Table 1. Families of hydro­carbon molecules studied.

Family	Number	Chemical species
Aromatic hydro­carbons	22	C H
Alcohols	104	C H O
Esters	98	C H O
Chlorinated C6 aromatics	29	C H Cl
Amides	69	C H N O
Amides + pyridines	71	C H N O
Chlorinated ethers	51	C H O Cl
Fluorinated nitrile hydro­carbons	19	C H N F
ROY polymorphs	10	C H N O S