Natural Compounds

The taste of a selection of natural compounds was predicted using our taste prediction models. This dataset includes compounds that were predicted to either have a sweet (S) or bitter (B) taste. All of these compounds can be found in the Supernatural II Database and can be accessed through the Supernatural ID links.

Supernatural ID	SMILES	Taste	Confidence
SN00500106	CC1CCC(C(C1)O)C(C)C	B	0.966000021
SN00500107	CC1CCC(C(=O)C1)C(C)C	B	0.991999984
SN00500119	C/C(=C/CC/C(=C/CO)C)C	B	0.952000022
SN00500136	C/C(=C/CC/C(=C/CC/C(=C/CO)C)C)C	B	0.966000021
SN00500139	CCCCCCC(=O)C	B	0.987999976
SN00500141	CC1CCC(C(C1)OC(=O)C)C(C)C	B	0.973999977
SN00500155	c1cc(ccc1/C=C/C(=O)c1ccc(cc1O)O)O	B	0.986000001
SN00500265	CC12C3C4C(C(C1(CC1C2(O1)C(=O)O3)O)C(=O)O4)C(C)(C)O	B	0.977999985
SN00500267	CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC1C4(O1)C(=O)O3)O)C	B	0.984000027

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