Artesunate.cdx
csChFnd80/01271516202D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1)
1

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C19H28O8

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Artesunate

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N/A

>  <Target> (1)
Others

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Free Base

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88495-63-0

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c2

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L1400-01

$$$$
Sclareolide.cdx
csChFnd80/01271516202D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.7875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (2)
2

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C16H26O2

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250.37644

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Sclareolide (Norambreinolide)

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S2355

>  <Synonyms> (2)
Norambreinolide

>  <Target> (2)
Others

>  <Form> (2)
Free Base

>  <URL> (2)
http://www.selleckchem.com/products/Sclareolide(Norambreinolide).html

>  <CAS Number> (2)
564-20-5

>  <Plate Location> (2)
e10

>  <Rack Number> (2)
L1400-01

$$$$
Shikimic acid.cdx
csChFnd80/01271516202D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C7H10O5

>  <MolWeight> (3)
174.1513

>  <Item Name> (3)
Shikimic acid (Shikimate)

>  <Catalog Number> (3)
S2356

>  <Synonyms> (3)
Shikimate, Bracken fern toxic component, L-Shikimic acid 

>  <Target> (3)
Others

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/Shikimic-acid(Shikimate).html

>  <CAS Number> (3)
138-59-0 

>  <Plate Location> (3)
f10

>  <Rack Number> (3)
L1400-01

$$$$
Silibinin.cdx
csChFnd80/01271516202D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C25H22O10

>  <MolWeight> (4)
482.43618

>  <Item Name> (4)
Silibinin (Silybin)

>  <Catalog Number> (4)
S2357

>  <Synonyms> (4)
Silybin

>  <Target> (4)
Others

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (4)
22888-70-6

>  <Plate Location> (4)
g10

>  <Rack Number> (4)
L1400-01

$$$$
Silymarin.cdx
csChFnd80/01271516202D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 27 22  1  0  0  0  0
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  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C25H22O10

>  <MolWeight> (5)
482.43618

>  <Item Name> (5)
Silymarin (Silybin B)

>  <Catalog Number> (5)
S2358

>  <Synonyms> (5)
Silybin B, Silibinin B

>  <Target> (5)
NULL

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (5)
65666-07-1

>  <Plate Location> (5)
h10

>  <Rack Number> (5)
L1400-01

$$$$
Sinomenine.cdx
csChFnd80/01271516202D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 14  8  1  0  0  0  0
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 18 20  1  0  0  0  0
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 21 24  1  0  0  0  0
  8 25  1  6  0  0  0
M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C19H23NO4

>  <MolWeight> (6)
329.39022

>  <Item Name> (6)
Sinomenine (Cucoline)

>  <Catalog Number> (6)
S2359

>  <Synonyms> (6)
Cucoline, Kukoline, Coculine, Sabianine A 

>  <Target> (6)
Others

>  <Form> (6)
Free Base

>  <URL> (6)
http://www.selleckchem.com/products/Sinomenine(Cucoline).html

>  <CAS Number> (6)
115-53-7

>  <Plate Location> (6)
a11

>  <Rack Number> (6)
L1400-01

$$$$
Synephrine.cdx
csChFnd80/01271516202D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C9H13NO2

>  <MolWeight> (7)
167.20502

>  <Item Name> (7)
Synephrine (Oxedrine)

>  <Catalog Number> (7)
S2362

>  <Synonyms> (7)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (7)
Androgen Receptor

>  <Form> (7)
Free Base

>  <URL> (7)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (7)
94-07-5

>  <Plate Location> (7)
b11

>  <Rack Number> (7)
L1400-01

$$$$
Tangeretin.cdx
csChFnd80/01271516202D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C20H20O7

>  <MolWeight> (8)
372.3686

>  <Item Name> (8)
Tangeretin (Tangeritin)

>  <Catalog Number> (8)
S2363

>  <Synonyms> (8)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (8)
Others

>  <Form> (8)
Free Base

>  <URL> (8)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

>  <CAS Number> (8)
481-53-8

>  <Plate Location> (8)
c11

>  <Rack Number> (8)
L1400-01

$$$$
Tanshinone I.cdx
csChFnd80/01271516202D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8248    0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
  6 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C18H12O3

>  <MolWeight> (9)
276.28608

>  <Item Name> (9)
Tanshinone I

>  <Catalog Number> (9)
S2364

>  <Synonyms> (9)
N/A

>  <Target> (9)
Others

>  <Form> (9)
Free Base

>  <URL> (9)
http://www.selleckchem.com/products/Tanshinone-I.html

>  <CAS Number> (9)
568-73-0

>  <Plate Location> (9)
d11

>  <Rack Number> (9)
L1400-01

$$$$
Tanshinone IIA.cdx
csChFnd80/01271516202D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14 20  2  0  0  0  0
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 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C19H18O3

>  <MolWeight> (10)
294.34442

>  <Item Name> (10)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (10)
S2365

>  <Synonyms> (10)
Tanshinone B, Tanshinone II

>  <Target> (10)
Others

>  <Form> (10)
Free Base

>  <URL> (10)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (10)
568-72-9

>  <Plate Location> (10)
e11

>  <Rack Number> (10)
L1400-01

$$$$
Tetrahydropapaverine hydrochloride.cdx
csChFnd80/01271516202D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3992    1.1618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C20H26ClNO4

>  <MolWeight> (11)
379.87774

>  <Item Name> (11)
Tetrahydropapaverine hydrochloride

>  <Catalog Number> (11)
S2367

>  <Synonyms> (11)
N/A

>  <Target> (11)
Others

>  <Form> (11)
Hydrochloride

>  <URL> (11)
http://www.selleckchem.com/products/Tetrahydropapaverine-hydrochloride.html

>  <CAS Number> (11)
6429-04-5 

>  <Plate Location> (11)
g11

>  <Rack Number> (11)
L1400-01

$$$$
Troxerutin.cdx
csChFnd80/01271516202D

 52 56  0  0  0  0  0  0  0  0999 V2000
    4.8371    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1739    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3200    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3200    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13  9  1  0  0  0  0
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 26 13  1  6  0  0  0
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 28 10  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  0  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 38  1  6  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
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 42 43  1  0  0  0  0
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 44 45  1  0  0  0  0
 45 40  1  0  0  0  0
 30 46  1  6  0  0  0
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 42 48  1  1  0  0  0
 43 49  1  6  0  0  0
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 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C33H42O19

>  <MolWeight> (12)
742.67518

>  <Item Name> (12)
Troxerutin

>  <Catalog Number> (12)
S2369

>  <Synonyms> (12)
Trihydroxyethylrutin, Troxerutin

>  <Target> (12)
Others

>  <Form> (12)
Free Base

>  <URL> (12)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (12)
7085-55-4

>  <Plate Location> (12)
h11

>  <Rack Number> (12)
L1400-01

$$$$
Ursolic acid.cdx
csChFnd80/01271516202D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 18 12  1  0  0  0  0
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 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
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 19 25  1  1  0  0  0
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M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C30H48O3

>  <MolWeight> (13)
456.70032

>  <Item Name> (13)
Ursolic acid (Malol)

>  <Catalog Number> (13)
S2370

>  <Synonyms> (13)
Malol, Prunol, Urson

>  <Target> (13)
Others

>  <Form> (13)
Free Base

>  <URL> (13)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (13)
77-52-1

>  <Plate Location> (13)
a1

>  <Rack Number> (13)
L1400-02

$$$$
Vanillylacetone.cdx
csChFnd80/01271516202D

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    7.2620    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C11H14O3

>  <MolWeight> (14)
194.22706

>  <Item Name> (14)
Vanillylacetone

>  <Catalog Number> (14)
S2371

>  <Synonyms> (14)
N/A

>  <Target> (14)
Others

>  <Form> (14)
Free Base

>  <URL> (14)
http://www.selleckchem.com/products/Vanillylacetone.html

>  <CAS Number> (14)
122-48-5

>  <Plate Location> (14)
b1

>  <Rack Number> (14)
L1400-02

$$$$
Xanthone.cdx
csChFnd80/01271516202D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C13H8O2

>  <MolWeight> (15)
196.20142

>  <Item Name> (15)
Xanthone (Genicide)

>  <Catalog Number> (15)
S2372

>  <Synonyms> (15)
Genicide, Benzophenone oxide, Diphenylene ketone oxide 

>  <Target> (15)
Others

>  <Form> (15)
Free Base

>  <URL> (15)
http://www.selleckchem.com/products/Xanthone(Genicide).html

>  <CAS Number> (15)
90-47-1 

>  <Plate Location> (15)
c1

>  <Rack Number> (15)
L1400-02

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/01271516202D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4388    4.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9408    5.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2420    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8874    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  3  1  0  0  0  0
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 15 18  1  0  0  0  0
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 10 23  1  6  0  0  0
 15 24  1  6  0  0  0
 19 25  1  6  0  0  0
 18 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C21H27ClN2O3

