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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