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TabICLmolprop-demo / data /default_test.csv

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smiles,value
C#CCCCCC,22.0
CCC(C)(C)O,12.1000003814697
CCCCCCC(=O)OC,34.2000007629394
CCC(C)C(C)C,21.8500003814697
CCCCCCCCC,60.9000015258789
C=COCC1CCC(COC=C)CC1,61.099998474121
CCc1ccccc1,6.30000114440918
CCCCO,12.0
CCCCCCCC,58.1999969482421
CCC(C)CCCC(C)C,51.7000007629394

	smiles,value
	C#CCCCCC,22.0
	CCC(C)(C)O,12.1000003814697
	CCCCCCC(=O)OC,34.2000007629394
	CCC(C)C(C)C,21.8500003814697
	CCCCCCCCC,60.9000015258789
	C=COCC1CCC(COC=C)CC1,61.099998474121
	CCc1ccccc1,6.30000114440918
	CCCCO,12.0
	CCCCCCCC,58.1999969482421
	CCC(C)CCCC(C)C,51.7000007629394