>  <MolWeight> (16)
390.90368

>  <Item Name> (16)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (16)
S2373

>  <Synonyms> (16)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (16)
NULL

>  <Form> (16)
Hydrochloride

>  <URL> (16)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (16)
65-19-0 

>  <Plate Location> (16)
d1

>  <Rack Number> (16)
L1400-02

$$$$
5-HTP.cdx
csChFnd80/01271516202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C11H12N2O3

>  <MolWeight> (17)
220.22458

>  <Item Name> (17)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (17)
S2374

>  <Synonyms> (17)
N/A 

>  <Target> (17)
Others

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (17)
56-69-9

>  <Plate Location> (17)
e1

>  <Rack Number> (17)
L1400-02

$$$$
Aloin.cdx
csChFnd80/01271516202D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.6903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 16  9  1  0  0  0  0
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 16 28  1  0  0  0  0
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 30 31  1  0  0  0  0
 10 32  2  0  0  0  0
M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C21H22O9

>  <MolWeight> (18)
418.39398

>  <Item Name> (18)
Aloin (Barbaloin)

>  <Catalog Number> (18)
S2375 

>  <Synonyms> (18)
Barbaloin

>  <Target> (18)
Others

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/Aloin(Barbaloin).html

>  <CAS Number> (18)
1415-73-2 

>  <Plate Location> (18)
f1

>  <Rack Number> (18)
L1400-02

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/01271516202D

 64 69  0  0  0  0  0  0  0  0999 V2000
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   18.1781    7.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4825    4.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1781    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3644   10.9011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 29 24  1  0  0  0  0
  4 30  1  6  0  0  0
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  1 32  1  1  0  0  0
  1 33  1  0  0  0  0
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 33 35  2  0  0  0  0
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  9 37  1  1  0  0  0
 12 38  1  1  0  0  0
 17 39  1  1  0  0  0
 24 40  1  1  0  0  0
 26 41  1  1  0  0  0
 28 42  1  1  0  0  0
 11 43  1  6  0  0  0
 18 44  1  6  0  0  0
 19 45  1  0  0  0  0
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 27 47  1  6  0  0  0
 41 48  1  0  0  0  0
 41 49  2  0  0  0  0
 29 50  1  6  0  0  0
 50 51  1  0  0  0  0
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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C42H65NO16

>  <MolWeight> (19)
839.9626

>  <Item Name> (19)
Ammonium Glycyrrhizinate (AMGZ)

>  <Catalog Number> (19)
S2376

>  <Synonyms> (19)
AMGZ

>  <Target> (19)
Others

>  <Form> (19)
Glycyrrhizinate

>  <URL> (19)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

>  <CAS Number> (19)
1407-03-0

>  <Plate Location> (19)
g1

>  <Rack Number> (19)
L1400-02

$$$$
Biochanin A.cdx
csChFnd80/01271516202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C16H12O5

>  <MolWeight> (20)
284.26348

>  <Item Name> (20)
Biochanin A (4-Methylgenistein)

>  <Catalog Number> (20)
S2377

>  <Synonyms> (20)
4-Methylgenistein

>  <Target> (20)
Others

>  <Form> (20)
Free Base

>  <URL> (20)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

>  <CAS Number> (20)
491-80-5

>  <Plate Location> (20)
h1

>  <Rack Number> (20)
L1400-02

$$$$
Butylscopolamine bromide.cdx
csChFnd80/01271516202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.5396    6.5698    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    8.4722    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0999    5.4760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7970    4.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3953    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6783    6.7887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0999    8.2398    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.9638    6.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    5.0225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6783    7.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1065    4.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874    8.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498   10.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632   11.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    9.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 13 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
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 19  8  1  6  0  0  0
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 10 24  1  1  0  0  0
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 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C21H30BrNO4

>  <MolWeight> (21)
440.3712

>  <Item Name> (21)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (21)
S2378

>  <Synonyms> (21)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (21)
Others

>  <Form> (21)
Bromide

>  <URL> (21)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (21)
149-64-4

>  <Plate Location> (21)
a2

>  <Rack Number> (21)
L1400-02

$$$$
Dioscin.cdx
csChFnd80/01271516202D

 69 77  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    7.5097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.8097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    9.6097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    6.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.5097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    9.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.8097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.5097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    8.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.6097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    6.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.5097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    7.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1201    9.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    8.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    6.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    7.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5450    9.6097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9699    9.6097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9699   11.0097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7575   11.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450   11.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3014    9.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1243   10.3097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3014   11.4424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4557   10.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4557   12.1424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1243   12.5750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.7347   11.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8673   12.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7210   13.7882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.4420   14.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3094   13.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8497   14.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699   12.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575   10.3049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326   10.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704   11.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (22)
22

>  <Formula> (22)
C45H72O16

>  <MolWeight> (22)
869.04358

>  <Item Name> (22)
Dioscin (Collettiside III)

>  <Catalog Number> (22)
S2379

>  <Synonyms> (22)
Collettiside III, CCRIS 4123 

>  <Target> (22)
Others

>  <Form> (22)
Free Base

>  <URL> (22)
http://www.selleckchem.com/products/Dioscin(Collettiside-III).html

>  <CAS Number> (22)
19057-60-4 

>  <Plate Location> (22)
b2

>  <Rack Number> (22)
L1400-02

$$$$
Diosmetin.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C16H12O6

>  <MolWeight> (23)
300.26288

>  <Item Name> (23)
Diosmetin (Luteolin 4-methyl ether)

>  <Catalog Number> (23)
S2380

>  <Synonyms> (23)
Luteolin 4-methyl ether

>  <Target> (23)
Others

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

>  <CAS Number> (23)
520-34-3

>  <Plate Location> (23)
c2

>  <Rack Number> (23)
L1400-02

$$$$
D-Mannitol.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C6H14O6

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>  <Item Name> (24)
D-Mannitol (Osmitrol)

>  <Catalog Number> (24)
S2381 

>  <Synonyms> (24)
Mannitol, Osmitrol, Osmofundin

>  <Target> (24)
Others

>  <Form> (24)
Free Base

>  <URL> (24)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (24)
69-65-8 

>  <Plate Location> (24)
d2

>  <Rack Number> (24)
L1400-02

$$$$
Gastrodin.cdx
csChFnd80/01271516202D

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>  <Mol_ID> (25)
25

>  <Formula> (25)
C13H18O7

>  <MolWeight> (25)
286.27782

>  <Item Name> (25)
Gastrodin (Gastrodine)

>  <Catalog Number> (25)
S2383

>  <Synonyms> (25)
Gastrodine

>  <Target> (25)
Others

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/Gastrodin(Gastrodine).html

>  <CAS Number> (25)
62499-27-8 

>  <Plate Location> (25)
e2

>  <Rack Number> (25)
L1400-02

$$$$
Hematoxylin.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C16H14O6

>  <MolWeight> (26)
302.27876

>  <Item Name> (26)
Hematoxylin (Hydroxybrazilin)

>  <Catalog Number> (26)
S2384

>  <Synonyms> (26)
Hydroxybrazilin, Natural Black 1

>  <Target> (26)
Others

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/Hematoxylin(Hydroxybrazilin).html

>  <CAS Number> (26)
517-28-2

>  <Plate Location> (26)
f2

>  <Rack Number> (26)
L1400-02

$$$$
Hordenine.cdx
csChFnd80/01271516202D

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    6.0580    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C10H15NO

>  <MolWeight> (27)
165.2322

>  <Item Name> (27)
Hordenine

>  <Catalog Number> (27)
S2385

>  <Synonyms> (27)
N,N-dimethyl-4-hydroxyphenylethylamine 

>  <Target> (27)
Others

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/Hordenine.html

>  <CAS Number> (27)
539-15-1 

>  <Plate Location> (27)
g2

>  <Rack Number> (27)
L1400-02

$$$$
Indirubin.cdx
csChFnd80/01271516202D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C16H10N2O2

>  <MolWeight> (28)
262.2628

>  <Item Name> (28)
Indirubin

>  <Catalog Number> (28)
S2386

>  <Synonyms> (28)
N/A

>  <Target> (28)
GSK-3

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (28)
479-41-4 

>  <Plate Location> (28)
h2

>  <Rack Number> (28)
L1400-02

$$$$
Lappaconite Hydrobromide.cdx
csChFnd80/01271516202D

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 28 33  1  6  0  0  0
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 29 35  1  1  0  0  0
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M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C32H45BrN2O8

>  <MolWeight> (29)
665.6123

>  <Item Name> (29)
Lappaconite Hydrobromide

>  <Catalog Number> (29)
S2387

>  <Synonyms> (29)
N/A

>  <Target> (29)
Others

>  <Form> (29)
Hydrobromide

>  <URL> (29)
http://www.selleckchem.com/products/Lappaconite-Hydrobromide.html

>  <CAS Number> (29)
97792-45-5 

>  <Plate Location> (29)
a3

>  <Rack Number> (29)
L1400-02

$$$$
Naringin Dihydrochalcone.cdx
csChFnd80/01271516202D

 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C27H34O14

>  <MolWeight> (30)
582.55046

>  <Item Name> (30)
Naringin Dihydrochalcone (Naringin DC)

