formula stringlengths 2 21 | smiles stringlengths 4 474 | label int64 0 1 |
|---|---|---|
C26H32O11 | CC(O)CC(OC(C)CO)O[C@@H]1C(C)O[C@H](OC2CC(O)([C@H](C)O)CC3=C(O)C4=C(C(=O)C5=C(O)C=CC=C5C4=O)C(O)=C32)C[C@@H]1N | 0 |
C27H40O6 | CCC(C)CCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC | 0 |
C29H37N3O5S | COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C1CCN(C2=NC=CC=N2)CC1 | 0 |
C51H61NO8S4 | C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 | 0 |
C30H58O5 | CCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCC(C)C | 1 |
C20H20O7 | CC(C)C[C@@H](C(=O)NC1=CC=C2NC(=O)[C@@H]3CCCN3C(=O)C2=C1)N1CC2=CC=CC=C2C1=O | 0 |
C34H52O11 | CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(CO)[C@H]4CC[C@]23C)OC1=O | 1 |
C18H30N6O | CC1=C(OC2=CC=CC=C2Br)C(=O)C2=CC=C(OC(=O)N3CCOCC3)C=C2O1 | 0 |
C28H46N2O | C[C@H]([C@H]1CC[C@@]2(C)C[C@H]3CC[C@H]4C(=CC3=C[C@]12C)CC[C@@H]1N(C)COC[C@@]14C)N(C)C | 1 |
C29H50O4 | CCCCC[C@@H](C/C=C/CCC(=O)NC[C@H](OC)C1=CC[C@@H](O)[C@@H](C)C1=O)OC | 0 |
C16H22O5 | C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1\C(=O)OC[C@@H]1O | 0 |
C17H25ClO12 | COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@](C)(O)[C@H](Cl)[C@@H](O)[C@]12O | 1 |
C31H58N2O10 | CCC1CCCC(CC)C(=O)NCCCC(CC)C(O[C@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1 | 1 |
C16H22Cl3NO | CC1(C)[C@@H](Cl)[C@@H](O)C[C@@]2(C)C=C(/C=C/N=C(Cl)Cl)CC[C@@H]12 | 1 |
C20H34N2O10 | C1=C\CCCC[N@@]2C[C@@H]3CCCC/C=C\CCCC[N@]4CC[C@H]([C@@H](CCCCCC/1)C4)[C@@H](C3)C2 | 0 |
C22H27ClO5 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC | 0 |
C28H32O7 | COC1=CC=C([C@@H]2C3=CC4=C(OCO4)C(OC)=C3C[C@H]3COC(=O)[C@@H]32)C=C1OC | 0 |
C15H19N3O4S2 | CC(/C=C/[C@H]1O[C@H]([C@@]2(O)OCC[C@@H](C)[C@H]2O)C[C@H]1O)=C\[C@H](C)C[C@@]1(C)CC[C@H]([C@@]23CC[C@@](C)(C[C@H]([C@H]4O[C@@](C)([C@@H](O)[C@@H]5CC[C@@]6(CCC[C@@H]([C@@H](C)C(=O)O)O6)O5)CC4=O)O2)O3)O1 | 0 |
C23H22N2O3 | NC(=O)C[C@@H](NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)O | 1 |
C18H26O3 | CCCCCCC#CC#CC(=O)CCCCCCC(=O)O | 1 |
C28H46O7 | CN(C)CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)C1=CC=CS1 | 0 |
C27H22O18 | CC(C)CCN1CC[C@H](C2=NC3=CC=CC=C3N2)C1 | 0 |
C38H50O7 | CC1=C[C@@H]2O[C@@H](CC(=O)O)[C@H]1[C@@]1(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@H]21 | 0 |
C8H11N3O4 | CCCC1=NN(C)C(C(=O)O)=C1[N+](=O)[O-] | 1 |
C15H14O7 | C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CCC(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CCC1 | 0 |
C17H19NO4 | OC1=CC(O)=C(C2=C(O)C=C(O)C(OC3=CC(O)=C(O)C(O)=C3OC3=CC(O)=C(OC4=CC(O)=C(O)C(O)=C4)C(O)=C3)=C2O)C(O)=C1 | 0 |
C27H48O7 | CC(C)[C@H](O)[C@H](O)C[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@H](O)C[C@]12O | 1 |
