Datasets:
BASF-AI
/
CoconutSmiles2NameBitextMining

Dataset card Data Studio Files
xet
 Community
formula
stringlengths
1
139
smiles
stringlengths
1
1.53k
C22H28N4O
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C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H](O)C2
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CCCCCCCCCCCCOC(C)C
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CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)C3=C2[C@@](O)(OC3=O)[C@]1(C)O
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C11H13N3O2
NC1=CC=CC2=C1C(C[C@H](N)C(=O)O)=CN2
C20H24O8S
C[S@+]([O-])C[C@](C)(O)[C@H]1OC(=O)C=C2[C@@]13O[C@@H]3[C@H]1OC(=O)[C@@]3(C)[C@H]4O[C@H]4C[C@@]2(C)[C@@H]13
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COC1=CC(CC2=C(O)C=C(OC)C3=C2C=CC2=CC(O)=C(O)C=C23)=CC=C1O
C22H25N3O4
COC1=CC=C(CN2C[C@H]3CN(C(=O)C4=CC=CC=C4OC)CCN3C2=O)C=C1
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CC1=CN2C=C(C3=CC4=CC=CC=C4O3)N=C2C=C1
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CC(C)CC(=O)C1=CC([C@H](C)O)=CC=C1O
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CCN(CC[C@@]1(CC2=CC=CC=C2)CCOC(C)(C)C1)CC1=CC=C(OC)C=C1
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CC(=O)O[C@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(=O)C2=CC=CC=C2)/C(C)=C/[C@@H]2[C@@H](OC(=O)C3=CC=CC=C3)[C@@H](C)C[C@@]21OC(C)=O
C32H38O15
O=C(OC[C@@H]1O[C@@H](OC2=CC=C(O)C=C2COC(=O)[C@@]2(O)[C@H](O)CCC(=O)[C@@H]2O)[C@H](OC(=O)[C@@H]2C=CCC2)[C@H](O)[C@@H]1O)[C@@H]1C=CCC1
C65H126O6
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
C33H54O8
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
C14H21NO
C=CC[C@H]1CC(C)=C[C@H](CC=C)N1C(C)=O
C27H30O10
COC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C(=O)C3=C(O)C=C(C4CCCCC4)C=C3C(=O)C2=C1
C13H26N2O4S
CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1CC(=O)NCCOC
C21H19NO7S
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C58H112O6
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C
C22H28
CC1=CC=CC2=C3CC[C@@]4(C)CC[C@@H](C)[C@H](C)[C@H]4C3=CC=C12
C21H23NO3
CCCC(=O)N1CCC2=CC(OC)=C(O)C3=C2[C@H]1CC1=CC=CC=C13
C54H86O25
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[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]2C1
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C/C=C1/[C@@H]2CCN3CC[C@]4(C5=CC=C(OC)C(O)=C5N(C(=O)CC)[C@@H]4C2)[C@@H]13
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C/C(=C\[C@H](CO)CC1=CC=CC=C1)CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](O)[C@H]2O
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C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
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O=C1C=CC2=CC=C3OCCC3=C2O1
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C[C@H](CCC(=O)NC1=NN=C([C@H]2CCCO2)S1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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