>  <Catalog Number> (30)
S2389 

>  <Synonyms> (30)
Naringin DC

>  <Target> (30)
Others

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/Naringin-Dihydrochalcone(Naringin-DC).html

>  <CAS Number> (30)
18916-17-1

>  <Plate Location> (30)
b3

>  <Rack Number> (30)
L1400-02

$$$$
Polydatin.cdx
csChFnd80/01271516202D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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  2 25  1  1  0  0  0
  1 26  1  6  0  0  0
  3 27  1  6  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C20H22O8

>  <MolWeight> (31)
390.38388

>  <Item Name> (31)
Polydatin(Piceid)

>  <Catalog Number> (31)
S2390

>  <Synonyms> (31)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (31)
Others

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (31)
65914-17-2

>  <Plate Location> (31)
c3

>  <Rack Number> (31)
L1400-02

$$$$
Quercetin.cdx
csChFnd80/01271516202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C15H10O7

>  <MolWeight> (32)
302.2357

>  <Item Name> (32)
Quercetin (Sophoretin)

>  <Catalog Number> (32)
S2391

>  <Synonyms> (32)
Meletin, Quercetine

>  <Target> (32)
PI3K, PKC, Src, Sirtuin

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

>  <CAS Number> (32)
117-39-5

>  <Plate Location> (32)
d3

>  <Rack Number> (32)
L1400-02

$$$$
Sesamin.cdx
csChFnd80/01271516202D

 28 33  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0786    4.1670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9  2  1  0  0  0  0
 10  5  1  6  0  0  0
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 11 12  1  0  0  0  0
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 17 14  1  0  0  0  0
 14 18  1  6  0  0  0
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M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C20H18O6

>  <MolWeight> (33)
354.35332

>  <Item Name> (33)
Sesamin (Fagarol)

>  <Catalog Number> (33)
S2392

>  <Synonyms> (33)
Fagarol, Sezamin

>  <Target> (33)
Others

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/Sesamin(Fagarol).html

>  <CAS Number> (33)
607-80-7

>  <Plate Location> (33)
e3

>  <Rack Number> (33)
L1400-02

$$$$
Sorbitol.cdx
csChFnd80/01271516202D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  6  0  0  0
  4 10  1  1  0  0  0
  5 11  1  1  0  0  0
  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C6H14O6

>  <MolWeight> (34)
182.17176

>  <Item Name> (34)
Sorbitol (Glucitol)

>  <Catalog Number> (34)
S2393

>  <Synonyms> (34)
Glucitol 

>  <Target> (34)
Others

>  <Form> (34)
Free Base

>  <URL> (34)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (34)
50-70-4 

>  <Plate Location> (34)
f3

>  <Rack Number> (34)
L1400-02

$$$$
Naringenin.cdx
csChFnd80/01271516202D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C15H12O5

>  <MolWeight> (35)
272.25278

>  <Item Name> (35)
Naringenin

>  <Catalog Number> (35)
S2394

>  <Synonyms> (35)
N/A

>  <Target> (35)
P450

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (35)
480-41-1

>  <Plate Location> (35)
g3

>  <Rack Number> (35)
L1400-02

$$$$
Rheochrysidin.cdx
csChFnd80/01271516202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C16H12O5

>  <MolWeight> (36)
284.26348

>  <Item Name> (36)
Rheochrysidin (Physcione)

>  <Catalog Number> (36)
S2395

>  <Synonyms> (36)
Physcion, Physcione, Parietin, Emodin 3-methyl ether, NSC 251670 

>  <Target> (36)
Others

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/Rheochrysidin-Physcione.html

>  <CAS Number> (36)
521-61-9

>  <Plate Location> (36)
h3

>  <Rack Number> (36)
L1400-02

$$$$
Salidroside.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C14H20O7

>  <MolWeight> (37)
300.3044

>  <Item Name> (37)
Salidroside (Rhodioloside)

>  <Catalog Number> (37)
S2396

>  <Synonyms> (37)
Rhodioloside

>  <Target> (37)
Others

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

>  <CAS Number> (37)
10338-51-9

>  <Plate Location> (37)
a4

>  <Rack Number> (37)
L1400-02

$$$$
Palmatine hydrochloride.cdx
csChFnd80/01271516202D

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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 24 25  1  0  0  0  0
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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C21H22ClNO4

>  <MolWeight> (38)
387.85668

>  <Item Name> (38)
Palmatine chloride

>  <Catalog Number> (38)
S2397

>  <Synonyms> (38)
Palmatine hydrochloride

>  <Target> (38)
Others

>  <Form> (38)
Chloride

>  <URL> (38)
http://www.selleckchem.com/products/Palmatine-chloride.html

>  <CAS Number> (38)
10605-02-4

>  <Plate Location> (38)
b4

>  <Rack Number> (38)
L1400-02

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/01271516202D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C22H18O11

>  <MolWeight> (39)
458.37172

>  <Item Name> (39)
(-)-Epigallocatechin gallate

>  <Catalog Number> (39)
S2250

>  <Synonyms> (39)
EGCG

>  <Target> (39)
Others

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (39)
989-51-5

>  <Plate Location> (39)
b1

>  <Rack Number> (39)
L1400-01

$$$$
(+)-Usniacin.cdx
csChFnd80/01271516202D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C18H16O7

>  <MolWeight> (40)
344.31544

>  <Item Name> (40)
(+)-Usniacin (D-Usnic acid)

>  <Catalog Number> (40)
S2252

>  <Synonyms> (40)
D-Usnic acid

>  <Target> (40)
Others

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

>  <CAS Number> (40)
7562-61-0

>  <Plate Location> (40)
c1

>  <Rack Number> (40)
L1400-01

$$$$
3-Indolebutyric acid.cdx
csChFnd80/01271516202D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (41)
41

>  <Formula> (41)
C12H13NO2

>  <MolWeight> (41)
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3-Indolebutyric acid (IBA)

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S2253

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IBA

>  <Target> (41)
Others

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/3-Indolebutyric-acid(IBA).html

>  <CAS Number> (41)
133-32-4

>  <Plate Location> (41)
d1

>  <Rack Number> (41)
L1400-01

$$$$
4-Methylumbelliferone.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C10H8O3

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4-Methylumbelliferone (4-MU)

>  <Catalog Number> (42)
S2256

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4-MU

>  <Target> (42)
Others

>  <Form> (42)
Free Base

>  <URL> (42)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (42)
90-33-5

>  <Plate Location> (42)
e1

>  <Rack Number> (42)
L1400-01

$$$$
AESCULIN.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C15H16O9

>  <MolWeight> (43)
340.28214

>  <Item Name> (43)
Aesculin (Esculin)

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S2258

>  <Synonyms> (43)
Esculin

>  <Target> (43)
Others

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/Aesculin(Esculin).html

>  <CAS Number> (43)
531-75-9

>  <Plate Location> (43)
f1

>  <Rack Number> (43)
L1400-01

$$$$
Amygdalin.cdx
csChFnd80/01271516202D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C20H27NO11

>  <MolWeight> (44)
457.42848

>  <Item Name> (44)
Laetrile

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S2260

>  <Synonyms> (44)
N/A

>  <Target> (44)
Others

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/Amygdalin.html

>  <CAS Number> (44)
29883-15-6

>  <Plate Location> (44)
g1

>  <Rack Number> (44)
L1400-01

$$$$
Andrographolide.cdx
csChFnd80/01271516202D

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>  <Mol_ID> (45)
45

>  <Formula> (45)
C20H30O5

>  <MolWeight> (45)
350.4492

>  <Item Name> (45)
Andrographolide

>  <Catalog Number> (45)
S2261

>  <Synonyms> (45)
N/A

>  <Target> (45)
Others

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/Andrographolide.html

>  <CAS Number> (45)
5508-58-7

>  <Plate Location> (45)
h1

>  <Rack Number> (45)
L1400-01

$$$$
Apigenin.cdx
csChFnd80/01271516202D

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a2

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Arbutin.cdx
csChFnd80/01271516202D

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>  <Form> (47)
Free Base

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497-76-7

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b2

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Ipriflavone.cdx
csChFnd80/01271516202D

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>  <Formula> (48)
C18H16O3

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>  <Target> (48)
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>  <Form> (48)
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35212-22-7

>  <Plate Location> (48)
c5

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L1400-02

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>  <Target> (49)
p38 MAPK

>  <Form> (49)
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>  <URL> (49)
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>  <CAS Number> (49)
464-92-6

>  <Plate Location> (49)
d2

>  <Rack Number> (49)
L1400-01

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Baicalein.cdx
csChFnd80/01271516202D

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P450

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>  <URL> (50)
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491-67-8

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f2

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L1400-01

$$$$
Baicalin.cdx
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M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C21H18O11

