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>  <Mol_ID> (1)
13

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C53H84NO14P

>  <MolWeight> (1)
990.206121

>  <Cat> (1)
S1022

>  <Name> (1)
Deforolimus (MK-8669) 

>  <Synonyms> (1)
AP23573, MK-8669

>  <Target> (1)
mTOR

>  <Form> (1)
Free Base

>  <CAS> (1)
572924-54-0

>  <URL> (1)
http://www.selleckchem.com/products/Deforolimus.html

$$$$
1.cdx
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M  END
>  <Mol_ID> (2)
26

>  <Formula> (2)
C19H16N4O3

>  <MolWeight> (2)
348.35534

>  <Cat> (2)
S1038

>  <Name> (2)
PI-103

>  <Synonyms> (2)
N/A

>  <Target> (2)
DNA-PK, PI3K, mTOR

>  <Form> (2)
Free Base

>  <CAS> (2)
371935-74-9

>  <URL> (2)
http://www.selleckchem.com/products/PI-103.html

$$$$
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M  END
>  <Mol_ID> (3)
27

>  <Formula> (3)
C51H79NO13

>  <MolWeight> (3)
914.17186

>  <Cat> (3)
S1039

>  <Name> (3)
Rapamycin (Sirolimus)

>  <Synonyms> (3)
N/A 

>  <Target> (3)
mTOR 

>  <Form> (3)
Free Base

>  <CAS> (3)
53123-88-9

>  <URL> (3)
http://www.selleckchem.com/products/Rapamycin.html

$$$$

csChFnd80/01032011532D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4)
48

>  <Formula> (4)
C25H23Cl2N5O

>  <MolWeight> (4)
480.38902

>  <Cat> (4)
S1078

>  <Name> (4)
MK-2206 dihydrochloride

>  <Synonyms> (4)
N/A

>  <Target> (4)
Akt

>  <Form> (4)
Dihydrochloride

>  <CAS> (4)
1032350-13-2

>  <URL> (4)
http://www.selleckchem.com/products/MK-2206.html

$$$$
Everolimus.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (5)
74

>  <Formula> (5)
C53H83NO14

>  <MolWeight> (5)
958.22442

>  <Cat> (5)
S1120

>  <Name> (5)
Everolimus (RAD001)

>  <Synonyms> (5)
Certican, Zortress, Afinitor

>  <Target> (5)
mTOR

>  <Form> (5)
Free Base

>  <CAS> (5)
159351-69-6

>  <URL> (5)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
SRT1720.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (6)
77

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C25H24ClN7OS

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SRT1720 HCl

>  <Synonyms> (6)
N/A

>  <Target> (6)
Sirtuin

>  <Form> (6)
Hydrochloride

>  <CAS> (6)
1001645-58-4

>  <URL> (6)
http://www.selleckchem.com/products/SRT1720.html

$$$$
untitled.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (7)
102

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C21H20N4

>  <MolWeight> (7)
328.4103

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S1172

>  <Name> (7)
JNJ 26854165 (Serdemetan)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
p53 

>  <Form> (7)
Free Base

>  <CAS> (7)
881202-45-5

>  <URL> (7)
http://www.selleckchem.com/products/JNJ-26854165.html

$$$$
KU-0063794.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (8)
136

>  <Formula> (8)
C25H31N5O4

>  <MolWeight> (8)
465.54474

>  <Cat> (8)
S1226

>  <Name> (8)
Ku-0063794

>  <Synonyms> (8)
N/A

>  <Target> (8)
mTOR 

>  <Form> (8)
Free Base

>  <CAS> (8)
938440-64-3

>  <URL> (8)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (9)
140

>  <Formula> (9)
C19H26O3

>  <MolWeight> (9)
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>  <Cat> (9)
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>  <Name> (9)
2-Methoxyestradiol

>  <Synonyms> (9)
2-ME2

>  <Target> (9)
HIF

>  <Form> (9)
Free Base

>  <CAS> (9)
362-07-2

>  <URL> (9)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
WYE-354.cdx
csChFnd80/01032011532D

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C24H29N7O5

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N/A

>  <Target> (10)
mTOR 

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Free Base

>  <CAS> (10)
1062169-56-5

>  <URL> (10)
http://www.selleckchem.com/products/WYE-354.html

$$$$
Budesonide.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (11)
166

>  <Formula> (11)
C25H34O6

>  <MolWeight> (11)
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>  <Cat> (11)
S1286

>  <Name> (11)
Budesonide

>  <Synonyms> (11)
N/A

>  <Target> (11)
Glucocorticoid Receptor

>  <Form> (11)
Free Base

>  <CAS> (11)
51333-22-3

>  <URL> (11)
http://www.selleckchem.com/products/Budesonide.html

$$$$
Deflazacort.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (12)
179

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C25H31NO6

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441.51674

>  <Cat> (12)
S1888

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Deflazacort (Calcort)

>  <Synonyms> (12)
Cortax, Decortil, Deflanil

>  <Target> (12)
Glucocorticoid Receptor

>  <Form> (12)
Free Base

>  <CAS> (12)
14484-47-0

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

$$$$
Nicotinamide.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (13)
188

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C6H6N2O

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S1899

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Nicotinamide (Vitamin B3)

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Niacinamide

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Sirtuin

>  <Form> (13)
Free Base

>  <CAS> (13)
98-92-0

>  <URL> (13)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/01032011532D

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   10.3569    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816    5.1330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.7733    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  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
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 25 26  1  0  0  0  0
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 24 28  1  1  0  0  0
 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (14)
193

>  <Formula> (14)
C24H25FNNaO4

>  <MolWeight> (14)
433.4477732

>  <Cat> (14)
S1909

>  <Name> (14)
Fluvastatin sodium (Lescol)

>  <Synonyms> (14)
Vastin

>  <Target> (14)
HMG-CoA Reductase

>  <Form> (14)
Sodium

>  <CAS> (14)
93957-55-2

>  <URL> (14)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/01032011532D

 30 33  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
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0580    0.7000    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  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    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
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  5  6  1  0  0  0  0
  6  1  2  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  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 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (15)
199

>  <Formula> (15)
C21H27FO6

>  <MolWeight> (15)
394.4338832

>  <Cat> (15)
S1933

>  <Name> (15)
Triamcinolone (Aristocort)

>  <Synonyms> (15)
N/A

>  <Target> (15)
Glucocorticoid Receptor

>  <Form> (15)
Free Base

>  <CAS> (15)
124-94-7

>  <URL> (15)
http://www.selleckchem.com/products/Triamcinolone(Aristocort).html

$$$$
FG-4592.cdx
csChFnd80/01032011532D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8455    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    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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    7.2704    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
  1  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  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (16)
287

>  <Formula> (16)
C19H16N2O5

>  <MolWeight> (16)
352.34074

>  <Cat> (16)
S1007

>  <Name> (16)
Roxadustat (FG-4592)

>  <Synonyms> (16)
N/A 

>  <Target> (16)
HIF

>  <Form> (16)
Free Base

>  <CAS> (16)
808118-40-3

>  <URL> (16)
http://www.selleckchem.com/products/fg-4592.html

$$$$
CELESTONE (betamethasone).cdx
csChFnd80/01032011532D

 30 33  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
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    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
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9777    6.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3118    6.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0019    4.6326    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
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
  5 19  1  1  0  0  0
 11 20  1  6  0  0  0
 10 21  1  1  0  0  0
 12 22  1  6  0  0  0
 17 23  1  1  0  0  0
 15 24  1  1  0  0  0
 13 25  1  1  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 18 30  1  6  0  0  0
M  END
>  <Mol_ID> (17)
310

>  <Formula> (17)
C22H29FO5

>  <MolWeight> (17)
392.4610632

>  <Cat> (17)
S1500

>  <Name> (17)
Betamethasone (Celestone)

>  <Synonyms> (17)
Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470 

>  <Target> (17)
Glucocorticoid Receptor

>  <Form> (17)
Free Base

>  <CAS> (17)
378-44-9

>  <URL> (17)
http://www.selleckchem.com/products/Betamethasone-(Celestone).html

$$$$
P529.cdx
csChFnd80/01032011532D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6146    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2097    6.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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1349796-36-6

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csChFnd80/01032011532D

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461432-26-8

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1009298-09-2

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>  <CAS> (22)
49843-98-3

>  <URL> (22)
http://www.selleckchem.com/products/EX-527.html

$$$$
PHT-427.cdx
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341

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C20H31N3O2S2

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S1556

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PHT-427

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N/A 

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Akt, PDK-1

>  <Form> (23)
Free Base

>  <CAS> (23)
1191951-57-1

>  <URL> (23)
http://www.selleckchem.com/products/PHT-427.html

$$$$
AT7867.cdx
csChFnd80/01032011532D

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344

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C20H20ClN3

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337.8459

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S1558

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AT7867

>  <Synonyms> (24)
N/A

>  <Target> (24)
Akt, S6 kinase

>  <Form> (24)
Free Base

>  <CAS> (24)
857531-00-1

>  <URL> (24)
http://www.selleckchem.com/products/AT7867.html

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/01032011532D

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>  <Mol_ID> (25)
369

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C8H5F3N2OS

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S1614

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Riluzole (Rilutek)

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PK-26124, RP-54274, Rilutek

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Sodium Channel

>  <Form> (25)
Free Base

>  <CAS> (25)
1744-22-5

>  <URL> (25)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

$$$$
FERNISONE (prednisone).cdx
csChFnd80/01032011532D

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>  <Mol_ID> (26)
373

>  <Formula> (26)
C21H26O5

>  <MolWeight> (26)
358.42814

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S1622

>  <Name> (26)
Prednisone (Adasone)

