BASF-We-Create-Chemistry/CoconutSmiles2NameBitextMining

formula stringlengths 1 139	smiles stringlengths 1 1.53k
C17H12O8	COC1=CC2=C(C(=O)C3=C(C=C(C)C(C(=O)O)=C3O)C2=O)C(O)=C1O
C33H46O10	COC(=O)C(C)(C)C1=CC[C@@H]2[C@@](C)(C(=O)C[C@]3(C)[C@@H]([C@@](C)(O)C(=O)/C=C/C(C)(C)OC(C)=O)[C@H](O)C[C@@]23C)/C1=C/C(=O)O
C27H41NO6	C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C1
C32H42O8	CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O
C17H21NO5	C[C@@H]1NC(=O)/C(=C(\O)[C@H]2[C@@H]3C[C@H](O)C(=O)C[C@H]3C=C[C@H]2C)C1=O
C20H26N2O3	COC1=CC=CC2=C1C=CN2CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1
C13H10O4	O=C(O)C1=CC=CC=C1C1=CC=C(O)C=C1O
C23H27NO7	CC[C@H](NC(=O)COC1=CC2=C(CCC(C)(C)O2)C2=C1C1=C(CCC1)C(=O)O2)C(=O)O
C17H16O4	COC1=C(C)C(O)=CC2=C1C(=O)C[C@@H](C1=CC=CC=C1)O2
C15H20O3	CC1=COC2=C1[C@@H](O)[C@@]1(C)C(=CCC[C@@]1(C)O)C2
C26H34N4O5	CCC(C)[C@H](NC(=O)[C@H](CC(C)C)N1C(=O)N2CCC3=C(NC4=CC=CC=C34)[C@@]2(C)C1=O)C(=O)O
C29H46O7	C=C(CO)[C@@H](CC)C[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
C12H16O4	CC1=CC(=O)[C@H](C(=O)CCC(C)C)C(=O)O1
C12H22O11	OCC1O[C@@H](O)C(O)C(O)C1O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
C16H18N2O5	O=C1NC2=CC=CC=C2O[C@H]1C(=O)N1CCC2(CC1)OCCO2
C65H104O6	CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
C54H104O6	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C
C17H24O10	COC1=CC(C(=O)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1O
C80H144N2O31	CCCCCCCCC=CCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC
C22H28N2O6	COC1=CC2=C(C=C1OC)CN(CC1=COC(O)=C(CN3CCOCC3)C1=O)CC2
C32H50O5	CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)C[C@@H](O)[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3
C20H18O11	O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC(O[C@@H]3OC[C@@](O)(CO)[C@H]3O)=C(O)C(O)=C12
C26H41N3O3S	C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC3=C(N=C(NC(=O)CC(C)(C)C)S3)[C@H](C)[C@@H]2[C@H]1O
C23H30O12	COC1=CC(C=CC(=O)OC[C@H]2O[C@H](OC[C@@H](C)[C@]3(O)COC(=O)C3)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O
C59H114O6	CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC(C)C
C32H46O5	C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)OC)[C@@]1(C)CCC(=O)OC
C21H25NO11	CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC2=CC=C3C(C)=CC(=O)OC3=C2)(C(=O)O)C[C@@H]1O
C14H20O8	OC[C@@H]1O[C@H](OCCC2=CC=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O
C19H15BrN2O4	O=C1O[C@H](N2C(=O)CC[C@H]2C(=O)NC2=CC=CC(Br)=C2)C2=CC=CC=C12
C20H16N2O2	O=C1C2=CC=CC(CO)=C2C=C2C3=C(CCN21)C1=CC=CC=C1N3
C22H28N2O5	CC[C@H]1C[N+]2([O-])CC[C@@]3(C(=O)NC4=CC=CC=C43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
C29H52O6	CC(C)[C@@H](CCO)CC[C@@H](C)[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O
C17H26O3	CC(=O)OC/C(C)=C/[C@@H]1CC[C@@H](C)[C@H]2CC[C@]3(C)O[C@]123
C15H24O	C=C1/C=C\[C@H](C(C)C)CCC(=C)[C@@H](O)CC1
C21H19BrO5	CC1=C(CCC(=O)O)C(=O)OC2=C(C)C(OCC3=CC=C(Br)C=C3)=CC=C12
C21H24N2O5	COC1=C2CN(C)CCC2=C(CNC(=O)COC2=CC=CC=C2)C2=C1OCO2
C83H158O17P2	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
C25H36O2	C/C=C/CCCCCCC[C@@H]1[C@H]2C=C[C@@H]3[C@@H]4[C@H]2[C@H]1C[C@H]4C=C[C@H]3C(=O)OC
C26H40N5	CC(=CCN1C=[N+](C)C2=NC=NC(N)=C21)CC[C@]1(C)C2=C(CC[C@H]1C)C(C)(C)CCC2
C16H16O7	COC1=CC(=O)C2=C(O)C3=C(C[C@](C)(O)[C@H](O)C3)C(O)=C2C1=O
C27H44O8	CC(C)(O)CC[C@@H](O)C(C)(O)[C@H]1[C@@H](O)C[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
C24H19BrO4	CC1=CC=C(COC2=CC=C3C(=O)C(OC4=CC=CC=C4Br)=C(C)OC3=C2)C=C1
C14H15ClN	CC1=CC=C(C)[N+](CC2=CC=C(Cl)C=C2)=C1
C54H104O6	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C
C22H21NO6	CC1=C(C)C2=CC=C(O[C@H](C)C(=O)N[C@H](C(=O)O)C3=CC=CC=C3)C=C2OC1=O
C20H22N2O2	C/C=C1\C[N@+]2(C)CC[C@]34C(=C(C=O)C1C[C@@H]32)NC1=C(O)C=CC=C14
C26H28O14	O=C1C=C(C2=CC=C(O)C=C2)OC2=CC(O[C@@H]3O[C@H](CO[C@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12
C19H20N2O	CC(=O)[C@]12C=CN3C4=C(CCN(CCC1)[C@@H]42)C1=CC=CC=C13
C20H19ClN2O2	CC(C)C(=O)N[C@@H](C1=CC=CC=C1Cl)C1=CC=C2C=CC=NC2=C1O
C61H116O6	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
C19H14O12	O=C1OC2=C(O)C(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)=CC3=C2C2=C(OC3=O)C(O)=C(O)C=C12
C56H108O6	CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C