>  <MolWeight> (51)
446.36102

>  <Item Name> (51)
Baicalin

>  <Catalog Number> (51)
S2269

>  <Synonyms> (51)
N/A

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/Baicalin.html

>  <CAS Number> (51)
21967-41-9

>  <Plate Location> (51)
g2

>  <Rack Number> (51)
L1400-01

$$$$
Bengenin.cdx
csChFnd80/01271516202D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 17 20  1  0  0  0  0
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M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C14H16O9

>  <MolWeight> (52)
328.27144

>  <Item Name> (52)
Bergenin (Cuscutin)

>  <Catalog Number> (52)
S2270

>  <Synonyms> (52)
Cuscutin

>  <Target> (52)
Others

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/Bergenin-(Cuscutin).html

>  <CAS Number> (52)
477-90-7

>  <Plate Location> (52)
h2

>  <Rack Number> (52)
L1400-01

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/01271516202D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C20H18ClNO4

>  <MolWeight> (53)
371.81422

>  <Item Name> (53)
Berberine Hydrochloride

>  <Catalog Number> (53)
S2271

>  <Synonyms> (53)
N/A

>  <Target> (53)
Others

>  <Form> (53)
Hydrochloride

>  <URL> (53)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (53)
633-65-8

>  <Plate Location> (53)
a3

>  <Rack Number> (53)
L1400-01

$$$$
beta-Sitosterol.cdx
csChFnd80/01271516202D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C29H50O

>  <MolWeight> (54)
414.7067

>  <Item Name> (54)
¦Â-Sitosterol

>  <Catalog Number> (54)
S2273

>  <Synonyms> (54)
N/A 

>  <Target> (54)
Others

>  <Form> (54)
Free Base

>  <URL> (54)
http://www.selleckchem.com/products/¦Â-Sitosterol.html

>  <CAS Number> (54)
83-46-5

>  <Plate Location> (54)
b3

>  <Rack Number> (54)
L1400-01

$$$$
Bilobalide.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C15H18O8

>  <MolWeight> (55)
326.29862

>  <Item Name> (55)
Bilobalide

>  <Catalog Number> (55)
S2276

>  <Synonyms> (55)
N/A

>  <Target> (55)
Others

>  <Form> (55)
Free Base

>  <URL> (55)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (55)
33570-04-6

>  <Plate Location> (55)
c3

>  <Rack Number> (55)
L1400-01

$$$$
Caffeic acid.cdx
csChFnd80/01271516202D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (56)
56

>  <Formula> (56)
C9H8O4

>  <MolWeight> (56)
180.15742

>  <Item Name> (56)
Caffeic acid

>  <Catalog Number> (56)
S2277

>  <Synonyms> (56)
N/A

>  <Target> (56)
Others

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/Caffeic-acid.html

>  <CAS Number> (56)
331-39-5

>  <Plate Location> (56)
d3

>  <Rack Number> (56)
L1400-01

$$$$
Chlorogenic acid.cdx
csChFnd80/01271516202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C16H18O9

>  <MolWeight> (57)
354.30872

>  <Item Name> (57)
Chlorogenic acid

>  <Catalog Number> (57)
S2280

>  <Synonyms> (57)
N/A

>  <Target> (57)
Others

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (57)
327-97-9

>  <Plate Location> (57)
e3

>  <Rack Number> (57)
L1400-01

$$$$
Chrysin.cdx
csChFnd80/01271516202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C15H10O4

>  <MolWeight> (58)
254.2375

>  <Item Name> (58)
Chrysin

>  <Catalog Number> (58)
S2281

>  <Synonyms> (58)
N/A

>  <Target> (58)
Others

>  <Form> (58)
Free Base

>  <URL> (58)
http://www.selleckchem.com/products/Chrysin.html

>  <CAS Number> (58)
480-40-0

>  <Plate Location> (58)
f3

>  <Rack Number> (58)
L1400-01

$$$$
Cinchonidine.cdx
csChFnd80/01271516202D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C19H22N2O

>  <MolWeight> (59)
294.39078

>  <Item Name> (59)
Cinchonidine

>  <Catalog Number> (59)
S2282

>  <Synonyms> (59)
N/A

>  <Target> (59)
Others

>  <Form> (59)
Free Base

>  <URL> (59)
http://www.selleckchem.com/products/Cinchonidine.html

>  <CAS Number> (59)
485-71-2

>  <Plate Location> (59)
g3

>  <Rack Number> (59)
L1400-01

$$$$
Cryptotanshinone.cdx
csChFnd80/01271516202D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  2  0  0  0  0
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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C19H20O3

>  <MolWeight> (60)
296.3603

>  <Item Name> (60)
Cryptotanshinone

>  <Catalog Number> (60)
S2285 

>  <Synonyms> (60)
N/A

>  <Target> (60)
STAT

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/Cryptotanshinone.html

>  <CAS Number> (60)
35825-57-1

>  <Plate Location> (60)
h3

>  <Rack Number> (60)
L1400-01

$$$$
Cyclosporin A.cdx
csChFnd80/01271516202D

 85 85  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C62H111N11O12

>  <MolWeight> (61)
1202.61124

>  <Item Name> (61)
Cyclosporin A (Cyclosporine A)

>  <Catalog Number> (61)
S2286

>  <Synonyms> (61)
Cyclosporine A 

>  <Target> (61)
Others

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (61)
59865-13-3

>  <Plate Location> (61)
a4

>  <Rack Number> (61)
L1400-01

$$$$
Cytisine.cdx
csChFnd80/01271516202D

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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C11H14N2O

>  <MolWeight> (62)
190.24166

>  <Item Name> (62)
Cytisine (Baphitoxine, Sophorine)

>  <Catalog Number> (62)
S2287

>  <Synonyms> (62)
Baphitoxine, Sophorine 

>  <Target> (62)
Others

>  <Form> (62)
Free Base

>  <URL> (62)
http://www.selleckchem.com/products/Cytisine(Baphitoxine,-Sophorine).html

>  <CAS Number> (62)
485-35-8 

>  <Plate Location> (62)
b4

>  <Rack Number> (62)
L1400-01

$$$$
dihydroartemisinin.cdx
csChFnd80/01271516202D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C15H24O5

>  <MolWeight> (63)
284.34806

>  <Item Name> (63)
Dihydroartemisinin (DHA)

>  <Catalog Number> (63)
S2290

>  <Synonyms> (63)
N/A 

>  <Target> (63)
Others

>  <Form> (63)
Free Base

>  <URL> (63)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (63)
71939-50-9

>  <Plate Location> (63)
c4

>  <Rack Number> (63)
L1400-01

$$$$
Diosmin.cdx
csChFnd80/01271516202D

 43 47  0  0  0  0  0  0  0  0999 V2000
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    0.0000   12.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (64)
64

>  <Formula> (64)
C28H32O15

>  <MolWeight> (64)
608.54468

>  <Item Name> (64)
Diosmin

>  <Catalog Number> (64)
S2292

>  <Synonyms> (64)
N/A

>  <Target> (64)
Others

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/Diosmin.html

>  <CAS Number> (64)
520-27-4

>  <Plate Location> (64)
d4

>  <Rack Number> (64)
L1400-01

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (65)
65

>  <Formula> (65)
C7H16ClNO3

>  <MolWeight> (65)
197.65984

>  <Item Name> (65)
DL-Carnitine hydrochloride

>  <Catalog Number> (65)
S2293

>  <Synonyms> (65)
N/A

>  <Target> (65)
Others

>  <Form> (65)
Hydrochloride

>  <URL> (65)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (65)
461-05-2

>  <Plate Location> (65)
e4

>  <Rack Number> (65)
L1400-01

$$$$
Emodin.cdx
csChFnd80/01271516202D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C15H10O5

>  <MolWeight> (66)
270.2369

>  <Item Name> (66)
Emodin

>  <Catalog Number> (66)
S2295

>  <Synonyms> (66)
N/A

>  <Target> (66)
Others

>  <Form> (66)
Free Base

>  <URL> (66)
http://www.selleckchem.com/products/Emodin.html

>  <CAS Number> (66)
518-82-1

>  <Plate Location> (66)
f4

>  <Rack Number> (66)
L1400-01

$$$$
Enoxolone.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C30H46O4

>  <MolWeight> (67)
470.68384

>  <Item Name> (67)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (67)
S2296

>  <Synonyms> (67)
Glycyrrhetin, Uralenic acid 

>  <Target> (67)
Others

>  <Form> (67)
Free Base

>  <URL> (67)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (67)
471-53-4

>  <Plate Location> (67)
g4

>  <Rack Number> (67)
L1400-01

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C20H16N2O5

>  <MolWeight> (68)
364.35144

>  <Item Name> (68)
10-Hydroxycamptothecin

>  <Catalog Number> (68)
S2423 

>  <Synonyms> (68)
N/A 

>  <Target> (68)
Topoisomerase

>  <Form> (68)
Free Base

>  <URL> (68)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (68)
19685-09-7