>  <Synonyms> (26)
Deltasone, Liquid Pred, Orasone, Adasone

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Glucocorticoid Receptor

>  <Form> (26)
Free Base

>  <CAS> (26)
19420

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

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/01032011532D

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 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
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 26 27  1  0  0  0  0
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 16 26  1  6  0  0  0
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 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (27)
378

>  <Formula> (27)
C24H31FO6

>  <MolWeight> (27)
434.4977432

>  <Cat> (27)
S1628

>  <Name> (27)
Triamcinolone Acetonide

>  <Synonyms> (27)
Azmacort

>  <Target> (27)
Glucocorticoid Receptor

>  <Form> (27)
Free Base

>  <CAS> (27)
76-25-5 

>  <URL> (27)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/01032011532D

 35 38  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
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9306    6.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2782    5.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    6.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973    5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5114    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1503   10.0337    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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  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 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 14 27  1  1  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (28)
403

>  <Formula> (28)
C24H31ClO7

>  <MolWeight> (28)
466.95174

>  <Cat> (28)
S1669

>  <Name> (28)
Loteprednol etabonate

>  <Synonyms> (28)
Alrex, Lotemax

>  <Target> (28)
Glucocorticoid Receptor

>  <Form> (28)
Free Base

>  <CAS> (28)
82034-46-6

>  <URL> (28)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

$$$$
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx
csChFnd80/01032011532D

 38 41  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
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771    6.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5636    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9112    7.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    8.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    8.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   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
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 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 30  1  0  0  0  0
 28 31  2  0  0  0  0
 17 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 10 37  1  6  0  0  0
 11 38  1  6  0  0  0
M  END
>  <Mol_ID> (29)
412

>  <Formula> (29)
C28H37FO7

>  <MolWeight> (29)
504.5875832

>  <Cat> (29)
S1688

>  <Name> (29)
Betamethasone Dipropionate (Diprolene)

>  <Synonyms> (29)
Diprospan, Diprolene, Diprosone, Diprolene AF 

>  <Target> (29)
Glucocorticoid Receptor

>  <Form> (29)
Free Base

>  <CAS> (29)
5593-20-4

>  <URL> (29)
http://www.selleckchem.com/products/Betamethasone-Dipropionate(Diprolene).html

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/01032011532D

 30 33  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
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  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
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    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
  5  6  1  0  0  0  0
  6  1  2  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  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
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 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
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 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (30)
413

>  <Formula> (30)
C22H28O5

>  <MolWeight> (30)
372.45472

>  <Cat> (30)
S1689

>  <Name> (30)
Betapar (Meprednisone)

>  <Synonyms> (30)
Betanisona

>  <Target> (30)
Glucocorticoid Receptor

>  <Form> (30)
Free Base

>  <CAS> (30)
1247-42-3

>  <URL> (30)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/01032011532D

 36 39  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
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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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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771    6.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9942    7.3125    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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  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 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 10 33  1  6  0  0  0
 11 34  1  6  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (31)
414

>  <Formula> (31)
C27H37FO6

>  <MolWeight> (31)
476.5774832

>  <Cat> (31)
S1690

>  <Name> (31)
Betamethasone valerate (Betnovate)

>  <Synonyms> (31)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (31)
Glucocorticoid Receptor

>  <Form> (31)
Free Base

>  <CAS> (31)
2152-44-5 

>  <URL> (31)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/01032011532D

 29 32  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
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  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
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    4.8509    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
  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
  9 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 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 14 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (32)
419

>  <Formula> (32)
C21H30O5

>  <MolWeight> (32)
362.4599

>  <Cat> (32)
S1696

>  <Name> (32)
Hydrocortisone (Cortisol)

>  <Synonyms> (32)
Cortisol

>  <Target> (32)
Glucocorticoid Receptor

>  <Form> (32)
Free Base

>  <CAS> (32)
50-23-7

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

$$$$
DESOWEN (desonide).cdx
csChFnd80/01032011532D

 34 38  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
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  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
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    5.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671    8.3272    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
  5  6  1  0  0  0  0
  6  1  2  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  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 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 14 26  1  1  0  0  0
 12 27  1  1  0  0  0
 16 28  1  1  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 17 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (33)
420

>  <Formula> (33)
C24H32O6

>  <MolWeight> (33)
416.50728

>  <Cat> (33)
S1701

>  <Name> (33)
Desonide

>  <Synonyms> (33)
Locapred, Topifug, Tridesilon

>  <Target> (33)
Glucocorticoid Receptor

>  <Form> (33)
Free Base

>  <CAS> (33)
638-94-8

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

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/01032011532D

 30 33  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  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
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  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    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    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
  5  6  1  0  0  0  0
  6  1  2  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  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 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 27  1  6  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (34)
438

>  <Formula> (34)
C22H30O5

>  <MolWeight> (34)
374.4706

>  <Cat> (34)
S1733

>  <Name> (34)
Methylprednisolone

>  <Synonyms> (34)
Medrol, Solu-Medrol, Medrone

>  <Target> (34)
Glucocorticoid Receptor

>  <Form> (34)
Free Base

>  <CAS> (34)
83-43-2

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

$$$$
Pitavastatin calcium.cdx
csChFnd80/01032011532D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    8.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   13.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   16.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (35)
448

>  <Formula> (35)
C50H46CaF2N2O8

>  <MolWeight> (35)
880.9836464

>  <Cat> (35)
S1759

>  <Name> (35)
Pitavastatin calcium (Livalo)

>  <Synonyms> (35)
Livalo

>  <Target> (35)
HMG-CoA Reductase

>  <Form> (35)
Calcium salt

>  <CAS> (35)
147526-32-7

>  <URL> (35)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/01032011532D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (36)
463

>  <Formula> (36)
C25H38O5

>  <MolWeight> (36)
418.56622

>  <Cat> (36)
S1792

>  <Name> (36)
Simvastatin (Zocor)

>  <Synonyms> (36)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (36)
HMG-CoA Reductase

>  <Form> (36)
Free Base

>  <CAS> (36)
79902-63-9

>  <URL> (36)
http://www.selleckchem.com/products/Simvastatin(Zocor).html

$$$$
CTEP.cdx
csChFnd80/01032011532D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.2656    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (37)
473

>  <Formula> (37)
C19H13ClF3N3O

>  <MolWeight> (37)
391.7742296

>  <Cat> (37)
S2861

>  <Name> (37)
CTEP (RO4956371)

>  <Synonyms> (37)
N/A

>  <Target> (37)
GluR

>  <Form> (37)
Free Base

>  <CAS> (37)
871362-31-1

>  <URL> (37)
http://www.selleckchem.com/products/ctep.html

$$$$
Quercetin.cdx
csChFnd80/01032011532D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (38)
532

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C15H10O7

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>  <Name> (38)
Quercetin (Sophoretin)

>  <Synonyms> (38)
Meletin, Quercetine

>  <Target> (38)
PI3K, PKC, Src, Sirtuin

>  <Form> (38)
Free Base

>  <CAS> (38)
117-39-5

>  <URL> (38)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
PP442.cdx
csChFnd80/01032011532D

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594

>  <Formula> (39)
C16H16N6O

>  <MolWeight> (39)
308.33784

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S2218

>  <Name> (39)
Torkinib (PP242)

>  <Synonyms> (39)
TORKinib 

>  <Target> (39)
mTOR

>  <Form> (39)
Free Base

>  <CAS> (39)
1092351-67-1

>  <URL> (39)
http://www.selleckchem.com/products/PP242.html

$$$$
MPEP.cdx
csChFnd80/01032011532D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (40)
609

>  <Formula> (40)
C14H11N

>  <MolWeight> (40)
193.24384

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S2809

>  <Name> (40)
MPEP

>  <Synonyms> (40)
N/A 

>  <Target> (40)
GluR

>  <Form> (40)
Free Base

>  <CAS> (40)
96206-92-7

>  <URL> (40)
http://www.selleckchem.com/products/mpep.html

$$$$
Fisetin.cdx
csChFnd80/01032011532D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (41)
630

>  <Formula> (41)
C15H10O6

>  <MolWeight> (41)
286.2363

>  <Cat> (41)
S2298

>  <Name> (41)
Fisetin (Fustel)

>  <Synonyms> (41)
Fustel, Viset

>  <Target> (41)
Sirtuin

>  <Form> (41)
Free Base

>  <CAS> (41)
528-48-3

>  <URL> (41)
http://www.selleckchem.com/products/Fisetin(Fustel).html

$$$$
Honokiol.cdx
csChFnd80/01032011532D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (42)
640

>  <Formula> (42)
C18H18O2

>  <MolWeight> (42)
266.33432

>  <Cat> (42)
S2310

>  <Name> (42)
Honokiol

>  <Synonyms> (42)
N/A

>  <Target> (42)
Akt, MEK

>  <Form> (42)
Free Base

>  <CAS> (42)
35354-74-6

>  <URL> (42)
http://www.selleckchem.com/products/Honokiol.html

$$$$
Parthenolide.cdx
csChFnd80/01032011532D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (43)
664

>  <Formula> (43)
C15H20O3

>  <MolWeight> (43)
248.3175

>  <Cat> (43)
S2341

>  <Name> (43)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (43)
N/A 

>  <Target> (43)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (43)
Free Base

