C[N@+]12CCCC[C@H]1[C@@H](COC1=CC=CC3=CC=CN=C13)CCC2 | 0 |
C22H24N2O7 | O=C1C=C(C2=CC=C3OCCCOC3=C2)OC2=CC=CC=C12 | 0 |
C33H40O22 | COC1=CC2=C(C=C1OC)C1=C(C(=O)O)C(C)=NC(C)=C1C(=O)N2 | 0 |
C20H20N4O3 | O=C(CNC(=O)N1CCC2=C(C1)NC1=CC=CC=C21)NC1=CC=CC(O)=C1 | 1 |
C27H34O4 | C[C@H]1C2=CCOC2=C[C@H]2[C@H]1C[C@@H](OC(=O)C1=CC=CC=C1)[C@@]1(O)C(C)(C)CCC[C@]21C | 1 |
C31H34O17 | CC(=O)OC[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@@H]1OC(C)=O | 1 |
C16H18O7 | O=C(C1=CN=CC=N1)N1CC[C@H](C2=NN=C(C3=CC=CN=C3)O2)C1 | 0 |
C10H12O7 | O=C1C=CC([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)=C(O)O1 | 1 |
C23H25NO5 | COC1=CC=CC=C1OC1=COC2=C(CN3CCCC[C@@H]3C)C(O)=CC=C2C1=O | 1 |
C17H16O10 | OC[C@@]12OC[C@H]3O[C@@](CO)(OC[C@@H](O1)[C@H](O)[C@H]2O)[C@@H](O)[C@H]3O | 0 |
C37H56O11 | CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)[C@@]1(C)O[C@@H]41 | 1 |
C21H20N4O6 | CC1=CC(OC(=O)C2=C(C)C(C)=C(O)C(C)=C2O)=CC(O)=C1C(=O)N[C@@H](C(=O)O)[C@H](C)O | 0 |
C23H22N2O3 | COC1=CC(C=CC(=O)OC[C@H]2O[C@@H](OC3=CC(C4=C(O[C@@H]5O[C@H](COC(=O)CC(=O)O)[C@@H](O)C(O)C5O)C=C5C(=CC(O[C@@H]6OC(C[O+]=C(O)C=CC7=CC(OC)=C(O)C(OC)=C7)[C@@H](O)[C@H](O)C6O)=CC5=O)O4)=CC=C3O)C(O)C(O)[C@@H]2O)=CC(OC)=C1O | 0 |
C18H27N3O2.ClH | CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)O)C(C)=NC(=N1)N32.Cl | 1 |
C23H37NO3 | C=C(C(=O)OC)[C@H]1CC[C@H](C)C(CCC(C)=O)=C[C@H]1OC(C)=O | 0 |
C14H8N2O8S2 | COC1=CC=C(CN(CC[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)C(C)=O)C=C1 | 0 |
C16H18O4 | C=C1C=CC(=O)[C@]1(CO)CC1=C(C)C=C(O)C=C1OC | 1 |
C28H38O7 | C[C@]12C[C@H](OC(=O)[C@]1(C)O)[C@@H]([C@]1(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]31C)C2 | 1 |
C30H56O12 | CC(C)CCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 1 |
C17H22O6 | CCN1C[C@]2(CO)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14 | 0 |
C31H46O12 | CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H]1C[C@@H](O)[C@H](OC(=O)[C@H](C)[C@@H](C)OC(C)=O)[C@]21CO1 | 1 |
C18H30O5 | COC1=CC=C(NC(=O)[C@H]2[C@H]3C=C[C@]4(O3)[C@H](C(=O)NC3CCCCC3)N(CCC(C)C)C(=O)[C@@H]24)C=C1 | 0 |
C30H23N5O6S | COC1=CC=C(N2N=C(C)C3=C2C=C2OC4=C(C5=CC=C6C(=O)NC(=S)NC6=N5)C(O)=C(C)C(O)=C4[C@@]2(C)C3=O)C=C1 | 1 |
C25H20O5 | COC1=CC=CC(C(=O)COC2=CC(C)=CC3=C2C(C2=CC=CC=C2)=CC(=O)O3)=C1 | 1 |
C24H16O7 | C=C[C@@H]1C=CC2(OC3=C(C4=CC=C(O)C=C4)C(=O)C(=O)C(C4=CC=C(O)C=C4)=C3O2)O1 | 1 |
C26H32O3 | COC1=CC=C([C@@H]2COC3=C(C=CC(O)=C3C/C=C(\C)CCC=C(C)C)C2)C=C1 | 1 |
C18H23NO3 | CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(CO)[C@]2(O)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 | 0 |
C44H68O16 | CC(=O)O[C@@H](C[C@@H]1C=C(C)C(=O)O1)[C@H](C)[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 | 1 |
C37H54N2O4 | CC(C)[C@H]1C[C@](CCNC(=O)CO/N=C2/C=C3CC[C@H]4[C@H]5CC[C@H](O)[C@@]5(C)CC[C@H]4[C@@]3(C)CC2)(C2=CC=CC=C2)CCO1 | 1 |
C51H98O6 | CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C | 1 |
C23H32O4 | CCC(=O)OC(C)[C@@]1(C)CCC[C@@]2(C)C1CC[C@]1(C)C2C[C@H](OC(=O)CC(C)O)[C@]2(C)C3=C(CCC12)[C@H](C)OC3=O | 0 |
C22H19NO5 | CC(C)(C)S[C@@]1(C#N)C[C@]1(C#N)SC(C)(C)C | 0 |
C30H46O4 | C[C@H]1[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23[C@H](O)C=C[C@@](C)(O)C(=O)[C@@H](C)CC=C[C@H]3C(=O)[C@@H]1C | 0 |
C22H30O7 | C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@H]2OC(=O)[C@](C)(OC(C)=O)[C@@H]21 | 1 |
C26H37N3O3S | CC1=CC=C(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@H](N=[N+]=[N-])CC[C@]5(C)[C@H]4CC[C@@]32C)C=C1 | 1 |
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