>  <Plate Location> (68)
d5

>  <Rack Number> (68)
L1400-02

$$$$
Fisetin.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C15H10O6

>  <MolWeight> (69)
286.2363

>  <Item Name> (69)
Fisetin (Fustel)

>  <Catalog Number> (69)
S2298

>  <Synonyms> (69)
Fustel, Viset

>  <Target> (69)
Others

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (69)
528-48-3

>  <Plate Location> (69)
h4

>  <Rack Number> (69)
L1400-01

$$$$
Formononetin.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C16H12O4

>  <MolWeight> (70)
268.26408

>  <Item Name> (70)
Formononetin (Formononetol)

>  <Catalog Number> (70)
S2299

>  <Synonyms> (70)
Biochanin B, Formononetol 

>  <Target> (70)
Others

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

>  <CAS Number> (70)
485-72-3

>  <Plate Location> (70)
a5

>  <Rack Number> (70)
L1400-01

$$$$
Fumalic acid.cdx
csChFnd80/01271516202D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C10H10O4

>  <MolWeight> (71)
194.184

>  <Item Name> (71)
Fumalic acid (Ferulic acid)

>  <Catalog Number> (71)
S2300

>  <Synonyms> (71)
Ferulic acid

>  <Target> (71)
Others

>  <Form> (71)
Free Base

>  <URL> (71)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

>  <CAS Number> (71)
1135-24-6

>  <Plate Location> (71)
b5

>  <Rack Number> (71)
L1400-01

$$$$
Glycyrrhizic acid.cdx
csChFnd80/01271516202D

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>  <Mol_ID> (72)
72

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C42H62O16

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S2302

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Others

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Free Base

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http://www.selleckchem.com/products/Glycyrrhizic-acid.html

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1405-86-3

>  <Plate Location> (72)
c5

>  <Rack Number> (72)
L1400-01

$$$$
Gossypol.cdx
csChFnd80/01271516202D

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>  <Mol_ID> (73)
73

>  <Formula> (73)
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>  <MolWeight> (73)
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>  <Synonyms> (73)
N/A

>  <Target> (73)
5-alpha Reductase

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/Gossypol.html

>  <CAS Number> (73)
303-45-7

>  <Plate Location> (73)
d5

>  <Rack Number> (73)
L1400-01

$$$$
Gramine.cdx
csChFnd80/01271516202D

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>  <Mol_ID> (74)
74

>  <Formula> (74)
C11H14N2

>  <MolWeight> (74)
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Gramine

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N/A

>  <Target> (74)
Others

>  <Form> (74)
Free Base

>  <URL> (74)
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>  <CAS Number> (74)
87-52-5

>  <Plate Location> (74)
e5

>  <Rack Number> (74)
L1400-01

$$$$

csChFnd80/01271516202D

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>  <Mol_ID> (75)
75

>  <Formula> (75)
C47H80O17

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Gynostemma Extract

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S2306

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N/A

>  <Target> (75)
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>  <URL> (75)
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>  <CAS Number> (75)
80321-63-7 

>  <Plate Location> (75)
f5

>  <Rack Number> (75)
L1400-01

$$$$
Rotundine.cdx
csChFnd80/01271516202D

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    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
  9 27  1  6  0  0  0
M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C21H25NO4

>  <MolWeight> (76)
355.4275

>  <Item Name> (76)
Rotundine

>  <Catalog Number> (76)
S2437

>  <Synonyms> (76)
N/A 

>  <Target> (76)
Dopamine Receptor

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/rotundine.html

>  <CAS Number> (76)
483-14-7

>  <Plate Location> (76)
g5

>  <Rack Number> (76)
L1400-02

$$$$
Hesperetin.cdx
csChFnd80/01271516202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C16H14O6

>  <MolWeight> (77)
302.27876

>  <Item Name> (77)
Hesperetin

>  <Catalog Number> (77)
S2308

>  <Synonyms> (77)
N/A

>  <Target> (77)
Histamine Receptor

>  <Form> (77)
Free Base

>  <URL> (77)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (77)
520-33-2

>  <Plate Location> (77)
g5

>  <Rack Number> (77)
L1400-01

$$$$
Hesperidin.cdx
csChFnd80/01271516202D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2704    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.6953    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3326    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1201   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657   11.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   12.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   11.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   13.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   12.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   13.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  2  9  1  6  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
  5 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  1  0  0  0
  3 29  1  1  0  0  0
 15 30  1  1  0  0  0
 28 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 28  1  0  0  0  0
 16 36  1  6  0  0  0
 14 37  1  6  0  0  0
  4 38  1  6  0  0  0
 27 39  2  0  0  0  0
 34 40  1  0  0  0  0
 33 41  1  0  0  0  0
 41 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C28H34O15

>  <MolWeight> (78)
610.56056

>  <Item Name> (78)
Hesperidin

>  <Catalog Number> (78)
S2309

>  <Synonyms> (78)
N/A

>  <Target> (78)
NULL

>  <Form> (78)
Free Base

>  <URL> (78)
http://www.selleckchem.com/products/Hesperidin.html

>  <CAS Number> (78)
520-26-3

>  <Plate Location> (78)
h5

>  <Rack Number> (78)
L1400-01

$$$$
Honokiol.cdx
csChFnd80/01271516202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C18H18O2

>  <MolWeight> (79)
266.33432

>  <Item Name> (79)
Honokiol

>  <Catalog Number> (79)
S2310

>  <Synonyms> (79)
N/A

>  <Target> (79)
Akt, MEK

>  <Form> (79)
Free Base

>  <URL> (79)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (79)
35354-74-6

>  <Plate Location> (79)
a6

>  <Rack Number> (79)
L1400-01

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/01271516202D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C24H40O4

>  <MolWeight> (80)
392.572

>  <Item Name> (80)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (80)
S2311

>  <Synonyms> (80)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (80)
Others

>  <Form> (80)
Free Base

>  <URL> (80)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (80)
83-49-8

>  <Plate Location> (80)
b6

>  <Rack Number> (80)
L1400-01

$$$$
Icariin.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C33H40O15

>  <MolWeight> (81)
676.6617

>  <Item Name> (81)
Icariin

>  <Catalog Number> (81)
S2312

>  <Synonyms> (81)
N/A

>  <Target> (81)
PDE

>  <Form> (81)
Free Base

>  <URL> (81)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (81)
489-32-7

>  <Plate Location> (81)
c6

>  <Rack Number> (81)
L1400-01

$$$$
Indole-3-carbinol.cdx
csChFnd80/01271516202D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  8  9  2  0  0  0  0
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M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C9H9NO

>  <MolWeight> (82)
147.17386

>  <Item Name> (82)
Indole-3-carbinol

>  <Catalog Number> (82)
S2313

>  <Synonyms> (82)
N/A

>  <Target> (82)
Others

>  <Form> (82)
Free Base

>  <URL> (82)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (82)
700-06-1

>  <Plate Location> (82)
d6

>  <Rack Number> (82)
L1400-01

$$$$
Kaempferol.cdx
csChFnd80/01271516202D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C15H10O6

>  <MolWeight> (83)
286.2363

>  <Item Name> (83)
Kaempferol

>  <Catalog Number> (83)
S2314

>  <Synonyms> (83)
N/A

>  <Target> (83)
Others

>  <Form> (83)
Free Base

>  <URL> (83)
http://www.selleckchem.com/products/Kaempferol.html

>  <CAS Number> (83)
520-18-3

>  <Plate Location> (83)
e6

>  <Rack Number> (83)
L1400-01

$$$$
Kinetin.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C10H9N5O

>  <MolWeight> (84)
215.21136

>  <Item Name> (84)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (84)
S2316

>  <Synonyms> (84)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (84)
Others

>  <Form> (84)
Free Base

>  <URL> (84)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (84)
525-79-1

>  <Plate Location> (84)
f6

>  <Rack Number> (84)
L1400-01

$$$$
Limonin.cdx
csChFnd80/01271516202D

 37 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C26H30O8

>  <MolWeight> (85)
470.5116

>  <Item Name> (85)
Limonin

>  <Catalog Number> (85)
S2319

>  <Synonyms> (85)
N/A

>  <Target> (85)
Others

>  <Form> (85)
Free Base

>  <URL> (85)
http://www.selleckchem.com/products/Limonin.html

>  <CAS Number> (85)
1180-71-8

>  <Plate Location> (85)
h6

>  <Rack Number> (85)
L1400-01

$$$$
Luteolin.cdx
csChFnd80/01271516202D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C15H10O6

>  <MolWeight> (86)
286.2363

>  <Item Name> (86)
Luteolin

>  <Catalog Number> (86)
S2320

>  <Synonyms> (86)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (86)
PDE

>  <Form> (86)
Free Base

>  <URL> (86)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (86)
491-70-3 

>  <Plate Location> (86)
a7

>  <Rack Number> (86)
L1400-01

$$$$
Magnolol.cdx
csChFnd80/01271516202D

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M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C18H18O2