>  <CAS> (43)
20554-84-1

>  <URL> (43)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

$$$$
Phloretin.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (44)
665

>  <Formula> (44)
C15H14O5

>  <MolWeight> (44)
274.26866

>  <Cat> (44)
S2342

>  <Name> (44)
Phloretin

>  <Synonyms> (44)
Dihydronaringenin

>  <Target> (44)
SGLT

>  <Form> (44)
Free Base

>  <CAS> (44)
60-82-2

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

$$$$
Phlorizin.cdx
csChFnd80/01032011532D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
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 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (45)
666

>  <Formula> (45)
C21H24O10

>  <MolWeight> (45)
436.40926

>  <Cat> (45)
S2343

>  <Name> (45)
Phlorizin (Phloridzin)

>  <Synonyms> (45)
Phlorhizin, Phlorizoside 

>  <Target> (45)
SGLT

>  <Form> (45)
Free Base

>  <CAS> (45)
60-81-1

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

$$$$
Chrysophanic acid.cdx
csChFnd80/01032011532D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (46)
678

>  <Formula> (46)
C15H10O4

>  <MolWeight> (46)
254.2375

>  <Cat> (46)
S2406

>  <Name> (46)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (46)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (46)
EGFR, mTOR

>  <Form> (46)
Free Base

>  <CAS> (46)
481-74-3

>  <URL> (46)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/01032011532D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (47)
719

>  <Formula> (47)
C25H17F2N5O3S

>  <MolWeight> (47)
505.4959864

>  <Cat> (47)
S2658

>  <Name> (47)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (47)
N/A 

>  <Target> (47)
PI3K, mTOR

>  <Form> (47)
Free Base

>  <CAS> (47)
1086062-66-9 

>  <URL> (47)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/01032011532D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (48)
759

>  <Formula> (48)
C10H16ClN5

>  <MolWeight> (48)
241.72054

>  <Cat> (48)
S2542

>  <Name> (48)
Phenformin hydrochloride 

>  <Synonyms> (48)
N/A

>  <Target> (48)
AMPK

>  <Form> (48)
Hydrochloride 

>  <CAS> (48)
834-28-6

>  <URL> (48)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
OSI-027.cdx
csChFnd80/01032011532D

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 12  7  1  1  0  0  0
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>  <Mol_ID> (49)
764

>  <Formula> (49)
C21H22N6O3

>  <MolWeight> (49)
406.43778

>  <Cat> (49)
S2624

>  <Name> (49)
OSI-027

>  <Synonyms> (49)
N/A 

>  <Target> (49)
mTOR

>  <Form> (49)
Free Base

>  <CAS> (49)
936890-98-1

>  <URL> (49)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (50)
765

>  <Formula> (50)
C17H17N7

>  <MolWeight> (50)
319.36378

>  <Cat> (50)
S2622

>  <Name> (50)
PP-121

>  <Synonyms> (50)
N/A

>  <Target> (50)
DNA-PK, mTOR, PDGF

>  <Form> (50)
Free Base

>  <CAS> (50)
1092788-83-4

>  <URL> (50)
http://www.selleckchem.com/products/PP121.html

$$$$
Cortisone acetate.cdx
csChFnd80/01032011532D

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 10  5  1  0  0  0  0
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>  <Mol_ID> (51)
772

>  <Formula> (51)
C23H30O6

>  <MolWeight> (51)
402.4807

>  <Cat> (51)
S2559

>  <Name> (51)
Cortisone acetate (Cortone)

>  <Synonyms> (51)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (51)
Glucocorticoid Receptor

>  <Form> (51)
Free Base

>  <CAS> (51)
18357

>  <URL> (51)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

$$$$
CCT128930.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (52)
782

>  <Formula> (52)
C18H20ClN5

>  <MolWeight> (52)
341.8379

>  <Cat> (52)
S2635

>  <Name> (52)
CCT128930

>  <Synonyms> (52)
N/A 

>  <Target> (52)
Akt

>  <Form> (52)
Free Base

>  <CAS> (52)
885499-61-6

>  <URL> (52)
http://www.selleckchem.com/products/cct128930.html

$$$$
A-674563.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (53)
788

>  <Formula> (53)
C22H22N4O

>  <MolWeight> (53)
358.43628

>  <Cat> (53)
S2670

>  <Name> (53)
A-674563

>  <Synonyms> (53)
N/A

>  <Target> (53)
Akt, CDK, PKA

>  <Form> (53)
Free Base

>  <CAS> (53)
552325-73-2

>  <URL> (53)
http://www.selleckchem.com/products/a-674563.html

$$$$
WAY-600.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (57)
813

>  <Formula> (57)
C26H32F2O7

>  <MolWeight> (57)
494.5248864

>  <Cat> (57)
S2608

>  <Name> (57)
Fluocinonide (Vanos)

>  <Synonyms> (57)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (57)
Glucocorticoid Receptor

>  <Form> (57)
Free Base

>  <CAS> (57)
356-12-7

>  <URL> (57)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

$$$$
Prednisolone acetate.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (58)
818

>  <Formula> (58)
C23H30O6

>  <MolWeight> (58)
402.4807

>  <Cat> (58)
S2570

>  <Name> (58)
Prednisolone acetate (Omnipred)

>  <Synonyms> (58)
Omnipred

>  <Target> (58)
Glucocorticoid Receptor

>  <Form> (58)
Free Base

>  <CAS> (58)
52-21-1

>  <URL> (58)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

$$$$
Clinofbrate.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (59)
820

>  <Formula> (59)
C28H36O6

>  <MolWeight> (59)
468.58184

>  <Cat> (59)
S2664

>  <Name> (59)
Clinofibrate

>  <Synonyms> (59)
Lipoclin

>  <Target> (59)
RAAS

>  <Form> (59)
Free Base

>  <CAS> (59)
30299-08-2

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

$$$$
A769662.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (60)
831

>  <Formula> (60)
C20H12N2O3S

>  <MolWeight> (60)
360.38588

>  <Cat> (60)
S2697

>  <Name> (60)
A-769662

>  <Synonyms> (60)
N/A

>  <Target> (60)
AMPK

>  <Form> (60)
Free Base

>  <CAS> (60)
844499-71-4

>  <URL> (60)
http://www.selleckchem.com/products/a-769662.html

$$$$
GDC 0980.cdx
csChFnd80/01032011532D

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>  <Synonyms> (61)
N/A 

>  <Target> (61)
mTOR, PI3K

>  <Form> (61)
Free Base

>  <CAS> (61)
1032754-93-0

>  <URL> (61)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
INK 128.cdx
csChFnd80/01032011532D

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856

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C15H15N7O

>  <MolWeight> (62)
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INK 128 (MLN0128)

>  <Synonyms> (62)
N/A 

>  <Target> (62)
mTOR 

>  <Form> (62)
Free Base

>  <CAS> (62)
1224844-38-5

>  <URL> (62)
http://www.selleckchem.com/products/ink128.html

$$$$
PF-04691502.cdx
csChFnd80/01032011532D

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C22H27N5O4

>  <MolWeight> (63)
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PF-04691502

>  <Synonyms> (63)
N/A

>  <Target> (63)
mTOR, PI3K, Akt

>  <Form> (63)
Free Base

>  <CAS> (63)
1013101-36-4 

>  <URL> (63)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Fluticasone propionate.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (64)
873

>  <Formula> (64)
C25H31F3O5S

>  <MolWeight> (64)
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>  <Cat> (64)
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>  <Name> (64)
Fluticasone propionate (Flonase, Veramyst)

>  <Synonyms> (64)
N/A 

>  <Target> (64)
Glucocorticoid Receptor

>  <Form> (64)
Free Base

>  <CAS> (64)
80474-14-2

>  <URL> (64)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

$$$$
Mometasone furoate.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (65)
878

>  <Formula> (65)
C27H30Cl2O6

>  <MolWeight> (65)
521.4295

>  <Cat> (65)
S1987

>  <Name> (65)
Mometasone furoate

>  <Synonyms> (65)
N/A

>  <Target> (65)
Glucocorticoid Receptor

>  <Form> (65)
Furoate

>  <CAS> (65)
83919-23-7

>  <URL> (65)
http://www.selleckchem.com/products/mometasone-furoate.html

$$$$
Clobetasol propionate.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (66)
898

>  <Formula> (66)
C25H32ClFO5

>  <MolWeight> (66)
466.9699832

>  <Cat> (66)
S2584

>  <Name> (66)
Clobetasol propionate

>  <Synonyms> (66)
N/A

>  <Target> (66)
Glucocorticoid Receptor

>  <Form> (66)
Free Base

>  <CAS> (66)
25122-46-7

>  <URL> (66)
http://www.selleckchem.com/products/clobetasol-propionate.html

$$$$
NVP-BGT226.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (67)
950

>  <Formula> (67)
C32H29F3N6O6

>  <MolWeight> (67)
650.6044696

>  <Cat> (67)
S2749

>  <Name> (67)
NVP-BGT226

>  <Synonyms> (67)
N/A 

>  <Target> (67)
PI3K, mTOR

>  <Form> (67)
Maleate

>  <CAS> (67)
1245537-68-1

>  <URL> (67)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
Canagliflozin.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (68)
967

>  <Formula> (68)
C24H25FO5S

>  <MolWeight> (68)
444.5157032

>  <Cat> (68)
S2760

>  <Name> (68)
Canagliflozin

>  <Synonyms> (68)
N/A

>  <Target> (68)
SGLT 

>  <Form> (68)
Free Base

>  <CAS> (68)
842133-18-0

>  <URL> (68)
http://www.selleckchem.com/products/canagliflozin.html

$$$$
RITA (NSC 652287).cdx
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M  END
>  <Mol_ID> (73)
1008

