Table 1 Universal SMILES for structures discussed in the text showing the input SMILES, and the corresponding non-standard InChI and auxiliary information

OCC

InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3

AuxInfo=1/0/N:3,2,1/rA:3OCC/rB:s1;s2;/rC:;;;

CCO

ClCC(=O)Br

InChI=1/C2H2BrClO/c3-2(5)1-4/h1H2

AuxInfo=1/0/N:2,3,5,1,4/rA:5ClCCOBr/rB:s1;s2;d3;s3;/rC:;;;;;

C(C(=O)Br)Cl

C.C

InChI=1/2CH4/h2*1H4

AuxInfo=1/0/N:1;2/rA:2CC/rB:;/rC:;;

C.C

C.CC

InChI=1/C2H6.CH4/c1-2;/h1-2H3;1H4

AuxInfo=1/0/N:2,3;1/E:(1,2);/rA:3CCC/rB:;s2;/rC:;;;

CC.C

C([H])C

InChI=1/C2H6/c1-2/h1-2H3

AuxInfo=1/0/N:1,3/E:(1,2)/rA:3CHC/rB:s1;s1;/rC:;;;

CC

C([2H])O

InChI=1/CH4O/c1-2/h2H,1H3/i1D

AuxInfo=1/0/N:1,3/rA:3CH.i2O/rB:s1;s1;/rC:;;;

C([2H])O