>  <MolWeight> (87)
266.33432

>  <Item Name> (87)
Magnolol

>  <Catalog Number> (87)
S2321

>  <Synonyms> (87)
2,2'-Bichavicol

>  <Target> (87)
Others

>  <Form> (87)
Free Base

>  <URL> (87)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

>  <CAS Number> (87)
528-43-8

>  <Plate Location> (87)
b7

>  <Rack Number> (87)
L1400-01

$$$$
matrine.cdx
csChFnd80/01271516202D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C15H24N2O

>  <MolWeight> (88)
248.36386

>  <Item Name> (88)
Matrine ((+)-Matrine)

>  <Catalog Number> (88)
S2322

>  <Synonyms> (88)
(+)-Matrine

>  <Target> (88)
Opioid Receptor

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/Matrine((+)-Matrine).html

>  <CAS Number> (88)
519-02-8 

>  <Plate Location> (88)
c7

>  <Rack Number> (88)
L1400-01

$$$$
Methyl-Hesperidin.cdx
csChFnd80/01271516202D

 45 48  0  0  0  0  0  0  0  0999 V2000
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   18.1571    9.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.1819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    5.1819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695   11.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902   10.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902   11.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0561    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2685    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  1  9  1  1  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  6  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  6  0  0  0
  2 34  1  6  0  0  0
  3 35  1  6  0  0  0
 11 36  1  6  0  0  0
 13 37  1  6  0  0  0
 12 38  1  1  0  0  0
 19 39  1  0  0  0  0
 23 40  2  0  0  0  0
 31 41  1  0  0  0  0
 30 42  1  0  0  0  0
 42 43  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C29H38O16

>  <MolWeight> (89)
642.60242

>  <Item Name> (89)
Methyl-Hesperidin

>  <Catalog Number> (89)
S2323

>  <Synonyms> (89)
N/A

>  <Target> (89)
Others

>  <Form> (89)
Free Base

>  <URL> (89)
http://www.selleckchem.com/products/Methyl-Hesperidin.html

>  <CAS Number> (89)
11013-97-1

>  <Plate Location> (89)
d7

>  <Rack Number> (89)
L1400-01

$$$$
Morin.cdx
csChFnd80/01271516202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C15H12O8

>  <MolWeight> (90)
320.25098

>  <Item Name> (90)
Morin hydrate (Aurantica)

>  <Catalog Number> (90)
S2325

>  <Synonyms> (90)
N/A

>  <Target> (90)
Others

>  <Form> (90)
Hydrate

>  <URL> (90)
http://www.selleckchem.com/products/Morin-hydrate(Aurantica).html

>  <CAS Number> (90)
6202-27-3

>  <Plate Location> (90)
e7

>  <Rack Number> (90)
L1400-01

$$$$
Myricetin.cdx
csChFnd80/01271516202D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C15H10O8

>  <MolWeight> (91)
318.2351

>  <Item Name> (91)
Myricetin (Cannabiscetin)

>  <Catalog Number> (91)
S2326

>  <Synonyms> (91)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (91)
NULL

>  <Form> (91)
Free Base

>  <URL> (91)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (91)
529-44-2

>  <Plate Location> (91)
f7

>  <Rack Number> (91)
L1400-01

$$$$
Myricitrin.cdx
csChFnd80/01271516202D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C21H20O12

>  <MolWeight> (92)
464.3763

>  <Item Name> (92)
Myricitrin (Myricitrine)

>  <Catalog Number> (92)
S2327

>  <Synonyms> (92)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (92)
Others

>  <Form> (92)
Free Base

>  <URL> (92)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

>  <CAS Number> (92)
17912-87-7

>  <Plate Location> (92)
g7

>  <Rack Number> (92)
L1400-01

$$$$
Nalidixic acid.cdx
csChFnd80/01271516202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C12H12N2O3

>  <MolWeight> (93)
232.23528

>  <Item Name> (93)
Nalidixic acid (NegGram)

>  <Catalog Number> (93)
S2328

>  <Synonyms> (93)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (93)
Others

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (93)
389-08-2

>  <Plate Location> (93)
h7

>  <Rack Number> (93)
L1400-01

$$$$
Naringin.cdx
csChFnd80/01271516202D

 41 45  0  0  0  0  0  0  0  0999 V2000
    6.1009    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    7.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382    7.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    7.9680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9507    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7920    5.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    7.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.0580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7927    6.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7927    3.6331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2927    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0927    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 26 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 23 35  1  1  0  0  0
 32 36  1  1  0  0  0
 31 37  1  6  0  0  0
 34 38  1  6  0  0  0
 33 39  1  6  0  0  0
 24 40  1  6  0  0  0
 35 41  1  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C27H32O14

>  <MolWeight> (94)
580.53458

>  <Item Name> (94)
Naringin (Naringoside)

>  <Catalog Number> (94)
S2329

>  <Synonyms> (94)
Naringoside, Naringenine-7-rhamnosidoglucoside 

>  <Target> (94)
Others

>  <Form> (94)
Free Base

>  <URL> (94)
http://www.selleckchem.com/products/Naringin(Naringoside).html

>  <CAS Number> (94)
10236-47-2 

>  <Plate Location> (94)
a8

>  <Rack Number> (94)
L1400-01

$$$$
Neohesperidin dihydrochalcone.cdx
csChFnd80/01271516202D

 43 46  0  0  0  0  0  0  0  0999 V2000
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.6951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6030    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19  2  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 23 27  1  6  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 20 32  1  1  0  0  0
 22 33  1  1  0  0  0
 28 34  1  1  0  0  0
 30 35  1  1  0  0  0
 21 36  1  6  0  0  0
 29 37  1  6  0  0  0
 32 38  1  0  0  0  0
  6 39  1  0  0  0  0
  9 40  2  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C28H36O15

>  <MolWeight> (95)
612.57644

>  <Item Name> (95)
Neohesperidin dihydrochalcone (Nhdc)

>  <Catalog Number> (95)
S2331

>  <Synonyms> (95)
Nhdc, Neohesperidin dc, Neohesperidin dhc 

>  <Target> (95)
Others

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/Neohesperidin-dihydrochalcone(Nhdc).html

>  <CAS Number> (95)
20702-77-6 

>  <Plate Location> (95)
b8

>  <Rack Number> (95)
L1400-01

$$$$
Nobiletin.cdx
csChFnd80/01271516202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  2  0  0  0  0
 12 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C21H22O8

>  <MolWeight> (96)
402.39458

>  <Item Name> (96)
Nobiletin (Hexamethoxyflavone)

>  <Catalog Number> (96)
S2333

>  <Synonyms> (96)
N/A 

>  <Target> (96)
Others

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

>  <CAS Number> (96)
478-01-3

>  <Plate Location> (96)
d8

>  <Rack Number> (96)
L1400-01

$$$$
Oleanolic Acid.cdx
csChFnd80/01271516202D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.4124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4828    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
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 21 25  1  0  0  0  0
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 27 28  2  0  0  0  0
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  2 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C30H48O3

>  <MolWeight> (97)
456.70032

>  <Item Name> (97)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (97)
S2334

>  <Synonyms> (97)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (97)
Others

>  <Form> (97)
Free Base

>  <URL> (97)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (97)
508-02-1

>  <Plate Location> (97)
e8

>  <Rack Number> (97)
L1400-01

$$$$
Oridonin.cdx
csChFnd80/01271516202D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
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  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
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  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C20H28O6

>  <MolWeight> (98)
364.43272

>  <Item Name> (98)
Oridonin (Isodonol)

>  <Catalog Number> (98)
S2335

>  <Synonyms> (98)
Isodonol

>  <Target> (98)
Others

>  <Form> (98)
Free Base

>  <URL> (98)
http://www.selleckchem.com/products/Oridonin(Isodonol).html

>  <CAS Number> (98)
28957-04-2

>  <Plate Location> (98)
f8

>  <Rack Number> (98)
L1400-01

$$$$
OROTIC ACID.cdx
csChFnd80/01271516202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C5H4N2O4

>  <MolWeight> (99)
156.09626

>  <Item Name> (99)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (99)
S2336

>  <Synonyms> (99)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (99)
Others

>  <Form> (99)
Free Base

>  <URL> (99)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (99)
65-86-1

>  <Plate Location> (99)
g8

>  <Rack Number> (99)
L1400-01

$$$$
Osthole.cdx
csChFnd80/01271516202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 18  2  0  0  0  0
M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C15H16O3

>  <MolWeight> (100)
244.28574

>  <Item Name> (100)
Osthole (Osthol)

>  <Catalog Number> (100)
S2337

>  <Synonyms> (100)
Osthol, Ostole, Ostol

>  <Target> (100)
Others

>  <Form> (100)
Free Base

>  <URL> (100)
http://www.selleckchem.com/products/Osthole(Osthol).html

>  <CAS Number> (100)
484-12-8

>  <Plate Location> (100)
h8

>  <Rack Number> (100)
L1400-01

$$$$
Oxymatrine.cdx
csChFnd80/01271516202D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C15H24N2O2

