formula
stringlengths 2
25
| smiles
stringlengths 4
483
|
|---|---|
C15H12O5 | COC1=CC=CC2=C1C(=O)C1=C(O)C(O)=C(C)C=C1O2 |
C23H19N7O2 | CC1=CC=C(C2=NOC([C@@H]3CC4=C(CN3C(=O)NC3=CC=CC(C#N)=C3)N=CN4)=N2)C=C1 |
C25H36O4 | C/C1=C/C[C@]2(C)CC[C@@H](C(C(=O)O)C(=O)O)[C@H]2C/C=C(/C)[C@@H]2CC[C@H](C)/C2=C/C1 |
C65H81NO8 | CN[C@H]1CC2=C(C#CCC[C@]34CC[C@H]5[C@@](O)(C[C@H]6C[C@@H]7[C@@H](C8CCCC8)CC=C[C@H]7C[C@@H]7[C@H]8OCC[C@@H]9C[C@@H](CCC%10=CC=CC=C%10)C[C@@]98C[C@@]5(C=O)[C@]67O)[C@@]3(O)C[C@@H]3C[C@@H]1[C@H]1OC(=O)C=C1[C@@H]34)C=CC=C2CO |
C28H40N4O4 | CNC[C@]12C=C[C@@H]3[C@]4(O)C(C(=O)[O-])=C5C[C@H]6CC[C@@H](CCCC[C@@H]4OC)[C@]53[C@]61C[N+](C(=N)NC)=CC2 |
C27H37N3O2S2 | C[C@H](C(=O)N1CCSCC1)[C@H]1CC[C@]2(C)CC3=C(N=C(NCC4=CC=CC=C4)S3)[C@H](C)[C@@H]2[C@H]1O |
C32H38N2O4 | CC1=C[C@@H]2C=CC[C@H](C)C=C(C)[C@@H](O)[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC2=CNC4=CC=CC=C24)[C@@H]3[C@@H]1C |
C23H22O7 | COC1=C2C(=CC3=C1C(=O)C1=C(O)C=CC(CCC(C)(C)O)=C1O3)O[C@H]1OC=C[C@H]21 |
C20H16O5 | CC1(C)C=CC2=CC(C3=COC4=CC(O)=CC=C4C3=O)=CC(O)=C2O1 |
C22H26N4O2 | NC(=O)C(C(N)=O)=C1C=CC2=N[C@]34CCCC[C@@H]3CC3=C(CCCC3)N4C2=C1 |
C42H57NO7 | CC(C)C[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)CC[C@H]4CC5=C(NC6=CC=C7C(=O)[C@@H]8[C@@H](CC7=C56)C(C)(C)OC8(C)C)[C@@]43C)O[C@@H]2C(C)(C)O1 |
C51H56N2O13 | CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C)C(OC(=O)C4=CC=CC=C4)=C4C(=O)C(=C(NC5=CC=C(C)C=C5)C(=O)C4=C3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C |
C29H32O15 | CC(=O)O[C@H]1[C@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H](O)[C@H]1O |
C21H16O | CC1=CC=C(C2C3=CC=CC=C3C(=O)C3=CC=CC=C32)C=C1 |
C25H20O5 | COC1=CC(OC)=C2C3=C(O)C=CC=C3[C@@H]3OC4=CC=CC=C4[C@H]4CC(=O)C1=C2[C@H]43 |
C43H72O12 | C[C@@H](C/C=C/C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C)(C)[C@H](O[C@H]5O[C@@H](CO)[C@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35CC[C@]12C |
C7H4N2O3 | O=CC1=CC2=NO[N+]([O-])=C2C=C1 |
C15H27NO | CCCN(CCO)CC1=CC[C@H]2C[C@@H]1C2(C)C |
C50H96O6 | CCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC |
C57H102O6 | CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
C47H74O20 | C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](O)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]12 |
C30H52O14 | CCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@@H](O)[C@H]2O)O[C@@H](CO)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C |
C37H66O5 | CCCCCCCCCC/C=C\CC[C@H](O)[C@@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1 |
C37H58O15 | CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)COC(=O)C(OC(=O)CC(C)C)C(C)C |