>  <Formula> (73)
C24H32ClN5O2

>  <MolWeight> (73)
457.99618

>  <Cat> (73)
S2808

>  <Name> (73)
Ipatasertib (GDC-0068)

>  <Synonyms> (73)
N/A 

>  <Target> (73)
Akt 

>  <Form> (73)
Free Base

>  <CAS> (73)
1001264-89-6

>  <URL> (73)
http://www.selleckchem.com/products/gdc-0068.html

$$$$
Torin 2.cdx
csChFnd80/01032011532D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
1012

>  <Formula> (74)
C24H15F3N4O

>  <MolWeight> (74)
432.3973096

>  <Cat> (74)
S2817

>  <Name> (74)
Torin 2

>  <Synonyms> (74)
N/A 

>  <Target> (74)
mTOR

>  <Form> (74)
Free Base

>  <CAS> (74)
1223001-51-1

>  <URL> (74)
http://www.selleckchem.com/products/torin-2.html

$$$$
Pravastatin sodium.cdx
csChFnd80/01032011532D

 32 32  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> (75)
1017

>  <Formula> (75)
C23H35NaO7

>  <MolWeight> (75)
446.50957

>  <Cat> (75)
S3036

>  <Name> (75)
Pravastatin sodium

>  <Synonyms> (75)
Selektine 

>  <Target> (75)
HMG-CoA Reductase

>  <Form> (75)
Free Base

>  <CAS> (75)
81131-70-6

>  <URL> (75)
http://www.selleckchem.com/products/pravastatin-pravachol.html

$$$$
ADX47273.cdx
csChFnd80/01032011532D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
1034

>  <Formula> (76)
C20H17F2N3O2

>  <MolWeight> (76)
369.3646864

>  <Cat> (76)
S2690

>  <Name> (76)
ADX-47273

>  <Synonyms> (76)
N/A 

>  <Target> (76)
GluR

>  <Form> (76)
Free Base

>  <CAS> (76)
851881-60-2

>  <URL> (76)
http://www.selleckchem.com/products/adx-47273.html

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/01032011532D

 38 41  0  0  0  0  0  0  0  0999 V2000
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Beclomethasone dipropionate 

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Beclometasone dipropionate

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Glucocorticoid Receptor

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Free Base

>  <CAS> (77)
1327543

>  <URL> (77)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

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Pircetam.cdx
csChFnd80/01032011532D

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C6H10N2O2

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Piracetam

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N/A

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GluR

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Free Base

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7491-74-9

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

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Apocynin (acetovanillone).cdx
csChFnd80/01032011532D

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Apocynin (Acetovanillone)

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NADPH oxidase

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Free Base

>  <CAS> (79)
498-02-2

>  <URL> (79)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

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VU 0364770.cdx
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>  <Mol_ID> (80)
1118

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C12H9ClN2O

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VU 0364770

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N/A

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GluR

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Free Base

>  <CAS> (80)
61350-00-3

>  <URL> (80)
http://www.selleckchem.com/products/vu-0364770.html

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (81)
1120

>  <Formula> (81)
C16H32Br2N2

>  <MolWeight> (81)
412.24668

>  <Cat> (81)
S2860

>  <Name> (81)
IEM 1754 dihydrobroMide

>  <Synonyms> (81)
N/A

>  <Target> (81)
5-HT Receptor

>  <Form> (81)
DihydrobroMide

>  <CAS> (81)
162831-31-4

>  <URL> (81)
http://www.selleckchem.com/products/iem-1754-dihydrobromide.html

$$$$
VU 0361737.cdx
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>  <Mol_ID> (82)
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C13H11ClN2O2

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>  <Target> (82)
GluR

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1161205-04-4

>  <URL> (82)
http://www.selleckchem.com/products/vu-0361737.html

$$$$
IOX2.cdx
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HIF

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931398-72-0

>  <URL> (83)
http://www.selleckchem.com/products/iox2.html

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/01032011532D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4702    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    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  2  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  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
  2 11  1  6  0  0  0
  6 12  1  6  0  0  0
  5 13  1  1  0  0  0
 10 14  1  1  0  0  0
  9 15  1  1  0  0  0
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 12 18  1  0  0  0  0
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 26 29  1  1  0  0  0
 20 30  1  1  0  0  0
 17 16  1  6  0  0  0
M  END
>  <Mol_ID> (84)
1196

>  <Formula> (84)
C24H36O5

>  <MolWeight> (84)
404.53964

>  <Cat> (84)
S2061

>  <Name> (84)
Lovastatin (Mevacor)

>  <Synonyms> (84)
N/A

>  <Target> (84)
HMG-CoA Reductase

>  <Form> (84)
Free Base

>  <CAS> (84)
75330-75-5

>  <URL> (84)
http://www.selleckchem.com/products/lovastatin-mevacor.html

$$$$
Atorvastatin calcium.cdx
csChFnd80/01032011532D

 83 88  0  0  0  0  0  0  0  0999 V2000
   19.4186    4.8013    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   18.7029    6.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7909    7.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5719    9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6598    9.9061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4408   11.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5288   12.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.3098   13.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3978   14.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1788   15.8163    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   23.7048   13.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8358   11.6681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9668    9.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3506    7.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5881    5.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4692    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7762    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8489    8.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4662    8.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7299    9.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1901    5.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4901    7.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4901    4.6638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3901    5.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9902    5.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2902    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9902    3.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3901    3.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1068    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9503    4.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7546    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3922    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3822    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7344    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0968    2.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8770    3.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0511    2.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8632    6.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8495    3.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4495    3.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2672    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    4.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5425    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    2.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5321    4.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    2.3133    0.0000 F   0  0  0  0  0  0  0  0  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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M  END
>  <Mol_ID> (85)
1204

>  <Formula> (85)
C66H68CaF2N4O10

>  <MolWeight> (85)
1155.3417264

>  <Cat> (85)
S2077

>  <Name> (85)
Atorvastatin calcium (Lipitor)

>  <Synonyms> (85)
N/A

>  <Target> (85)
HMG-CoA Reductase

>  <Form> (85)
Calcium 

>  <CAS> (85)
134523-03-8

>  <URL> (85)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/01032011532D

 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
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M  END
>  <Mol_ID> (86)
1223

>  <Formula> (86)
C24H30F2O6

>  <MolWeight> (86)
452.4882064

>  <Cat> (86)
S2470

>  <Name> (86)
Fluocinolone acetonide (Flucort-N)

>  <Synonyms> (86)
Flucort-N

>  <Target> (86)
Glucocorticoid Receptor

>  <Form> (86)
Free Base

>  <CAS> (86)
67-73-2

>  <URL> (86)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

$$$$
Pifithrin-¦Á.cdx
csChFnd80/01032011532D

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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (87)
1246

>  <Formula> (87)
C16H19BrN2OS

>  <MolWeight> (87)
367.30386

>  <Cat> (87)
S2929

>  <Name> (87)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (87)
N/A

>  <Target> (87)
p53

>  <Form> (87)
HBr

>  <CAS> (87)
63208-82-2

>  <URL> (87)
http://www.selleckchem.com/products/pifithrin-alpha.html

$$$$
aicar.cdx
csChFnd80/01032011532D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 14  7  1  0  0  0  0
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M  END
>  <Mol_ID> (88)
1257

>  <Formula> (88)
C9H14N4O5

>  <MolWeight> (88)
258.23126

>  <Cat> (88)
S1802

>  <Name> (88)
AICAR (Acadesine)

>  <Synonyms> (88)
AICAR, AICA-riboside

>  <Target> (88)
AMPK

>  <Form> (88)
Free Base

>  <CAS> (88)
2627-69-2

>  <URL> (88)
http://www.selleckchem.com/products/Acadesine.html

$$$$
flumethasone.cdx
csChFnd80/01032011532D

 31 34  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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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (89)
1408

>  <Formula> (89)
C22H28F2O5

>  <MolWeight> (89)
410.4515264

>  <Cat> (89)
S4088

>  <Name> (89)
Flumethasone

>  <Synonyms> (89)
N/A

>  <Target> (89)
Glucocorticoid Receptor

>  <Form> (89)
Free Base

>  <CAS> (89)
2135-17-3

>  <URL> (89)
http://www.selleckchem.com/products/flumethasone.html

$$$$
Fluorometholone Acetate.cdx
csChFnd80/01032011532D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (90)
1434

>  <Formula> (90)
C24H31FO5

>  <MolWeight> (90)
418.4983432

>  <Cat> (90)
S4228

>  <Name> (90)
Fluorometholone Acetate

>  <Synonyms> (90)
N/A

>  <Target> (90)
Glucocorticoid Receptor

>  <Form> (90)
Free Base

>  <CAS> (90)
694485

>  <URL> (90)
http://www.selleckchem.com/products/fluorometholone-acetate.html

$$$$
mevastatin.cdx
csChFnd80/01032011532D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
1437

>  <Formula> (91)
C23H34O5

>  <MolWeight> (91)
390.51306

>  <Cat> (91)
S4223

>  <Name> (91)
Mevastatin

>  <Synonyms> (91)
N/A

>  <Target> (91)
HMG-CoA Reductase

>  <Form> (91)
Free Base

>  <CAS> (91)
73573-88-3

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

$$$$
Latrepirdine.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (92)
1457

>  <Formula> (92)
C21H27Cl2N3

>  <MolWeight> (92)
392.36518

>  <Cat> (92)
S1245

>  <Name> (92)
Latrepirdine 2HCl

>  <Synonyms> (92)
Dimebolin

>  <Target> (92)
GluR

>  <Form> (92)
Dihydrochloride

>  <CAS> (92)
97657-92-6

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

$$$$
untitled.cdx
csChFnd80/01032011532D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (93)
1464