>  <MolWeight> (101)
264.36326

>  <Item Name> (101)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (101)
S2338

>  <Synonyms> (101)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (101)
Others

>  <Form> (101)
Free Base

>  <URL> (101)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (101)
16837-52-8 

>  <Plate Location> (101)
a9

>  <Rack Number> (101)
L1400-01

$$$$
Paeonol.cdx
csChFnd80/01271516202D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  2 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C9H10O3

>  <MolWeight> (102)
166.1739

>  <Item Name> (102)
Paeonol (Peonol)

>  <Catalog Number> (102)
S2339

>  <Synonyms> (102)
Peonol

>  <Target> (102)
Others

>  <Form> (102)
Free Base

>  <URL> (102)
http://www.selleckchem.com/products/Paeonol(Peonol).html

>  <CAS Number> (102)
552-41-0 

>  <Plate Location> (102)
b9

>  <Rack Number> (102)
L1400-01

$$$$
Parthenolide.cdx
csChFnd80/01271516202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (103)
103

>  <Formula> (103)
C15H20O3

>  <MolWeight> (103)
248.3175

>  <Item Name> (103)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (103)
S2341

>  <Synonyms> (103)
N/A 

>  <Target> (103)
Others

>  <Form> (103)
Free Base

>  <URL> (103)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (103)
20554-84-1

>  <Plate Location> (103)
c9

>  <Rack Number> (103)
L1400-01

$$$$
Phloretin.cdx
csChFnd80/01271516202D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C15H14O5

>  <MolWeight> (104)
274.26866

>  <Item Name> (104)
Phloretin (Dihydronaringenin)

>  <Catalog Number> (104)
S2342

>  <Synonyms> (104)
Dihydronaringenin, Phloretol

>  <Target> (104)
Others

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/Phloretin(Dihydronaringenin).html

>  <CAS Number> (104)
60-82-2

>  <Plate Location> (104)
d9

>  <Rack Number> (104)
L1400-01

$$$$
Phlorizin.cdx
csChFnd80/01271516202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
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 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C21H24O10

>  <MolWeight> (105)
436.40926

>  <Item Name> (105)
Phlorizin (Phloridzin)

>  <Catalog Number> (105)
S2343

>  <Synonyms> (105)
Phlorhizin, Phlorizoside 

>  <Target> (105)
Others

>  <Form> (105)
Free Base

>  <URL> (105)
http://www.selleckchem.com/products/Phlorizin(Phloridzin).html

>  <CAS Number> (105)
60-81-1

>  <Plate Location> (105)
e9

>  <Rack Number> (105)
L1400-01

$$$$
Piperine.cdx
csChFnd80/01271516202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 17  1  0  0  0  0
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M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C17H19NO3

>  <MolWeight> (106)
285.33766

>  <Item Name> (106)
Piperine (1-Piperoylpiperidine)

>  <Catalog Number> (106)
S2344

>  <Synonyms> (106)
Piperin 

>  <Target> (106)
Others

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/Piperine(1-Piperoylpiperidine).html

>  <CAS Number> (106)
94-62-2 

>  <Plate Location> (106)
f9

>  <Rack Number> (106)
L1400-01

$$$$
Puerarin.cdx
csChFnd80/01271516202D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C21H20O10

>  <MolWeight> (107)
432.3775

>  <Item Name> (107)
Puerarin (Kakonein)

>  <Catalog Number> (107)
S2346

>  <Synonyms> (107)
NPI-31G 

>  <Target> (107)
Others

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (107)
3681-99-0

>  <Plate Location> (107)
g9

>  <Rack Number> (107)
L1400-01

$$$$
Quercetin dihydrate.cdx
csChFnd80/01271516202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C15H14O9

>  <MolWeight> (108)
338.26626

>  <Item Name> (108)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (108)
S2347

>  <Synonyms> (108)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (108)
Others

>  <Form> (108)
Dihydrate

>  <URL> (108)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (108)
6151-25-3

>  <Plate Location> (108)
h9

>  <Rack Number> (108)
L1400-01

$$$$
Rutaecarpine.cdx
csChFnd80/01271516202D

 22 26  0  0  0  0  0  0  0  0999 V2000
    5.6805    4.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    2.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    2.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    2.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5302    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5302    4.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    6.8435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  5  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 12  1  0  0  0  0
  6 22  2  0  0  0  0
M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C18H13N3O

>  <MolWeight> (109)
287.31532

>  <Item Name> (109)
Rutaecarpine (Rutecarpine)

>  <Catalog Number> (109)
S2349

>  <Synonyms> (109)
Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine 

>  <Target> (109)
Others

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/Rutaecarpine(Rutecarpine).html

>  <CAS Number> (109)
84-26-4

>  <Plate Location> (109)
a10

>  <Rack Number> (109)
L1400-01

$$$$
Rutin DAB10.cdx
csChFnd80/01271516202D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2620    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   13.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   15.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  1  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
  2 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
  3 34  2  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 25  1  1  0  0  0
 15 37  1  1  0  0  0
 22 38  1  1  0  0  0
 21 39  1  6  0  0  0
 23 40  1  6  0  0  0
 24 41  1  6  0  0  0
 14 42  1  6  0  0  0
 16 43  1  6  0  0  0
M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C27H30O16

>  <MolWeight> (110)
610.5175

>  <Item Name> (110)
Rutin (Rutoside)

>  <Catalog Number> (110)
S2350

>  <Synonyms> (110)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (110)
NULL

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (110)
153-18-4

>  <Plate Location> (110)
b10

>  <Rack Number> (110)
L1400-01

$$$$
Salicin.cdx
csChFnd80/01271516202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  1  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
 17 18  1  0  0  0  0
  2 19  1  6  0  0  0
  3 20  1  1  0  0  0
M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C13H18O7

>  <MolWeight> (111)
286.27782

>  <Item Name> (111)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (111)
S2351

>  <Synonyms> (111)
Salicoside, Salicine

>  <Target> (111)
Others

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (111)
138-52-3

>  <Plate Location> (111)
c10

>  <Rack Number> (111)
L1400-01

$$$$
Sclareol.cdx
csChFnd80/01271516202D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.3951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6076    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8200    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8200    6.9951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6076    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0324    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2449    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0324    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C20H36O2

>  <MolWeight> (112)
308.49864

>  <Item Name> (112)
Sclareol

>  <Catalog Number> (112)
S2354

>  <Synonyms> (112)
N/A

>  <Target> (112)
Others

>  <Form> (112)
Free Base

>  <URL> (112)
http://www.selleckchem.com/products/Sclareol.html

>  <CAS Number> (112)
515-03-7

>  <Plate Location> (112)
d10

>  <Rack Number> (112)
L1400-01

$$$$
Dihydromyricetin.cdx
csChFnd80/01271516202D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
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 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C15H12O8

>  <MolWeight> (113)
320.25098

>  <Item Name> (113)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (113)
S2399

>  <Synonyms> (113)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (113)
Others

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

>  <CAS Number> (113)
27200-12-0

>  <Plate Location> (113)
c4

>  <Rack Number> (113)
L1400-02

$$$$
Sodium Danshensu.cdx
csChFnd80/01271516202D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C9H9NaO5

>  <MolWeight> (114)
220.15453

>  <Item Name> (114)
Sodium Danshensu

>  <Catalog Number> (114)
S2401

>  <Synonyms> (114)
N/A

>  <Target> (114)
P450

>  <Form> (114)
Sodium Salt

>  <URL> (114)
http://www.selleckchem.com/products/Sodium-Danshensu.html

>  <CAS Number> (114)
67920-52-9

>  <Plate Location> (114)
d4

>  <Rack Number> (114)
L1400-02

$$$$
Tetrandrine.cdx
csChFnd80/01271516202D

 46 52  0  0  0  0  0  0  0  0999 V2000
    1.2124   10.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.9976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2124   13.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 38 33  1  0  0  0  0
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M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C38H42N2O6

>  <MolWeight> (115)
622.74988

>  <Item Name> (115)
Tetrandrine (Fanchinine)

>  <Catalog Number> (115)
S2403 

>  <Synonyms> (115)
Fanchinine, Hanfangchin A, NSC 77037, S,S-(+)-Tetrandrine, Sinomenine A, TTD, Tetrandrin, d-Tetrandr 

>  <Target> (115)
Calcium Channel 

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/Tetrandrine-Fanchinine.html

>  <CAS Number> (115)
518-34-3

>  <Plate Location> (115)
e4

>  <Rack Number> (115)
L1400-02

$$$$
Isoliquiritigenin.cdx
csChFnd80/01271516202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C15H12O4