C44H60O30 | COC(=O)[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@H]3[C@H](OC(C)=O)[C@@H]([C@@H](COC(C)=O)OC(C)=O)O[C@H](OC)[C@H]3OC(C)=O)O[C@H]([C@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
C28H25NO6 | CC1=C(C(=O)OCCOC2=CC=CC=C2)[C@H](C2=COC3=CC=CC=C3C2=O)C2=C(CCCC2=O)N1 |
C14H18O3 | OC/C=C/C#CC#C[C@@H](O)/C=C\CCCCO |
C24H23N3O6 | O=C(O)COCC(=O)N[C@H]1CCN2C(=O)C3=CC(/C=C/C4=CC=CC=C4)=CC=C3NC(=O)[C@H]12 |
C22H37NO | C[C@]12CCCCC1CCC1C2CC[C@@]2(C)C1CC[C@@]2(O)CN1CC1 |
C47H61N3O6S2 | CC[C@@]12C#C[C@@H]3C=C[C@@H](C4=CC=C(O)C(O[C@@H]5C[C@H](CC6=CC=CN6)C6=CC=NC(N)=C6CSSC[C@H](CO)[C@H]5O)=C4)C[C@@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC21CCCC1 |
C61H91N5O12 | CC[C@H]1C[C@H](C)[C@@]2(NC1=O)O[C@@H](C[C@H](O)[C@@H](C)CC/C=C/C=C(\C)[C@@H]1C/C=C/C=C/[C@H](O)[C@@H](C)[C@H]3O[C@](C)(OC)CC[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC(O)=C3)C(=O)N3CCC[C@H](N3)C(=O)O1)[C@H](C)C=C2C |
C64H101NO16 | C/C(=C\C=C\C=C\C=C\CC/C=C/[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)[C@@H](C)C(=O)C[C@H](O)C[C@H](O)C[C@@H](O)/C=C/C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)/C=C/C[C@@H](O)/C=C/C[C@H](O)C[C@H](O)CCCN)C(=O)O |
C29H40O11 | C[C@]12CC[C@H]3[C@@H](CC[C@]4(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5O[C@H]5CC[C@]34O)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1 |
C18H17NO4 | C=CCC1N(C2=CC=CC=C2)C(=O)[C@@H]2C(C(=O)O)[C@H]3C=C[C@@]12O3 |
C15H16N4O2 | CC1=CC=C(CN2C(=O)C3=C(N=CN3C)N(C)C2=O)C=C1 |
C24H24BrNO5 | C[C@@H]1CCCCN1CC1=C(O)C=CC2=C1O/C(=C\C1=CC(Br)=CC3=C1OCOC3)C2=O |
C22H12BrClO5 | O=C(OC1=CC=C2C(=O)C(OC3=CC=CC=C3Br)=COC2=C1)C1=CC=C(Cl)C=C1 |
C19H27N3O3 | COC1=CC=C(CN2CC3(C2)CN(C(C)=O)C[C@@H]2C[C@@H](O)CN23)C=C1 |
C26H22O7 | COC1=CC=CC(OC)=C1C(=O)OC1=CC=C2C(=O)C(OC3=CC(C)=CC=C3C)=COC2=C1 |
C36H47Cl2N7O12 | COC[C@@H]1NC(=O)[C@@H]2CCCNN2C(=O)[C@H](C(C)C)OC(=O)[C@@H](C2(C)CC2)NC(=O)[C@@H]2C[C@@]3(O)C4=CC=C(Cl)C(Cl)=C4N[C@H]3N2C(=O)[C@@H]([C@H](O)CC(=O)O)NC1=O |
C20H18O6 | CCOC(=O)C1=C(C)C2=CC(CC(=O)C3=CC=C(O)C=C3O)=CC=C2O1 |
C19H15Cl3O2 | O=C(OC[C@H]1C[C@H]2C3=CC=CC=C3[C@@H]1C1=CC=CC=C12)C(Cl)(Cl)Cl |
C36H54O13 | C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(OC(=O)[C@H](C)CC)[C@H](O)[C@@H]2[C@H]1OC(=O)[C@H](C)CC |
C32H42O15 | COC1=CC([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3C2=CC=C(O[C@@H]3O[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(OC)=C2)=CC=C1O |
C15H16O2 | C=C[C@H](C1=CC=CC=C1)[C@@H]1C[C@@H](O)C=CC1=O |
C20H16Cl2O5 | CC1=C(CC(=O)O)C(=O)OC2=C(C)C(OCC3=C(Cl)C=CC=C3Cl)=CC=C12 |
