COMPOUND NAME

ID

NUMBER OF LOCATION WITHIN COORDINATE

TOTAL RESIDUE (>−6)

1QQG

2AYR

3GRF

6T41

7B5Q

7B5O

Isobergaptol

10198122

1

1

1

6

6

6

10-Hydroxycamptothecin

97226

3

2

2

4

3

6

Casticin

5315263

1

2

1

4

5

6

3’’,5’’-Dihydroxyflavanone

11954216

3

1

1

9

3

6

(2S)-2’,7-Dimethoxy-3’,5-dihydroxyflavanone

102066377

2

2

2

6

4

7

Lupanine

91471

1

2

1

4

3

3

Flavanone

10251

2

2

1

4

4

6

Glabranin

124049

2

2

2

5

2

6

Citrinin

54680783

1

1

1

4

4

5

Glabridin

124052

3

2

2

3

4

6

Mycocyclosin

59053147

3

1

1

3

5

6

2,3-Dehydro-UWM6

25195328

3

1

5

5

6

5

Prazepam

4890

4

1

2

3

4

6

(-)-Phaseollinisoflavan

162412

3

2

2

3

4

6

Phaseollidin

119268

3

2

4

5

6

4

Dibenzo[1,4]dioxin-2,3-dione

17036

3

2

1

5

6

5

Glycophymoline

5480

3

2

1

6

4

3

Flindersiachromone

441964

4

2

4

4

3

5

Arborine

63123

3

2

3

5

5

7

Methaqualone

6292

2

2

2

6

6

6

2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol

257428

2

1

2

8

5

5

Tutin

75729

1

1

1

8

4

4

(-)-Abscisic acid

643732

2

NA

0

9

7

NA

Alpha-beta-Dihydroresveratrol

185914

3

NA

2

11

5

6

3-(m-Aminophenyl)-2-(p-methoxyphenyl)acrylonitrile

79559

2

2

2

NA

NA

NA

(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone

79569

3

NA

2

NA

3

6

Bergaptol

5280371

NA

2

1

12

6

5

Bergapten

2355

NA

2

1

8

5

6

Methylarbutin

80131

NA

2

NA

11

3

7

Abscisic acid

5280896

NA

NA

NA

11

5

NA

(+)-8’-Hydroxyabscisic acid

11954194

NA

NA

1

10

4

7

4-hydroxycoumarin

54682930

NA

NA

NA

NA

5

NA

Scopoletin

5280460

NA

NA

NA

NA

8

NA

Triamiphos

13943

NA

NA

NA

NA

6

NA