C65H126O6 | CCOC(=O)C1=C(C)[C@@H]2OC(=O)[C@@]1(C)[C@H]1C(=O)N(C3=CC=CC=C3Cl)C(=O)[C@@H]21 | 0 |
C42H54O2 | CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(C#CC4=CC=CC=C4)=C[C@@H]4C[C@@H](OC(=O)C5=CC=CC=C5)CC[C@]4(C)[C@H]3CC[C@@]21C | 1 |
C22H28O7 | COC1=CC2=C(C(O)=C1OC)C1=C(C=C(OC)C(OC)=C1O)[C@H](O)[C@@H](C)[C@@H](C)C2 | 1 |
C18H22N2O3 | CC1=CC=C2CN(C(=O)C3CCC3)CC[C@H]3COC(=O)N3C2=C1 | 1 |
C14H26O | CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC | 0 |
C53H70N8O14 | CC[C@@H](C)[C@H]1C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](O)CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H]2CC[C@@H](O)N1C2=O | 1 |
C24H28O9 | CC#CC#CC#C/C=C1/OC[C@@H](O)[C@@H]2O[C@H]12 | 0 |
C30H52O2 | C=C(C)[C@@]1(O)CC[C@H]2[C@](C)(CC[C@@]3(C)[C@@H]4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)[C@@H]1CCCO | 1 |
C20H30O2 | C[C@@H]1CCC2=CC[C@@H]3[C@@H](C[C@@H]([C@@H]4COC(=O)[C@@H]4C4=CNC=C4)C#CC[C@H]4C[C@@]5(O)C6=C7N[C@H](CO)C(=O)C[C@@H](C8=CC=C(O)C=C8)CSSC[C@@H]8[C@@H](O)[C@@H](O)C[C@@](C)([C@@H]8C7=O)[C@H]6CC[C@]5(CCN=C(N)N)[C@H]4[C@@](C)(O)[C@H](O)C[C@H]3C)[C@H]2C1 | 0 |
C15H26O2 | C=C1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@@H]12 | 1 |
C15H20O3 | COC1=C(C2=C(OC)C(=O)C3=C(C=C4OC(C)=CC(=O)C4=C3O)C2=O)C(=O)C2=CC3=C(C(O)=C2C1=O)C(=O)C=C(C)O3 | 0 |
C22H35NO | CC1=CC=CC(C)=C1N1C(=O)[C@@H]2[C@H](CCC(=O)O)N[C@]3(C(=O)NC4=CC=CC=C43)[C@@H]2C1=O | 0 |
C28H20O11 | CC(=O)O[C@H]1[C@@H]2C(=O)C3=C(C)C=C(O)C4=C3[C@@]1(COC4=O)C1=C2C2=C(C)C=C(O)C3=C2[C@@](O)(COC3=O)C1=O | 1 |
C15H26O2 | COC1=CC=CC(/C=C/C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)=C1OC | 0 |
C83H103N5O7 | CCCNCC1=CC2=CC(=C1)CCNCC1=CC=CC(=C1)C1=CC=C(O)C=C1C1=C3C(=O)O/C(=C\[C@H](CC)CC4=CC=CC=C4)[C@@]34CC[C@@H]1[C@@H]1CCC3=C(C(=O)O/C3=C\C[C@]3([C@@H]5CCN[C@H](NC)C5)C[C@H]5C[C@@H](C6(O)CCCC6)C#CC[C@](O)(C6CCCC6)CN[C@@H]2[C@@H]5C3)[C@@H]14 | 1 |
C44H36O22 | O=C(O[C@H](CC1=C(O)C=C(O)C=C1O)[C@H](C1=CC(O)=C(O)C(O)=C1)C1=C(O)C=C(O)C2=C1O[C@H](C1=CC(O)=C(O)C(O)=C1)[C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)C2)C1=CC(O)=C(O)C(O)=C1 | 1 |
C21H22O9 | COC1C(C(=O)O)[C@H](C)[C@]2(O)[C@H]3NC4=C(C=C(O)C5=C4C(=O)C4=C(O)C=CC(O)=C4C5=O)[C@]2(O)[C@@H]1C1=CC=CC=C13 | 0 |
C14H21NO7S | COC1=C(C(C)C)[C@H]2C/C=C(/C)C(OC(C)=O)[C@@]3(O)CC(=O)O/C3=C(\C)CC[C@]2(C)OC1=O | 0 |
C30H36O5 | CC(C)=CCC1=CC([C@H]2OC3=C(C=CC(O)=C3CC=C(C)C)C(=O)[C@@H]2O)=CC(CC=C(C)C)=C1O | 1 |
C65H111N11O13 | COC(=O)C[C@@H]1[C@]2(C)C[C@@]34O[C@@]5(C)OC6([C@@H](OC(C)=O)[C@]3(OC(C)=O)[C@@H]2OC(=O)[C@@]2(C)O[C@H]2C)[C@H](CC(=O)OC)[C@@](C)([C@@H](OC(C)=O)C2=COC=C2)C[C@H](O)C6(O5)[C@@]14C | 0 |
C54H86O24 | CC1(C)CC[C@]2(C(=O)O[C@H]3O[C@@H](CO[C@H]4O[C@@H](CO[C@@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]3O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1 | 1 |