C62H98O30 | CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=C[C@H](O)[C@]89C(=O)O[C@@](C)(CCC=C(C)C)[C@@]8(O)[C@@H](OC(C)=O)C[C@@]9(C)[C@@H]7CC[C@H]6C5(C)C)OC[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4O)O[C@@H]3C)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O |
C16H22BrN5 | N=C(N)NCCCC[C@@H]1NCCC2=C1NC1=CC(Br)=CC=C21 |
C49H63N3O11 | CCCCCCCCCCCCCC(=O)O[C@@]12C(=O)C(C)=C[C@@H]1[C@H]1[C@@]3([C@@H]2C=C(COC(=O)C2=CC=C(N=NC4=CC=C([N+](=O)[O-])C=C4)C=C2)C[C@H](OC(C)=O)[C@@H]3C)[C@@]1(O)C(C)(C)O |
C20H18O5 | COC1=CC=CC2=C1COC1=CC=C3C[C@@](C)(O)CC(=O)C3=C1C2=O |
C19H26O3 | C/C=C\C(=O)O[C@@H]1CCC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C |
C22H26N2O4 | C/C=C1\CN2CC[C@@]34C5=CC(O)=CC=C5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25 |
C28H30O6 | C=C(C)[C@@H](CC=C(C)C)CC1=C2OC(C)(C)C=CC2=C(O)C2=C1OC1=C(O)C(O)=CC=C1C2=O |
C16H20N2O4 | COCCN1C(=O)CO[C@H]2CN(C(=O)C3=CC=CC=C3)C[C@H]21 |
C25H39NO3 | CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](C)N1 |
C24H39NO2 | CC(=O)N(CC[C@@]1(CCC(C)C)CCO[C@H](C(C)C)C1)CC1=CC=CC=C1 |
C13H16O3 | CCCC[C@@H]1OC(=O)C2=C(OC)C=CC=C21 |
C54H104O6 | CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C |
C30H48O5 | CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)C(=O)O)CC3=CC[C@@H]12 |
C64H104O31 | C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@H]6OC[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]45C)[C@@]3(C)CO)O[C@H](CO)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
C17H20N2O2 | O[C@H]1[C@H](NCC2=CC=CC=C2)[C@@H](C2=CC=NC=C2)C[C@H]1O |
C23H24O6 | COC1=CC=C(C2=COC3=C(CC=C(C)C)C(O)=C(OC)C=C3C2=O)C=C1OC |
C21H20O9 | C[C@H]1O[C@@H](C2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=CC3=O)[C@@H](O)[C@@H](O)[C@@H]1O |
C40H56O23S | C[C@@H]1CO[C@@]2(C[C@@H]1OC(=O)C1=CC=C(O)C=C1)O[C@@H]1[C@@H]3[C@H](C[C@H](O)[C@]1(O)C2=O)[C@@H](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]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)C[S@@+]3[O-] |
C28H23Cl2N3O3 | COC1=CC=CC=C1C1C2=C(C[C@H]3C(=O)N(CC4=CC=C(Cl)C(Cl)=C4)CC(=O)N13)C1=CC=CC=C1N2 |
C49H72N10O13 | C=C1NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC(C)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC1=O |
C59H102O6 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
C23H24N4O2 | O=C(CCCNC(=O)C1=CC2=CC=CC=C2N1)NCCC1=CNC2=CC=CC=C12 |
C24H25NO10 | COC1=CC(/C=C2/OC3=CC(OCC(=O)N[C@H](C(=O)O)C(C)O)=CC=C3C2=O)=CC(OC)=C1OC |
C27H41N3 | CC1=C[C@@H](CNCC2CCCCC2)[C@H](C(C)C)C[C@H]1CC1=NC2=CC=CC(C)=C2N1 |
C17H17Br2N5O6 | OC[C@H]1O[C@@H](N2C=NC3=CNC(=NCC4=CC(O)=C(O)C(Br)=C4Br)N=C32)[C@H](O)[C@@H]1O |
C22H22O11 | COC1=C(OC2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2CO)C=CC2=C1O/C(=C\C1=CC=C(O)C(O)=C1)C2=O |
C20H26O5 | C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCC1=COC=C1 |