C57H110O6	CCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)CC
C36H48O12	CC[C@@H](C)C(=O)O[C@H]1[C@@]23O[C@]4(O)[C@@](C)([C@@H](CC(=O)OC)C(C)(C)[C@H](OC(=O)C(C)C)[C@]14O)[C@H]2CC[C@]1(C)C3=CC(=O)O[C@H]1C1=COC=C1
C20H27N3O4S	O=C(NC1CCCCC1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=S)NC1=CC=CC=C1
C15H14N4O3	CC1=CCC(=O)N(C)C2=C1C=NN2C1=CC=C([N+](=O)[O-])C=C1
C25H17Cl2NO2	CC1=CC=C2C(=C1)[C@H]1C3=CC=CC=C3[C@H]2[C@@H]2C(=O)N(C3=CC=C(Cl)C=C3Cl)C(=O)[C@H]12
C15H24O2	C=C(C)[C@H]1CC[C@H](C)[C@H](CCC(C)=O)C(=O)C1
C30H48O5	C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@H]12
C23H28N4O5	COC1=CC=C(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@@H]4CCN(C(=O)C5CCC5)[C@@H]4C(=O)N3C2)C=C1
C57H92O6	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
C21H24N2O4	NCCCC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21)C(=O)O
C50H96O6	CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCC(C)C
C20H32OS	C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@]5(CC[C@@]43C)CS5)[C@H]1CC[C@@H]2O
C25H40NO5	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](O)[C@H]4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCC(C)(C)N5[O]
C22H28N2O4	CC[C@H]1C[C@@H]2CN3CC[C@]4(NC5=CC=C(OC)C=C5C4=O)[C@](C(=O)OC)(C2)[C@@H]13
C26H30O12	C[C@H](O)[C@@H](C)C(=O)OCC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3[C@@](O)([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2=C1
C6H5N3O	O=CC1=CNN2C=CN=C12
C67H130O6	CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCCCCCCCCCC(C)CC
C37H58O6	C=C(C)[C@@H]1CC[C@@]2(COC(=O)CCC(=O)OC)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
C18H15N3O3	O=C(C1=CC=C([N+](=O)[O-])C=C1)N1CCC2=C(C1)C1=CC=CC=C1N2
C10H10O2	O=C1CC[C@@H](O)C2=CC=CC=C12
C58H112O6	CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC(C)C
C18H14O6	COC1=CC(O)=C2C(=O)C(OC(C)=O)=C(C3=CC=CC=C3)OC2=C1
C65H118O6	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
C29H42O8	C=C1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@]4(C)C(=O)O[C@@H]4OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4O)[C@H]2CC[C@@H]1C3
C52H100O6	CCC(C)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
C20H28NO2	C[N+]12CCCC[C@@H]1[C@H](COC(=O)/C=C/C1=CC=CC=C1)CCC2
C27H44O4	C[C@H](CO)CC[C@@H](O)[C@@H](C)[C@H]1[C@@H](O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C
C19H23NO7	C[C@@H]1C[C@H](C)[C@]2(O)CC(=NO2)[C@@H]2[C@@H](O)[C@@H]3OC4=C(C(=O)O[C@@]42C[C@H]3C)C1=O
C31H34N2O6	CC1(C)CCC2=C(C=C(OCC(=O)N3C[C@H]4C[C@@H](C3)C3=CC=CC(=O)N3C4)C3=C2OC(=O)C2=C3CCCC2)O1
C28H40O8	C=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C
C18H21NO7S	COC1=CC(OC)=C2C(C)=C(CC(=O)N[C@@H](CSC)C(=O)O)C(=O)OC2=C1
C51H72O17	COC1=CC(/C=C/C(=O)O[C@H]2[C@H](OC(=O)[C@@]34CCC(C)(C)C[C@@H]3C3=CC[C@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@]5(C)[C@@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)=CC=C1O
C21H20N6S	CC1=NC2=CC=CC=C2N1CCC1=NN(CCC#N)C(=S)N1C1=CC=CC=C1
C26H40O10	CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CC[C@@H](O)[C@@]3(C(C)=O)C2)OC[C@H]1OC(C)=O
C20H26O8	C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O
C32H48O4	CCCCCCC(=O)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CCCCCC)CC[C@@H]12
C20H32O3	C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CC/C(C)=C\CO
C29H42O10	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
C22H28O4	C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12C=C1C=C(O)C(=O)C(C=O)=C1O2
C22H34O6	CC(=O)O[C@H]1CC[C@@](C)(O)/C=C/[C@](O)(C(C)C)CCC2=CCC[C@@]1(C)OC2=O
C31H48O6.Na	CC(=O)O[C@H]1C[C@@]2(C)C(C[C@@H](O)C3[C@@]4(C)CC[C@@H](O)[C@@H](C)C4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)[O-].[Na+]
C28H22O9	C[C@@H]1CC(=O)C2=CC3=C(O)C=C(O)C(C4=C(O)C=C(O)C5=C(O)C6=C(C=C45)O[C@@H](C)CC6=O)=C3C=C2O1
C26H36O11	C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C(=O)OC)[C@@H](OC(=O)[C@@H](C)[C@@H](C)O)[C@@H](OC(=O)[C@](C)(O)[C@@H](C)O)[C@@H]12
C14H13NO3	CC(=O)OC1=CC=C([C@H]2CCC=C(C#N)O2)C=C1
C23H28N2O4	CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](C2=CC=CN=C2)C2=C(CC(C)(C)CC2=O)N1
C24H28O5	CC1(C)CC[C@@H](OC(=O)/C=C/C2=CC=C(O)C=C2)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@H]12
C19H19ClN2O3	COC1=CC=C(C(=O)NCCC2=CNC3=CC=C(Cl)C=C23)C=C1OC
C15H18O2	CC1=C[C@H]2C3=C(C[C@H](C)[C@@H]2CC1=O)OC=C3C