>  <Formula> (93)
C13H16N6O4

>  <MolWeight> (93)
320.30394

>  <Cat> (93)
S1117

>  <Name> (93)
Triciribine

>  <Synonyms> (93)
N/A

>  <Target> (93)
Akt

>  <Form> (93)
Free Base

>  <CAS> (93)
35943-35-2

>  <URL> (93)
http://www.selleckchem.com/products/Triciribine.html

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (94)
1466

>  <Formula> (94)
C8H7NO2S

>  <MolWeight> (94)
181.21168

>  <Cat> (94)
S2930

>  <Name> (94)
Pifithrin-¦Ì

>  <Synonyms> (94)
NSC 303580, PFT¦Ì

>  <Target> (94)
p53

>  <Form> (94)
Free Base

>  <CAS> (94)
64984-31-2

>  <URL> (94)
http://www.selleckchem.com/products/pifithrin-u.html

$$$$
METI-DERM (prednisolone).cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (95)
1475

>  <Formula> (95)
C21H28O5

>  <MolWeight> (95)
360.44402

>  <Cat> (95)
S1737

>  <Name> (95)
Prednisolone

>  <Synonyms> (95)
Decaprednil, Predonine

>  <Target> (95)
Glucocorticoid Receptor

>  <Form> (95)
Free Base

>  <CAS> (95)
50-24-8

>  <URL> (95)
http://www.selleckchem.com/products/Prednisolone(Hydroretrocortine).html

$$$$
Tenovin-6 HCl.cdx
csChFnd80/01032011532D

 33 33  0  0  0  0  0  0  0  0999 V2000
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   21.8407    7.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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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M  END
>  <Mol_ID> (96)
1500

>  <Formula> (96)
C25H35ClN4O2S

>  <MolWeight> (96)
491.089

>  <Cat> (96)
S4900

>  <Name> (96)
Tenovin-6

>  <Synonyms> (96)
N/A

>  <Target> (96)
p53,Sirtuin

>  <Form> (96)
Free Base

>  <CAS> (96)
1011557-82-6

>  <URL> (96)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (97)
1535

>  <Formula> (97)
C44H69NO12

>  <MolWeight> (97)
804.01816

>  <Cat> (97)
S5003

>  <Name> (97)
Tacrolimus (FK506)

>  <Synonyms> (97)
FR900506

>  <Target> (97)
mTOR

>  <Form> (97)
Free Base

>  <CAS> (97)
104987-11-3

>  <URL> (97)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Rosuvastatin calcium.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (98)
1536

>  <Formula> (98)
C44H54CaF2N6O12S2

>  <MolWeight> (98)
1001.1373664

>  <Cat> (98)
S2169

>  <Name> (98)
Rosuvastatin Calcium

>  <Synonyms> (98)
ZD4522

>  <Target> (98)
HMG-CoA Reductase

>  <Form> (98)
Calcium salt

>  <CAS> (98)
147098-20-2

>  <URL> (98)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

$$$$
Temsirolimus.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (99)
1538

>  <Formula> (99)
C56H87NO16

>  <MolWeight> (99)
1030.28708

>  <Cat> (99)
S1044

>  <Name> (99)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (99)
N/A

>  <Target> (99)
mTOR

>  <Form> (99)
Free Base

>  <CAS> (99)
162635-04-3

>  <URL> (99)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
Acetylleucine.cdx
csChFnd80/01032011532D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (100)
1588

>  <Formula> (100)
C8H15NO3

>  <MolWeight> (100)
173.2096

>  <Cat> (100)
S4514

>  <Name> (100)
Acetylleucine

>  <Synonyms> (100)
N-acetyl-L-leucine

>  <Target> (100)
Others

>  <Form> (100)
Free Base

>  <CAS> (100)
99-15-0

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

$$$$
Aceglutamide.cdx
csChFnd80/01032011532D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
1589

>  <Formula> (101)
C7H12N2O4

>  <MolWeight> (101)
188.18118

>  <Cat> (101)
S4512

>  <Name> (101)
Aceglutamide

>  <Synonyms> (101)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (101)
Others

>  <Form> (101)
Free Base

>  <CAS> (101)
2490-97-3

>  <URL> (101)
http://www.selleckchem.com/products/aceglutamide.html

$$$$
S4716 Evans Blue.cdx
csChFnd80/01032011532D

 62 67  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (102)
1702

>  <Formula> (102)
C34H24N6Na4O14S4

>  <MolWeight> (102)
960.80524

>  <Cat> (102)
S4716

>  <Name> (102)
Evans Blue

>  <Synonyms> (102)
Direct Blue 53

>  <Target> (102)
GluR

>  <Form> (102)
sodium salt

>  <CAS> (102)
314-13-6

>  <URL> (102)
http://www.selleckchem.com/products/evans-blue.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (103)
1723

>  <Formula> (103)
C36H30O16

>  <MolWeight> (103)
718.6138

>  <Cat> (103)
S4735

>  <Name> (103)
Salvianolic acid B

>  <Synonyms> (103)
Lithospermate B

>  <Target> (103)
Others

>  <Form> (103)
Free Base

>  <CAS> (103)
121521-90-2

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

$$$$
S4752 Corticosterone.cdx
csChFnd80/01032011532D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
1738

>  <Formula> (104)
C21H30O4

>  <MolWeight> (104)
346.4605

>  <Cat> (104)
S4752

>  <Name> (104)
Corticosterone

>  <Synonyms> (104)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (104)
Glucocorticoid Receptor

>  <Form> (104)
Free Base

>  <CAS> (104)
50-22-6

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

$$$$
S3617 (20S)-Protopanaxatriol.cdx
csChFnd80/01032011532D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3247    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060    3.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6060    6.0326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.4622   11.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8340   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4713    8.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3702    6.9314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 H   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
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  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 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  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
 20 22  1  0  0  0  0
 16 23  1  0  0  0  0
 24 15  1  6  0  0  0
 11 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
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 28  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  1  1  0  0  0
  1 30  1  1  0  0  0
  8 31  1  6  0  0  0
 25 32  1  1  0  0  0
 16 33  1  6  0  0  0
 27 34  1  6  0  0  0
 10 35  1  1  0  0  0
 24 36  1  1  0  0  0
M  END
>  <Mol_ID> (105)
1765

>  <Formula> (105)
C30H52O4

>  <MolWeight> (105)
476.73148

>  <Cat> (105)
S3617

>  <Name> (105)
(20S)-Protopanaxatriol

>  <Synonyms> (105)
g-PPT, 20(S)-APPT

>  <Target> (105)
GR,ER

>  <Form> (105)
free base

>  <CAS> (105)
34080-08-5

>  <URL> (105)
http://www.selleckchem.com/products/20s-protopanaxatriol.html

$$$$
S4774 Xanthurenic Acid.cdx
csChFnd80/01032011532D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4446    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316    3.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    1.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    4.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    3.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    5.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    0.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (106)
2066

>  <Formula> (106)
C10H7NO4

>  <MolWeight> (106)
205.16688

>  <Cat> (106)
S4774

>  <Name> (106)
Xanthurenic Acid

>  <Synonyms> (106)
xanthurenate; 8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid

>  <Target> (106)
mGlu2,mGlu3

>  <Form> (106)
free base

>  <CAS> (106)
59-00-7

>  <URL> (106)
http://www.selleckchem.com/products/xanthurenic-acid.html

$$$$
S4775 Cortodoxone.cdx
csChFnd80/01032011532D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3181    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1062    2.1177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3181    4.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6509    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1201    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6509    4.6391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0784    4.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495    3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    2.1177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.0347    4.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4610    2.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    3.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873    6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3181    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181    5.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
  5 25  1  6  0  0  0
  2 26  1  1  0  0  0
  1 27  1  6  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (107)
2067

>  <Formula> (107)
C21H30O4

>  <MolWeight> (107)
346.4605

>  <Cat> (107)
S4775

>  <Name> (107)
Cortodoxone

>  <Synonyms> (107)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (107)
Glucocorticoid Receptor

>  <Form> (107)
free base

>  <CAS> (107)
152-58-9

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

$$$$
untitled.cdx
csChFnd80/01032011532D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.8990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8114    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3865    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2990    5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.9990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  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 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  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 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 11 12  1  0  0  0  0
  8 11  1  0  0  0  0
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (108)
2250

>  <Formula> (108)
C21H46NO4P

>  <MolWeight> (108)
407.568001

>  <Cat> (108)
S3056

>  <Name> (108)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (108)
N/A

>  <Target> (108)
Akt

>  <Form> (108)
Free Base

>  <CAS> (108)
58066-85-6

>  <URL> (108)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
Tenovin-1.cdx
csChFnd80/01032011532D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9952    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7828    4.2098    0.0000 O   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
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  8 23  2  0  0  0  0
 19 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 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
M  END
>  <Mol_ID> (113)
2338

>  <Formula> (113)
C25H52NO4P

>  <MolWeight> (113)
461.658441

>  <Cat> (113)
S1037

>  <Name> (113)
Perifosine (KRX-0401)

>  <Synonyms> (113)
NSC639966

>  <Target> (113)
Akt

>  <Form> (113)
Free Base

>  <CAS> (113)
157716-52-4

>  <URL> (113)
http://www.selleckchem.com/products/Perifosine.html

$$$$
D-glutamine.cdx
csChFnd80/01032011532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 N   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  2  0  0  0  0
  6  8  1  0  0  0  0
  2  9  2  0  0  0  0
  5 10  1  6  0  0  0
M  END
>  <Mol_ID> (114)
2341