>  <MolWeight> (116)
256.25338

>  <Item Name> (116)
Isoliquiritigenin

>  <Catalog Number> (116)
S2404

>  <Synonyms> (116)
N/A

>  <Target> (116)
Others

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/Isoliquiritigenin.html

>  <CAS Number> (116)
961-29-5

>  <Plate Location> (116)
f4

>  <Rack Number> (116)
L1400-02

$$$$
Sophocarpine.cdx
csChFnd80/01271516202D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C15H22N2O

>  <MolWeight> (117)
246.34798

>  <Item Name> (117)
Sophocarpine

>  <Catalog Number> (117)
S2405 

>  <Synonyms> (117)
N/A

>  <Target> (117)
Others

>  <Form> (117)
Free Base

>  <URL> (117)
http://www.selleckchem.com/products/Sophocarpine.html

>  <CAS Number> (117)
6483-15-4

>  <Plate Location> (117)
g4

>  <Rack Number> (117)
L1400-02

$$$$
Chrysophanic acid.cdx
csChFnd80/01271516202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C15H10O4

>  <MolWeight> (118)
254.2375

>  <Item Name> (118)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (118)
S2406

>  <Synonyms> (118)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (118)
EGFR, mTOR

>  <Form> (118)
Free Base

>  <URL> (118)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (118)
481-74-3

>  <Plate Location> (118)
h4

>  <Rack Number> (118)
L1400-02

$$$$
Curcumol.cdx
csChFnd80/01271516202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C15H24O2

>  <MolWeight> (119)
236.34986

>  <Item Name> (119)
Curcumol

>  <Catalog Number> (119)
S2407

>  <Synonyms> (119)
N/A

>  <Target> (119)
Others

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (119)
4871-97-0

>  <Plate Location> (119)
a5

>  <Rack Number> (119)
L1400-02

$$$$
Astragaloside A.cdx
csChFnd80/01271516202D

 58 65  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117   10.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2661    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4432   10.9278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3242    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5324    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   12.2546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6612    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   12.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   14.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   14.5199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0514   13.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6619   11.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432   15.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   16.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   16.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0809   17.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9620    5.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  4  8  1  1  0  0  0
  3  9  1  6  0  0  0
  1 10  1  6  0  0  0
 11  8  1  1  0  0  0
 11 12  1  0  0  0  0
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 17 31  1  6  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
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 21 43  1  6  0  0  0
 27 44  1  0  0  0  0
 26 45  1  1  0  0  0
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 47 48  1  0  0  0  0
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 49 44  1  0  0  0  0
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 27 55  1  6  0  0  0
 13 56  1  6  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C41H68O14

>  <MolWeight> (120)
784.97022

>  <Item Name> (120)
Astragaloside A

>  <Catalog Number> (120)
S2415

>  <Synonyms> (120)
Cyclosiversioside F

>  <Form> (120)
Free Base

>  <URL> (120)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (120)
83207-58-3

>  <Plate Location> (120)
b5

>  <Rack Number> (120)
L1400-02

$$$$
Neohesperidin.cdx
csChFnd80/01271516202D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.6143    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6143    5.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    5.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392    5.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    5.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    5.2279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 30 43  1  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C28H34O15

>  <MolWeight> (121)
610.56056

>  <Item Name> (121)
Neohesperidin

>  <Catalog Number> (121)
S2332

>  <Synonyms> (121)
N/A

>  <Target> (121)
Others

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/Neohesperidin.html

>  <CAS Number> (121)
13241-33-3 

>  <Plate Location> (121)
c8

>  <Rack Number> (121)
L1400-01

$$$$
Azomycin.cdx
csChFnd80/01271516202D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3810    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4207    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7761    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.9364    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6996    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  8  3  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C3H3N3O2

>  <MolWeight> (122)
113.07482

>  <Item Name> (122)
Azomycin (2-Nitroimidazole)

>  <Catalog Number> (122)
S2267 

>  <Synonyms> (122)
2-Nitroimidazole 

>  <Target> (122)
Others

>  <Form> (122)
Free Base

>  <URL> (122)
http://www.selleckchem.com/products/Azomycin(2-Nitroimidazole).html

>  <CAS Number> (122)
527-73-1 

>  <Plate Location> (122)
e2

>  <Rack Number> (122)
L1400-01

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/01271516202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8287    5.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8387    3.6020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C9H12ClN3O4

>  <MolWeight> (123)
261.66228

>  <Item Name> (123)
Cyclocytidine HCl

>  <Catalog Number> (123)
S1973

>  <Synonyms> (123)
N/A 

>  <Target> (123)
Others

>  <Form> (123)
HCl

>  <URL> (123)
http://www.selleckchem.com/products/cyclocytidine-hcl.html

>  <CAS Number> (123)
10212-25-6

>  <Plate Location> (123)
a1

>  <Rack Number> (123)
L1400-01

$$$$
Hypoxanthine.cdx
csChFnd80/01271516202D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8229    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C5H4N4O

>  <MolWeight> (124)
136.11146

>  <Item Name> (124)
Hypoxanthine

>  <Catalog Number> (124)
S2424

>  <Synonyms> (124)
N/A

>  <Target> (124)
Others

>  <Form> (124)
Free Base

>  <URL> (124)
http://www.selleckchem.com/products/hypoxanthine.html

>  <CAS Number> (124)
68-94-0

>  <Plate Location> (124)
e5

>  <Rack Number> (124)
L1400-02

$$$$
Inosine.cdx
csChFnd80/01271516202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7495    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8822    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C10H12N4O5

>  <MolWeight> (125)
268.22608

>  <Item Name> (125)
Inosine

>  <Catalog Number> (125)
S2442

>  <Synonyms> (125)
N/A

>  <Target> (125)
Others

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (125)
58-63-9

>  <Plate Location> (125)
a6

>  <Rack Number> (125)
L1400-02

$$$$
Vanillin.cdx
csChFnd80/01271516202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  9 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C8H8O3

>  <MolWeight> (126)
152.14732

>  <Item Name> (126)
Vanillin 

>  <Catalog Number> (126)
S3071

>  <Synonyms> (126)
N/A

>  <Target> (126)
Others

>  <Form> (126)
Free Base

>  <URL> (126)
http://www.selleckchem.com/products/vanillin.html

>  <CAS Number> (126)
121-33-5

>  <Plate Location> (126)
b6

>  <Rack Number> (126)
L1400-02

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/01271516202D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C9H10O3

>  <MolWeight> (127)
166.1739

>  <Item Name> (127)
Apocynin (Acetovanillone)

>  <Catalog Number> (127)
S2425

>  <Synonyms> (127)
N/A

>  <Target> (127)
Others

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (127)
498-02-2

>  <Plate Location> (127)
f5

>  <Rack Number> (127)
L1400-02

$$$$
Guanosine.cdx
csChFnd80/01271516202D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C10H13N5O5

>  <MolWeight> (128)
283.24072

>  <Item Name> (128)
Guanosine

>  <Catalog Number> (128)
S2439

>  <Synonyms> (128)
N/A

>  <Target> (128)
Others

>  <Form> (128)
Free base

>  <URL> (128)
http://www.selleckchem.com/products/guanosine.html

>  <CAS Number> (128)
118-00-3

>  <Plate Location> (128)
h5

>  <Rack Number> (128)
L1400-02

$$$$
Triptolide.cdx
csChFnd80/01271516202D

 27 33  0  0  0  0  0  0  0  0999 V2000
    6.1099    4.3264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.1099    5.7263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8800    3.6242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3399    2.2287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5697    4.3264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6089    3.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8800    2.2287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C20H24O6

>  <MolWeight> (129)
360.40096

>  <Item Name> (129)
Triptolide

>  <Catalog Number> (129)
S3604

>  <Synonyms> (129)
N/A

>  <Target> (129)
Others

>  <Form> (129)
Free Base

>  <URL> (129)
http://www.selleckchem.com/products/triptolide.html

>  <CAS Number> (129)
38748-32-2

>  <Plate Location> (129)
c6

>  <Rack Number> (129)
L1400-02

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/01271516202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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>  <Mol_ID> (130)
130

>  <Formula> (130)
C15H12O7

>  <MolWeight> (130)
304.25158

>  <Item Name> (130)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (130)
S2366

>  <Synonyms> (130)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (130)
Others

>  <Form> (130)
Free Base

>  <URL> (130)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (130)
480-18-2

>  <Plate Location> (130)
f11

>  <Rack Number> (130)
L1400-01

$$$$
L(+)-Rhamnose Monohydrate.cdx
csChFnd80/01271516202D

 12 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C6H14O6

>  <MolWeight> (131)
182.17176

>  <Item Name> (131)
L (+)-Rhamnose Monohydrate

>  <Catalog Number> (131)
S2317

>  <Synonyms> (131)
N/A

>  <Target> (131)
Others

>  <Form> (131)
hydrate

>  <URL> (131)
http://www.selleckchem.com/products/L(+)-Rhamnose-Monohydrate.html

>  <CAS Number> (131)
10030-85-0 

>  <Plate Location> (131)
g6

>  <Rack Number> (131)
L1400-01

$$$$
