smiles
stringclasses
4 values
h_nmr
listlengths
10k
10k
c_nmr
listlengths
9
16
__index_level_0__
int64
0
3
COc1cc(OC)c2c(=O)cc(C)oc2c1C
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1
COc1c(C)c(OCC=C(C)C)cc2c1CN(CCO)C2=O
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3