>  <Formula> (114)
C5H10N2O3

>  <MolWeight> (114)
146.1445

>  <Cat> (114)
S1893

>  <Name> (114)
D-glutamine

>  <Synonyms> (114)
N/A

>  <Target> (114)
GluR

>  <Form> (114)
Free Base

>  <CAS> (114)
5959-95-5

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

$$$$
bms-707035.cdx
csChFnd80/01032011532D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.5700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    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  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
 10 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 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
 17 18  2  0  0  0  0
 18 19  1  0  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 18  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (115)
2350

>  <Formula> (115)
C18H11N3O2S

>  <MolWeight> (115)
333.36384

>  <Cat> (115)
S1360

>  <Name> (115)
GSK1059615

>  <Synonyms> (115)
N/A

>  <Target> (115)
PI3K, mTOR

>  <Form> (115)
Free Base

>  <CAS> (115)
958852-01-2

>  <URL> (115)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/01032011532D

 32 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    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
    3.6331    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5927    0.0000 C   0  0  2  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
    4.8455    5.5927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9927    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
    7.2662    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    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
    9.6911    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4345    7.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693    7.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    9.5749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    2.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9704    2.9803    0.0000 H   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
  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
  9 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 10  1  0  0  0  0
 11 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
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
 12 20  1  1  0  0  0
 14 21  1  6  0  0  0
 10 21  1  6  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 29  1  1  0  0  0
 28 30  2  0  0  0  0
  9 31  1  1  0  0  0
 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (116)
2374

>  <Formula> (116)
C24H30O6

>  <MolWeight> (116)
414.4914

>  <Cat> (116)
S1707

>  <Name> (116)
Eplerenone

>  <Synonyms> (116)
Inspra

>  <Target> (116)
Glucocorticoid Receptor

>  <Form> (116)
Free Base

>  <CAS> (116)
107724-20-9

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

$$$$
(-)-Huperzine A.cdx
csChFnd80/01032011532D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    4.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014    4.9854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6513    2.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    6.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    7.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    6.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    5.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637    2.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    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
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 10  5  1  0  0  0  0
  3 13  1  6  0  0  0
  5 14  1  1  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (117)
2388

>  <Formula> (117)
C15H18N2O

>  <MolWeight> (117)
242.31622

>  <Cat> (117)
S2251

>  <Name> (117)
(-)-Huperzine A (HupA)

>  <Synonyms> (117)
N/A

>  <Target> (117)
AChR & GluR

>  <Form> (117)
Free Base

>  <CAS> (117)
102518-79-6

>  <URL> (117)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

$$$$
ly404039.cdx
csChFnd80/01032011532D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.3124    3.5473    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3124    2.1473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6439    1.7146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4668    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    3.9799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2816    5.3322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6339    4.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    0.3146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9862    2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    0.7473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4000    4.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101    1.8573    0.0000 H   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  1  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  6  0  0  0
  3  9  1  1  0  0  0
  2 12  1  1  0  0  0
  1 13  1  1  0  0  0
  1 14  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  1  1  0  0  0
 14 18  1  6  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (118)
2396

>  <Formula> (118)
C7H9NO6S

>  <MolWeight> (118)
235.21446

>  <Cat> (118)
S6001

>  <Name> (118)
LY2140023 (LY404039)

>  <Synonyms> (118)
N/A 

>  <Target> (118)
GluR

>  <Form> (118)
Free Base

>  <CAS> (118)
635318-11-5

>  <URL> (118)
http://www.selleckchem.com/products/LY2140023(LY404039).html

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/01032011532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 N   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
  2  8  2  0  0  0  0
  6  9  2  0  0  0  0
  5 10  1  1  0  0  0
M  END
>  <Mol_ID> (119)
2400

>  <Formula> (119)
C5H10N2O3

>  <MolWeight> (119)
146.1445

>  <Cat> (119)
S1749

>  <Name> (119)
L-Glutamine

>  <Synonyms> (119)
N/A

>  <Target> (119)
Others

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56-85-9

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

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Free Base

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1197160-78-3

>  <URL> (120)
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mTOR

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Free Base

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1222998-36-8

>  <URL> (121)
http://www.selleckchem.com/products/torin-1.html

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403811-55-2

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GlyT

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Free Base

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14028-44-5

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

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p53

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71555-25-4

>  <URL> (125)
http://www.selleckchem.com/products/nsc319726.html

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TIC10 analogue

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TRAIL-inducing Compound 10

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Akt

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Free Base

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41276-02-2

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http://www.selleckchem.com/products/tic10.html

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M  END
>  <Mol_ID> (128)
2542

>  <Formula> (128)
C23H22FN3O4S

>  <MolWeight> (128)
455.5018832

>  <Cat> (128)
S7035

>  <Name> (128)
XL388

>  <Synonyms> (128)
N/A

>  <Target> (128)
mTOR

>  <Form> (128)
Free Base

>  <CAS> (128)
1251156-08-7

>  <URL> (128)
http://www.selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/01032011532D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (129)
2544

>  <Formula> (129)
C24H27Cl2N5O

>  <MolWeight> (129)
472.41008

>  <Cat> (129)
S7306

>  <Name> (129)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (129)
BML-275,Compound C

>  <Target> (129)
AMPK

>  <Form> (129)
Dihydrochloride

>  <CAS> (129)
1219168-18-9

>  <URL> (129)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
WZ4003.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (130)
2629

>  <Formula> (130)
C25H29ClN6O3

>  <MolWeight> (130)
496.98916

>  <Cat> (130)
S7317

>  <Name> (130)
WZ4003

>  <Synonyms> (130)
N/A

>  <Target> (130)
AMPK

>  <Form> (130)
Free Base

>  <CAS> (130)
1214265-58-3

>  <URL> (130)
http://www.selleckchem.com/products/wz4003.html

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/01032011532D

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>  <Mol_ID> (131)
2690

>  <Formula> (131)
C6H9NO5

>  <MolWeight> (131)
175.13936

>  <Cat> (131)
S7483

>  <Name> (131)
DMOG

>  <Synonyms> (131)
Dimethyloxalylglycine

>  <Target> (131)
Hydroxylase

>  <Form> (131)
Free Base

>  <CAS> (131)
89464-63-1

>  <URL> (131)
http://www.selleckchem.com/products/dmog.html

$$$$
GNE-0877.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (132)
2712

>  <Formula> (132)
C14H16F3N7

>  <MolWeight> (132)
339.3189496

>  <Cat> (132)
S7367

>  <Name> (132)
GNE-0877

>  <Synonyms> (132)
N/A

>  <Target> (132)
Others

>  <Form> (132)
Free Base

>  <CAS> (132)
1374828-69-9

>  <URL> (132)
http://www.selleckchem.com/products/gne-0877.html

$$$$
GNE7915.cdx
csChFnd80/01032011532D

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mTOR

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221877-54-9

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1536200-31-3

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AGK2

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Sirtuin

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Free Base

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304896-28-4

>  <URL> (137)
http://www.selleckchem.com/products/agk2.html

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PX-478 2HCl

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HIF

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685898-44-6

>  <URL> (138)
http://www.selleckchem.com/products/px-478-2hcl.html

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http://www.selleckchem.com/products/gkt137831.html

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Mdm2

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Free Base

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1303607-60-4

>  <URL> (141)
http://www.selleckchem.com/products/mi-773-sar405838.html

$$$$
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1093403-33-8

>  <URL> (142)
http://www.selleckchem.com/products/srt2104-gsk2245840.html

$$$$
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Akt

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1047644-62-1

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http://www.selleckchem.com/products/afuresertib-gsk2110183.html

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Free Base

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1439399-58-2

>  <URL> (144)
http://www.selleckchem.com/products/cb-839.html

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mTOR

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Free Base

>  <CAS> (145)
326914-06-1

>  <URL> (145)
http://www.selleckchem.com/products/mhy1485.html

$$$$
HTH-01-015.cdx
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AMPK

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1613724-42-7

>  <URL> (146)
http://www.selleckchem.com/products/hth-01-015.html

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BPTES

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>  <Target> (147)
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314045-39-1

>  <URL> (147)
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$$$$
Dorsomorphin.cdx
csChFnd80/01032011532D

 30 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (148)
2953

>  <Formula> (148)
C24H25N5O

>  <MolWeight> (148)
399.4882

>  <Cat> (148)
S7840

>  <Name> (148)
Dorsomorphin (Compound C)

>  <Synonyms> (148)
Compound C, BML-275

>  <Target> (148)
AMPK

>  <Form> (148)
Free Base

>  <CAS> (148)
866405-64-3

>  <URL> (148)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$
SC79.cdx
csChFnd80/01032011532D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (149)
2958

>  <Formula> (149)
C17H17ClN2O5

>  <MolWeight> (149)
364.78028

>  <Cat> (149)
S7863

>  <Name> (149)
SC79

>  <Synonyms> (149)
N/A

>  <Target> (149)
Akt

>  <Form> (149)
Free Base

>  <CAS> (149)
305834-79-1

>  <URL> (149)
http://www.selleckchem.com/products/sc79.html

$$$$
ONC201.cdx
csChFnd80/01032011532D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (150)
3016