C39H66O13 | CC(C)CC[C@H](O)[C@@H](C)[C@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@]4(C)[C@H]3CC[C@]12C | 1 |
C17H21N3O2 | CC1=CC=CC=C1CN1C[C@H](O)C[C@H]1C1=NC(C2CC2)=NO1 | 1 |
C27H48N2O | CN[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C | 1 |
C23H26N2O4 | O=C1C2=CC=CC=C2C(=O)[C@]12O[C@@H](C1=CC=CC=C1)[C@]1(C(=O)C3=CC=CC=C3C1=O)[C@@H]2C1=CC=CC=C1O | 0 |
C50H96O6 | CCC(C)CCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C | 1 |
C21H20O9 | C=C(C)[C@H]1CC2=C(O1)C(=O)C1=CC(O)=CC(O)=C1C2=O | 0 |
C21H13Cl2NO3 | O=C1OC2=C3CN(C4=CC(Cl)=CC(Cl)=C4)COC3=CC=C2C2=CC=CC=C12 | 1 |
C27H31N3O5 | CC(=O)OC1C=C[C@@]23CCN(CC4=CC5=C(C=C42)OCO5)[C@@H]3C1 | 0 |
C20H34O5S.Na | CC(C)[C@H]1C[C@@H](OS(=O)(=O)[O-])[C@]2(C)CC[C@@]3(C)C[C@@H](O)[C@@]4(C)C[C@H]4[C@@H]3[C@@H]12.[Na+] | 1 |
C21H34N4O | C/C(=N\N)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/N)CC[C@]4(C)[C@@H]3CC[C@@]21C | 1 |
C40H46N4O6 | C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3[C@@H]4OC(=O)[C@@H](OC(C)=O)[C@H]3[C@H](C(=O)OC)O4)[C@H]12 | 0 |
C6H5N3O | COC(=O)[C@H](CC1=CC=C(O)C([N+](=O)[O-])=C1)NC(=O)CON=C1C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O | 0 |
C15H26O | C[C@H]1CC[C@H]2C(C)(C)[C@H](O)[C@@]3(C)CC[C@@]12C3 | 1 |
C20H30O4 | CC(C)(C)NC[C@H](COC1=CC=CC=C1C1CCCC1)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O | 0 |
C20H24O4 | CC(C)CCCCCCCC[C@H]1CC(=O)N[C@@H]([C@H](C)O)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](O)C(=O)O)C(=O)N[C@H](CO)C(=O)N2CC[C@H](O)[C@@H]2C(=O)N[C@@H]([C@@H](O)C(=O)O)C(=O)O1 | 0 |
C30H54O6 | C[C@H]1O[C@H](C2=C(O)C([C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)[C@H](O)[C@@H](O)[C@@H]1O | 0 |
C17H22N4O3S | NC(=O)C1=CC=C(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)C=C1 | 1 |
C44H84O6 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCC | 1 |
C22H23NO6 | COC1=CC=C(CCNC(=O)COC2=CC=C3C(C)=CC(=O)OC3=C2)C=C1OC | 1 |
C24H26O10 | CC12CC[C@@H](C3(C)CO3)CC1O2 | 0 |
C24H46O3 | CC[C@H](C)CCCCCCCCC/C=C\[C@H](C)[C@H](O)CCCCCC(=O)O | 1 |
C22H23NO3 | COC(=O)[C@H](NC(=O)[C@@H]1[C@@H](NC(=O)NC(C)C)CCN1C(=O)C=C(C)C)C(C)C | 0 |
C20H24O6 | C=C[C@]1(C)C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C(=O)O | 1 |
C5H12S | CCSC(C)C | 1 |
C36H59NO12 | CC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)CC(N(C)C)C2O)[C@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@]1(O)CO[C@@H]1OC(C)[C@H](O)[C@H](O)[C@@H]1OC | 1 |
C38H48O20 | CC(C)=CCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C(O)C2=C1OC(C1=CC=C(O)C=C1)=C(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=O | 1 |
C27H30O16 | O=C1C(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C(C2=CC=C(O)C=C2)OC2=CC(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)=CC(O)=C12 | 1 |