C22H32O6S | C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COS(C)(=O)=O |
C27H34 | CC1=CC=C2C(=C1CC1=CC=CC=C1)CC[C@H]1[C@@H]2CC[C@H]2CCCC[C@@]21C |
C38H48O25 | OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O |
C23H25NO5 | COC1=CC=C(C2=C(C)OC3=CC(OCCN4CCOCC4)=CC=C3C2=O)C=C1 |
C19H14O7 | COC1=CC(O)=C2C(=O)C3=C(OC)C=C4O[C@@H]5OC=C[C@@H]5C4=C3OC2=C1 |
C21H22O9 | O=C(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C1=C(O)C=C(O)C=C1C=CC1=CC=CC=C1 |
C53H90O22 | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@]12C |
C30H48O3 | C[C@@H]1CC[C@]2(C)CC[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]2[C@H]1C(=O)O |
C28H32O15 | COC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)C=C3O2)=CC=C1O |
C21H31NO2 | CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CN1[C@H](C)C1=CC=CC=C1 |
C31H50O5 | COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |
C21H32O8 | C/C1=C/C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 |
C18H19N5O5 | CCOC(=O)C1=CC=CC=C1NC(=O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
C18H26N2O2 | CCCCCCN1C[C@@H]2OC3=CC=CC=C3C(=O)N(C)[C@@H]2C1 |
C34H59NO7 | CCC[C@H](C[C@@H]1CC[C@H]([C@@H](C)[C@@H]2OC(=O)[C@@H](C)[C@H]3CC[C@@H](C[C@H](CCC)OC(=O)[C@H](C)[C@H]4CC[C@H](O4)[C@H]2C)O3)O1)NC |
C94H156N24O24 | CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CNCCO)CC1=CC=CC=C1)C(C)C)C(C)C |
C16H20N2O6 | COC1=CC=C(C)C(C(=O)[C@@]2(C)NC(=O)CC[C@H](N)C(=O)O2)=C1O |
C28H16O8 | O=C1C=CC(=C2C(=O)C3=CC(O)=CC4=C3[C@@](C3=CC=C(O)C=C3)(C(=O)O4)C3=CC(O)=CC(O)=C23)C=C1 |
C9H18O3 | O=C(O)CCCCCCCCO |
C20H30O2 | CC1=CC[C@@H]2C(C)(C)CC(=O)C[C@@]2(C)[C@@H]1CC/C(C)=C/C=O |
C27H25N5O3 | CC1=NC2=CC(NC(=O)C[C@@H]3NC(=O)C4=CC=CC=C4NC3=O)=CC=C2N1CCC1=CC=CC=C1 |
C12H18O6 | COC(=O)C1=C(C)C[C@@H](O)[C@@H]1[C@H](CO)C(=O)OC |
C33H38O10 | CC(=O)O[C@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]3(OC2(C)C)[C@@](C)([C@@H](OC(=O)C2=CC=CC=C2)CC[C@]3(C)O)[C@H]1OC(=O)C1=CC=CC=C1 |
C22H19N3O4 | COC1=CC=C(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(N)=O)N2C=CC4=CC=CC=C4[C@@H]32)C=C1 |
C20H26O5 | CC(C)C1=CC2=C(C(O)=C1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@](O)(OC3)C2=O |
C20H24O4 | C=C1CC[C@@H]2C(=C)C[C@H](OC(=O)/C(C)=C/C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 |
C86H99N3O7 | COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@@H]4C=CC[C@H](C5CCCC5)C4)[C@H]4C[C@@]56CC[C@]7(CCC[C@H]7CC7=CC(=CC=C7)CC7=CC=C(C=C7)C[C@H]7C[C@]89C#CCC%10=CN=CN%10CC[C@H]8[C@@H]8C=CC(C[C@]8%10C=C[C@H]7[C@H]9C%10)C7=CC(=CC=C7)[C@H]5[C@@H]4C[C@H]3[C@H]2[C@@H]1CO)C6 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.