>  <Formula> (150)
C24H26N4O

>  <MolWeight> (150)
386.48944

>  <Cat> (150)
S7963

>  <Name> (150)
TIC10

>  <Synonyms> (150)
N/A

>  <Target> (150)
Akt

>  <Form> (150)
Free Base

>  <CAS> (150)
1616632-77-9

>  <URL> (150)
http://www.selleck.cn/products/tic-10.html

$$$$
Akti-1.cdx
csChFnd80/01032011532D

 42 49  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (151)
3017

>  <Formula> (151)
C34H29N7O

>  <MolWeight> (151)
551.64036

>  <Cat> (151)
S7776

>  <Name> (151)
Akti-1/2

>  <Synonyms> (151)
N/A

>  <Target> (151)
Akt

>  <Form> (151)
Free Base

>  <CAS> (151)
612847-09-3

>  <URL> (151)
http://www.selleck.cn/products/akti-1-2.html

$$$$
SirReal2.cdx
csChFnd80/01032011532D

 29 32  0  0  0  0  0  0  0  0999 V2000
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KC7F2.cdx
csChFnd80/01032011532D

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Free Base

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927822-86-4

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http://www.selleckchem.com/products/kc7f2.html

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STF-31.cdx
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724741-75-7

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http://www.selleckchem.com/products/stf-31.html

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GSK621.cdx
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csChFnd80/01032011532D

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934493-76-2

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803647-40-7

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1223397-11-2

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http://www.selleckchem.com/products/wzb117.html

$$$$
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GlyT

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845614-11-1

>  <URL> (166)
http://www.selleckchem.com/products/bitopertin-rg1678-ro-4917838.html

$$$$
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Bempedoic acid|ESP-55016

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AMPK

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Free Base

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738606-46-7

>  <URL> (167)
http://www.selleckchem.com/products/etc-1002.html

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Akt

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1386874-06-1

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http://www.selleckchem.com/products/ly3023414.html

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M  END
>  <Mol_ID> (169)
3205

>  <Formula> (169)
C24H42O7P2

>  <MolWeight> (169)
504.533602

>  <Cat> (169)
S8302

>  <Name> (169)
SR-12813

>  <Synonyms> (169)
N/A

>  <Target> (169)
HMG-CoA Reductase

>  <Form> (169)
Free Base

>  <CAS> (169)
126411-39-0

>  <URL> (169)
http://www.selleckchem.com/products/sr-12813.html

$$$$
PRIMA-1.cdx
csChFnd80/01032011532D

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 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (170)
3215

>  <Formula> (170)
C9H15NO3

>  <MolWeight> (170)
185.2203

>  <Cat> (170)
S7723

>  <Name> (170)
PRIMA-1

>  <Synonyms> (170)
2,2-Bis(hydroxymethyl)-3-quinuclidinone

>  <Target> (170)
p53

>  <Form> (170)
Free Base

>  <CAS> (170)
5608-24-2

>  <URL> (170)
http://www.selleckchem.com/products/prima-1.html

$$$$
Deguelin.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (171)
3247

>  <Formula> (171)
C23H22O6

>  <MolWeight> (171)
394.41718

>  <Cat> (171)
S8132

>  <Name> (171)
Deguelin

>  <Synonyms> (171)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (171)
Akt

>  <Form> (171)
Free Base

>  <CAS> (171)
522-17-8

>  <URL> (171)
http://www.selleckchem.com/products/deguelin.html

$$$$
S4702 Sarcosine.cdx
csChFnd80/01032011532D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (172)
3249

>  <Formula> (172)
C3H7NO2

>  <MolWeight> (172)
89.09318

>  <Cat> (172)
S4702

>  <Name> (172)
Sarcosine

>  <Synonyms> (172)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (172)
NMDAR

>  <Form> (172)
Free Base

>  <CAS> (172)
107-97-1

>  <URL> (172)
http://www.selleckchem.com/products/sarcosine.html

$$$$
GDC-0084.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (173)
3283

>  <Formula> (173)
C18H22N8O2

>  <MolWeight> (173)
382.41968

>  <Cat> (173)
S8163

>  <Name> (173)
GDC-0084

>  <Synonyms> (173)
N/A

>  <Target> (173)
PI3K

>  <Form> (173)
Free Base

>  <CAS> (173)
1382979-44-3

>  <URL> (173)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (174)
3290

>  <Formula> (174)
C16H16N8O

>  <MolWeight> (174)
336.35124

>  <Cat> (174)
S7891

>  <Name> (174)
CC-115

>  <Synonyms> (174)
N/A

>  <Target> (174)
DNA-PK

>  <Form> (174)
Free Base

>  <CAS> (174)
1228013-15-7

>  <URL> (174)
http://www.selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/01032011532D

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1001908-89-9

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http://www.selleckchem.com/products/srt2183.html

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>  <Mol_ID> (179)
3343

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C34H51N3O3S

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TM

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Sirtuin

>  <Form> (179)
Free Base

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1429749-41-6

>  <URL> (179)
http://www.selleckchem.com/products/thiomyristoyl.html

$$$$
Salermide.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (180)
3348

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C26H22N2O2

>  <MolWeight> (180)
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S8460

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Salermide

>  <Synonyms> (180)
N/A

>  <Target> (180)
Sirtuin

>  <Form> (180)
Free Base

>  <CAS> (180)
1105698-15-4

>  <URL> (180)
http://www.selleckchem.com/products/salermide.html

$$$$
YC-1.cdx
csChFnd80/01032011532D

 23 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (181)
3350

>  <Formula> (181)
C19H16N2O2

>  <MolWeight> (181)
304.34254

>  <Cat> (181)
S7958

>  <Name> (181)
Lificiguat(YC-1)

>  <Synonyms> (181)
N/A

>  <Target> (181)
HIF

>  <Form> (181)
Free Base

>  <CAS> (181)
170632-47-0

>  <URL> (181)
http://www.selleckchem.com/products/lificiguat-yc-1.html

$$$$
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>  <Mol_ID> (182)
3360

>  <Formula> (182)
C24H21N5O4

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>  <Synonyms> (182)
N/A

>  <Target> (182)
HIF

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>  <CAS> (182)
1187990-87-9
1187990-87-9
1187990-87-9

>  <URL> (182)
http://www.selleckchem.com/products/mk-8617.html

$$$$
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M  END
>  <Mol_ID> (183)
3366

>  <Formula> (183)
C18H12N4O3

>  <MolWeight> (183)
332.31288

>  <Cat> (183)
S8426

>  <Name> (183)
10074-G5

>  <Synonyms> (183)
N/A

>  <Target> (183)
c-Myc

>  <Form> (183)
Free Base

>  <CAS> (183)
413611-93-5

>  <URL> (183)
http://www.selleckchem.com/products/10074-g5.html

$$$$
SRT3025.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (184)
3374

>  <Formula> (184)
C31H32ClN5O2S2

>  <MolWeight> (184)
606.20108

>  <Cat> (184)
S8481

>  <Name> (184)
SRT3025 HCl

>  <Synonyms> (184)
N/A

>  <Target> (184)
Sirtuin activator

>  <Form> (184)
hydrochloride

>  <CAS> (184)
2070015-26-6

>  <URL> (184)
http://www.selleckchem.com/products/srt3025.html

$$$$
BAY-876.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (185)
3379

>  <Formula> (185)
C24H16F4N6O2

>  <MolWeight> (185)
496.4164528

>  <Cat> (185)
S8452

>  <Name> (185)
BAY-876

>  <Synonyms> (185)
N/A

>  <Target> (185)
GLUT

>  <Form> (185)
Free Base

>  <CAS> (185)
1799753-84-6

>  <URL> (185)
http://www.selleckchem.com/products/bay-876.html

$$$$
3BDO.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (186)
3406

>  <Formula> (186)
C18H17NO5

>  <MolWeight> (186)
327.33128

>  <Cat> (186)
S8317

>  <Name> (186)
3BDO

>  <Synonyms> (186)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (186)
FKBP1A

>  <Form> (186)
free base

>  <CAS> (186)
890405-51-3

>  <URL> (186)
http://www.selleckchem.com/products/3bdo.html

$$$$
SF2523.cdx
csChFnd80/01032011532D

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>  <Mol_ID> (187)
3411

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C19H17NO5S

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N/A

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DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

>  <Form> (187)
free base

>  <CAS> (187)
1174428-47-7

>  <URL> (187)
http://www.selleckchem.com/products/sf2523.html

$$$$
Tofogliflozin(CSG 452).cdx
csChFnd80/01032011532D

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3422

>  <Formula> (188)
C22H28O7

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404.45352

>  <Cat> (188)
S8558

>  <Name> (188)
Tofogliflozin(CSG 452)

>  <Synonyms> (188)
N/A

>  <Target> (188)
hSGLT2

>  <Form> (188)
hydrate 

>  <CAS> (188)
1201913-82-7

>  <URL> (188)
http://www.selleckchem.com/products/tofogliflozin-csg-452.html

$$$$
LW 6.cdx
csChFnd80/01032011532D

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3432

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C26H29NO5

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LW 6

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N/A

>  <Target> (189)
HIF-1¦Á

>  <Form> (189)
free base

>  <CAS> (189)
934593-90-5

>  <URL> (189)
http://www.selleckchem.com/products/lw-6.html

$$$$
Ipragliflozin(ASP1941).cdx
csChFnd80/01032011532D

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>  <Mol_ID> (190)
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>  <Name> (190)
Ipragliflozin (ASP1941)

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N/A

>  <Target> (190)
SGLT2 

>  <Form> (190)
free base

>  <CAS> (190)
761423-87-4

>  <URL> (190)
http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
3-TYP.cdx
csChFnd80/01032011532D