C22H16O7 | COC(=O)COC1=CC=C2C(C3=CC4=CC=CC=C4OC3=O)=CC(=O)OC2=C1C | 1 |
C28H34O7 | CC1=C(C)C(=O)O[C@@H]([C@]2(C)OC(=O)[C@]34CC[C@H]5[C@@H](C[C@@H]6O[C@@]67CC=CC(=O)[C@]57C)[C@]3(O)CC[C@H]24)C1 | 1 |
C40H56O3 | CC(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](OC(=O)C1=CC=CC=C1)[C@@]1(C)C3=C(C)[C@H](C4=COC=C4)C[C@@H]3OC(=O)C[C@@H]12 | 0 |
C10H16O4 | C[C@@H]1CC[C@@H](O)/C=C\[C@@H](O)CC(=O)O1 | 1 |
C58H100O6 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC | 1 |
C27H34O8 | C[C@@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@H]12)CC(=O)O | 0 |
C81H142O17P2 | CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H](OC(C)=O)[C@@]2(O)C1 | 0 |
C25H25NO12 | CCOC(=O)CNC(=O)C1O[C@@H](OC2=CC3=C(C(O)=C2O)C(=O)C=C(C2=CC=CC=C2)O3)C(O)C(O)[C@@H]1O | 1 |
C62H100O26 | CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(COC(C)=O)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5[C@H]6CO[C@]5(C)O[C@@]43O6)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4C[C@@H](OC)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 | 1 |
C16H15N3O3 | COC1=CC2=C3C(=NC=C(N4CCOCC4)C3=NC=C2)C1=O | 1 |
C54H70N2O10S2 | COC1=C(O)C=CC2=C1C1=CC=C3C=CC(O)=CC3=C1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCCC1)C1=CC(CO)=C(NCC(C)=O)C3=C1C[C@H](CO)CC3)CC(=O)CC2 | 1 |
C51H58N4O8 | C[C@H](O)CNCN[C@H]1C#CCCOC2=CC(=CC=C2O)[C@H]2OC3=C(C[C@]12OCNC1CCCC1)C1=C(C2=CC=C(O)C=C2[C@@H](CC2=CC=C4NC=CC4=C2)C1)C1=C3CC[C@H](CO)O1 | 1 |
C18H24N4O | CCCCCCCCCCCCCCCCOC[C@@H](COCC1=CC=CC=C1)OCCCCCCCCCCCCCCCC | 0 |
C37H41N3O7 | COC1=CC=C(CCN2C(=O)N[C@@H](CCC(=O)N3CCCC3)C2=O)C=C1OC | 0 |
C27H41N7O10 | COC1=CC=CC=C1CNC(=O)C1=CC=C2N=C(C3=CC=C(C)C=C3)C(C3=CC=C(C)C=C3)=NC2=C1 | 0 |
C18H24O3 | COC1=CC=C(CN2C(C)=CC3=C(C2=O)[C@@H](C2=CC(OC)=C(OC)C(OC)=C2)C(C#N)=C(N)O3)C=C1OC | 0 |
C13H10N2O4 | COC1=CC2=CC=NC3=C2C(=C1OC)NC(=O)C3=O | 1 |
C27H32O6 | C=C(C)[C@@H]1C[C@]2(CC=C(C)C)CC(=O)[C@@H](C(O)=C(C(=O)C3=CC=C(O)C(O)=C3)C2=O)C1(C)C | 1 |
C24H27ClN2O4 | CC(C)(C)C1=CC=C(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC2=NC=CC(C3=CC=C(C4=CC=CC=C4)C=C3)=N2)C=C1 | 0 |
C9H12NO6P | CC1=CC[C@H]2[C@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13 | 0 |
C23H29NO7 | C/C=C(\C=C(C)\C=C(C)/C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC | 1 |
C17H24O10 | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C(=O)C[C@H]2C | 1 |
C20H32O | C=C(C)[C@@H]1CC[C@@]2(C)[C@H]3CCC(C)=C[C@@H](O)[C@@]3(C)CC[C@H]12 | 1 |
C23H40O4 | CCCC[C@H]1C(=O)C(C)=C(C)[C@]1(O)CCCCCCCCCCC(=O)OC | 1 |
C20H26O7 | CC(=C[C@@H](O)[C@H]1[C@H](N=C(N)N)C=C[C@]2(C[C@H](O)[C@]3(C)C4=C5C(=O)C[C@@]23CCCCC[C@@]52CCC(=O)C(C)(C)[C@H]2[C@H](C=CC2=CC=CC=C2)[C@H]4O)[C@H]1C)C(=O)O | 0 |
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