Table 2 COVID-19 case: Five clusters of enriched Maximum Common Substructures which were retrieved from DrugBank and the CAS data set

1

[#6](:[#7]:[#6]:[#7]-,:[#6]-,:[#6]-[#6]-[#6]):[#6]

53

PPIA_HUMAN

[#6](-,:[#6]-,:[#6]-[#6]-[#6] = [#6]-[#6])-,:[#6]-,:[#6]

5

PPIA_HUMAN

[#6]:,-[#6]-,:[#7]-,:[#6]:,-[#6]:,-[#6]:,-[#6]:[#6]:[#6]

1

PPIA_HUMAN

2

[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6]-[#6]-[#6]-1

36

R1AB_SARS2

[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2

11

PPIA_HUMAN

[#6]1:[#7]:[#6]:[#7](-[#6]2-[#8]-[#6]-[#6]-[#6]-2):[#7]:1

3

PPIA_HUMAN

[#6]1:[#7]:[#6]:[#7]:[#6](:[#6]:1):[#7](:[#6])-[#6]1-[#8]-[#6]-[#6]-[#6]-1

2

PPIA_HUMAN

[#6]1(-[#6]2:[#6]:[#6]:[#6]3:[#6]:[#7]:[#6]:[#7]:[#7]:2:3)-[#8]-[#6]-[#6]-[#6]-1

1

R1AB_SARS2

3

[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1

8

R1AB_SARS2

[#6]-:[#6]-:[#6](-[#6](= [#8])-[#7]-[#6](:-[#6]:-[#6]):-[#6]:-[#6])-:[#6]-:[#6]

4

R1AB_SARS2

[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#8]-[#6]-[#8]-2

3

R1AB_SARS2

[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1

3

PPIA_HUMAN

[#6](-[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]-1 = [#8])-[#7]-[#6](= [#8])-[#6]

2

R1A_SARS, R1AB_SARS

[#6](-[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]-1 = [#8])-[#7]-[#6](= [#8])-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1

2

R1A_SARS, R1AB_SARS

4

[#6](-[#7]-[#6](= [#8])-[#6]1-[#6](-[#6]-[#6]-[#7]-1-[#6](= [#8])-[#6]-[#7]-[#6] = [#8])-[#6])-[#6]-[#6](= [#8])-[#7]-[#6]1-[#6]-[#6]-1

1

R1AB_SARS2

[#6](-[#7]-[#6](= [#8])-[#6]1-[#6]2-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#7]-1)-[#6]-[#6](= [#8])-[#7]-[#6]1-[#6]-[#6]-1

1

R1AB_SARS2

[#7]1-[#6]-[#6]2-[#6](-[#6]-1-[#6](= [#8])-[#7]-[#6]-[#6]-[#6]1-[#6]-[#6]-[#6]-1)-[#6]-2

1

R1AB_SARS2

5

[#6]12-[#6]-[#6]3-[#6]-[#6](-[#6]-1)-[#6]-[#6](-[#6]-2)-[#6]-3

3

PPIA_HUMAN