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Table 1 Example repeating units and their SMARTS representations that are suitable for input to OngLai. The default repeating unit is alkyl (CH2)

From: An algorithm to classify homologous series within compound datasets

Repeating unit pseudo-SMILES

Repeating unit chemical name

SMARTS (OngLai input)

CH2

Alkyl

[#6&H2]

CH2CH2O

Ethoxy

[#8]-[#6&H2]-[#6&H2]

CH2CH2CH2O

Propoxy

[#8]-[#6&H2]-[#6&H2]-[#6&H2]

CF2

Perfluoroalkyl

[#6](-[#9])(-[#9])

CF2O

Perfluorinated methyl ether

[#8]-[#6](-[#9])(-[#9])

CF2CF2O

Perfluorinated ethyl ether

[#8]-[#6](-[#9])(-[#9])-[#6](-[#9])(-[#9])

CH2C(CH3) = CCH2

Isoprene

[#6&H2]-[#6](-[#6&H3]) = [#6]-[#6&H2]