C17H12O8

COC1=CC2=C(C(=O)C3=C(C=C(C)C(C(=O)O)=C3O)C2=O)C(O)=C1O

C33H46O10

COC(=O)C(C)(C)C1=CC[C@@H]2[C@@](C)(C(=O)C[C@]3(C)[C@@H]([C@@](C)(O)C(=O)/C=C/C(C)(C)OC(C)=O)[C@H](O)C[C@@]23C)/C1=C/C(=O)O

C27H41NO6

C[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C1

C32H42O8

CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O

C17H21NO5

C[C@@H]1NC(=O)/C(=C(\O)[C@H]2[C@@H]3C[C@H](O)C(=O)C[C@H]3C=C[C@H]2C)C1=O

C20H26N2O3

COC1=CC=CC2=C1C=CN2CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1

C13H10O4

O=C(O)C1=CC=CC=C1C1=CC=C(O)C=C1O

C23H27NO7

CC[C@H](NC(=O)COC1=CC2=C(CCC(C)(C)O2)C2=C1C1=C(CCC1)C(=O)O2)C(=O)O

C17H16O4

COC1=C(C)C(O)=CC2=C1C(=O)C[C@@H](C1=CC=CC=C1)O2

C15H20O3

CC1=COC2=C1[C@@H](O)[C@@]1(C)C(=CCC[C@@]1(C)O)C2

C26H34N4O5

CCC(C)[C@H](NC(=O)[C@H](CC(C)C)N1C(=O)N2CCC3=C(NC4=CC=CC=C34)[C@@]2(C)C1=O)C(=O)O

C29H46O7

C=C(CO)[C@@H](CC)C[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

C12H16O4

CC1=CC(=O)[C@H](C(=O)CCC(C)C)C(=O)O1

C12H22O11

OCC1O[C@@H](O)C(O)C(O)C1O[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O

C16H18N2O5

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