Table 1 Information of the compounds that meet the screening criteria

AICAR (phosphate)

0.48

0.02

0.96

0.06

0.84

0.04

356.23

\({\mathrm{C}}_{9}{\mathrm{H}}_{17}{\mathrm{N}}_{4}{\mathrm{O}}_{9}\mathrm{P}\)

Unknown

Procoxacin

0.54

0.02

0.98

0.07

0.82

0.02

751.00

\({\mathrm{C}}_{42}{\mathrm{H}}_{70}{\mathrm{O}}_{11}\)

Unknown

Asaraldehyde

0.72

0.03

1.08

0.03

0.69

0.04

196.20

\({\mathrm{C}}_{10}{\mathrm{H}}_{12}{\mathrm{O}}_{4}\)

Unknown

Bergapten

0.72

0.04

1.09

0.05

0.71

0.02

216.19

\({\mathrm{C}}_{12}{\mathrm{H}}_{8}{\mathrm{O}}_{4}\)

Cytochrome P450 [23]

Kaempferol

0.73

0.05

1.07

0.07

0.81

0.09

286.24

\({\mathrm{C}}_{15}{\mathrm{H}}_{10}{\mathrm{O}}_{6}\)

Estrogen Receptor [24]

Rotundine

0.76

0.05

1.02

0.08

0.69

0.15

355.43

\({\mathrm{C}}_{21}{\mathrm{H}}_{25}{\mathrm{NO}}_{4}\)

Dopamine/5-HT Receptor [25]

Desaminotyrosine

0.77

0.03

0.99

0.02

0.69

0.09

166.18

\({\mathrm{C}}_{9}{\mathrm{H}}_{10}{\mathrm{O}}_{3}\)

Unknown

Citric acid

0.82

0.01

0.95

0.09

0.60

0.06

281.98

\({\mathrm{C}}_{6}{\mathrm{H}}_{13}{\mathrm{Li}}_{3}{\mathrm{O}}_{11}\)

Unknown

Tetrahydrobiopterin

0.83

0.05

0.93

0.04

0.67

0.07

241.25

\({\mathrm{C}}_{9}{\mathrm{H}}_{15}{\mathrm{N}}_{5}{\mathrm{O}}_{3}\)

Unknown

Cryptotanshinone

0.84

0.06

0.91

0.09

0.71

0.15

296.36

\({\mathrm{C}}_{19}{\mathrm{H}}_{20}{\mathrm{O}}_{3}\)

Unknown

Ursonic acid

0.84

0.01

1.13

0.01

0.55

0.06

454.68

\({\mathrm{C}}_{30}{\mathrm{H}}_{46}{\mathrm{O}}_{3}\)

Unknown

(-)-Sparteine

0.84

0.01

1.07

0.09

0.61

0.10

234.39

\({\mathrm{C}}_{15}{\mathrm{H}}_{26}{\mathrm{N}}_{2}\)

Unknown

Loteprednol Etabonate

0.86

0.02

1.01

0.02

0.87

0.04

466.95

\({\mathrm{C}}_{24}{\mathrm{H}}_{31}{\mathrm{CIO}}_{7}\)

Glucocorticoid Receptor [26]

[6] -Gingerol

0.86

0.04

1.13

0.10

0.66

0.05

294.39

\({\mathrm{C}}_{17}{\mathrm{H}}_{26}{\mathrm{O}}_{4}\)

Unknown

Deoxycholic acid

0.89

0.03

1.11

0.06

0.68

0.10

392.57

\({\mathrm{C}}_{24}{\mathrm{H}}_{40}{\mathrm{O}}_{4}\)

Unknown

Ginsenoside Rg2

0.90

0.03

1.10

0.09

0.55

0.08

785.01

\({\mathrm{C}}_{42}{\mathrm{H}}_{72}{\mathrm{O}}_{13}\)

TLR4 [27]

( +)-Borneol

0.92

0.03

1.07

0.12

0.61

0.08

154.25

\({\mathrm{C}}_{10}{\mathrm{H}}_{18}\mathrm{O}\)

GABA Receptor [28]