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3-TYP

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3-(1H-1,2,3-triazol-4-yl) pyridine

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SIRT3,SIRT1,SIRT2

>  <Form> (191)
free base

>  <CAS> (191)
120241-79-4

>  <URL> (191)
http://www.selleckchem.com/products/3-typ.html

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M  END
>  <Mol_ID> (192)
3454

>  <Formula> (192)
C19H16ClNO3

>  <MolWeight> (192)
341.78824

>  <Cat> (192)
S8335

>  <Name> (192)
PF-06409577

>  <Synonyms> (192)
N/A

>  <Target> (192)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (192)
free base

>  <CAS> (192)
1467057-23-3

>  <URL> (192)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/01032011532D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (193)
3467

>  <Formula> (193)
C12H8ClI

>  <MolWeight> (193)
314.54939

>  <Cat> (193)
S8639

>  <Name> (193)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (193)
N/A

>  <Target> (193)
NADPH oxidase

>  <Form> (193)
chloride

>  <CAS> (193)
4673-26-1

>  <URL> (193)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
COTI-2.cdx
csChFnd80/01032011532D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (194)
3475

>  <Formula> (194)
C19H22N6S

>  <MolWeight> (194)
366.48318

>  <Cat> (194)
S8580

>  <Name> (194)
COTI-2

>  <Synonyms> (194)
N/A

>  <Target> (194)
p53 mutants

>  <Form> (194)
free base

>  <CAS> (194)
1039455-84-9

>  <URL> (194)
http://www.selleckchem.com/products/coti-2.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/01032011532D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0124    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3062    8.5037    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
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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (195)
3495

>  <Formula> (195)
C21H25ClN2O2

>  <MolWeight> (195)
372.8884

>  <Cat> (195)
S8483

>  <Name> (195)
CBL0137(CBL-0137)

>  <Synonyms> (195)
CBLC137, Curaxin 137

>  <Target> (195)
FACT,p53,NF-¦ÊB 

>  <Form> (195)
hydrochloride

>  <CAS> (195)
1197397-89-9

>  <URL> (195)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3752 isoleucine.cdx
csChFnd80/01032011532D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8484    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (196)
3518

>  <Formula> (196)
C6H13NO2

>  <MolWeight> (196)
131.17292

>  <Cat> (196)
S3752

>  <Name> (196)
isoleucine

>  <Synonyms> (196)
Ile

>  <Target> (196)
Others

>  <Form> (196)
free base

>  <CAS> (196)
73-32-5

>  <URL> (196)
http://www.selleckchem.com/products/isoleucine.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/01032011532D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (197)
3519

>  <Formula> (197)
C6H13NO2

>  <MolWeight> (197)
131.17292

>  <Cat> (197)
S3753

>  <Name> (197)
L-Leucine

>  <Synonyms> (197)
(S)-Leucine, Leu

>  <Target> (197)
Others

>  <Form> (197)
free base

>  <CAS> (197)
61-90-5

>  <URL> (197)
http://www.selleckchem.com/products/l-leucine.html

$$$$
S3963 DL-Glutamine.cdx
csChFnd80/01032011532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.0618    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2126    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (198)
3526

>  <Formula> (198)
C5H10N2O3

>  <MolWeight> (198)
146.1445

>  <Cat> (198)
S3963

>  <Name> (198)
DL-Glutamine

>  <Synonyms> (198)
Glutamin, 2-amino-4-carbamoylbutanoic acid

>  <Target> (198)
Others

>  <Form> (198)
free base

>  <CAS> (198)
1825942

>  <URL> (198)
http://www.selleckchem.com/products/dl-glutamine.html

$$$$
OSS_128167.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (199)
3534

>  <Formula> (199)
C19H14N2O6

>  <MolWeight> (199)
366.32426

>  <Cat> (199)
S8627

>  <Name> (199)
OSS-128167

>  <Synonyms> (199)
SIRT6-IN-1

>  <Target> (199)
SIRT6,SIRT1,SIRT2

>  <Form> (199)
free base

>  <CAS> (199)
887686-02-4

>  <URL> (199)
http://www.selleckchem.com/products/oss-128167.html

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/01032011532D

 17 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (200)
3666

>  <Formula> (200)
C14H11NOS

>  <MolWeight> (200)
241.30824

>  <Cat> (200)
S5304

>  <Name> (200)
2-Acetylphenothiazine (ML171)

>  <Synonyms> (200)
2-APT

>  <Target> (200)
NADPH-oxidase

>  <Form> (200)
free base

>  <CAS> (200)
6631-94-3

>  <URL> (200)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/01032011532D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (201)
3748

>  <Formula> (201)
C10H16N5O8P

>  <MolWeight> (201)
365.236501

>  <Cat> (201)
S5284

>  <Name> (201)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (201)
5'-Adenylic acid, 5'-AMP

>  <Target> (201)
AMPK

>  <Form> (201)
hydrate 

>  <CAS> (201)
18422-05-4

>  <URL> (201)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/01032011532D

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M  END
>  <Mol_ID> (202)
3770

>  <Formula> (202)
C18H16N2O

>  <MolWeight> (202)
276.33244

>  <Cat> (202)
S5313

>  <Name> (202)
SC66

>  <Synonyms> (202)
N/A

>  <Target> (202)
Akt

>  <Form> (202)
free base

>  <CAS> (202)
871361-88-5

>  <URL> (202)
http://selleckchem.com/products/sc66.html

$$$$
PK11007.cdx
csChFnd80/01032011532D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (203)
3835

>  <Formula> (203)
C6H5ClN2O4S

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>  <Cat> (203)
S8728

>  <Name> (203)
PK11007

>  <Synonyms> (203)
N/A

>  <Target> (203)
p53

>  <Form> (203)
free base

>  <CAS> (203)
38275-34-2

>  <URL> (203)
http://selleckchem.com/products/pk11007.html

$$$$
S5072 Rosuvastatin.cdx
csChFnd80/01032011532D

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    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 20  1  0  0  0  0
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M  END
>  <Mol_ID> (204)
3854

>  <Formula> (204)
C22H28FN3O6S

>  <MolWeight> (204)
481.5376232

>  <Cat> (204)
S5072

>  <Name> (204)
Rosuvastatin

>  <Synonyms> (204)
N/A

>  <Target> (204)
HMG-CoA Reductase

>  <CAS> (204)
287714-41-4

>  <URL> (204)
http://selleckchem.com/products/rosuvastatin.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/01032011532D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (205)
3856

>  <Formula> (205)
C3H8NO6P

>  <MolWeight> (205)
185.072481

>  <Cat> (205)
S5137

>  <Name> (205)
O-Phospho-L-serine

>  <Synonyms> (205)
Dexfosfoserine

>  <Target> (205)
GluR

>  <Form> (205)
free base

>  <CAS> (205)
407-41-0

>  <URL> (205)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5486 Fluorometholone.cdx
csChFnd80/01032011532D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6512    3.5034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8681    4.2068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
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 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
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 10  8  1  0  0  0  0
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 16  9  2  0  0  0  0
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 18 12  1  0  0  0  0
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 20 17  2  0  0  0  0
 27 17  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (206)
3950

>  <Formula> (206)
C22H29FO4

>  <MolWeight> (206)
376.4616632

>  <Cat> (206)
S5486

>  <Name> (206)
Fluorometholone

>  <Synonyms> (206)
Oxylone

>  <Target> (206)
Glucocorticoid Receptor

>  <Form> (206)
free base

>  <CAS> (206)
426-13-1

>  <URL> (206)
http://selleckchem.com/products/fluorometholone.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/01032011532D

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.4269    4.8810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4293    3.4859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6281    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8468    3.4845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8468    4.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6302    5.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    1.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2168    2.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9034    5.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0  0  0  0
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  3  4  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16 11  1  0  0  0  0
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 14 18  1  0  0  0  0
  1  8  1  1  0  0  0
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 17 19  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 33  1  6  0  0  0
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M  END
>  <Mol_ID> (207)
3986

>  <Formula> (207)
C24H35ClO9

>  <MolWeight> (207)
502.9823

>  <Cat> (207)
S5566

>  <Name> (207)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (207)
N/A

>  <Target> (207)
SGLT

>  <Form> (207)
monohydrate

>  <CAS> (207)
960404-48-2

>  <URL> (207)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/01032011532D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6999    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8708    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1411    5.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1344    4.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (208)
4026

>  <Formula> (208)
C20H18O6

>  <MolWeight> (208)
354.35332

>  <Cat> (208)
S3934

>  <Name> (208)
Acetyl Resveratrol

>  <Synonyms> (208)
N/A

>  <Target> (208)
Sirt12

>  <Form> (208)
free base

>  <CAS> (208)
42206-94-0

>  <URL> (208)
http://selleckchem.com/products/.html

$$$$
S5360 Diflorasone.cdx
csChFnd80/01032011532D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    3.6474    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8199    4.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 19  1  6  0  0  0
 10 11  1  0  0  0  0
 11 20  2  0  0  0  0
 12 21  2  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  6  0  0  0
 16 18  1  0  0  0  0
 18 24  1  1  0  0  0
 20 25  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (209)
4049

>  <Formula> (209)
C22H28F2O5

>  <MolWeight> (209)
410.4515264

>  <Cat> (209)
S5360

>  <Name> (209)
Diflorasone

>  <Synonyms> (209)
N/A

>  <Target> (209)
Glucocorticoid receptor

>  <Form> (209)
free base

>  <CAS> (209)
2557-49-5

>  <URL> (209)
http://selleckchem.com/products/.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/01032011532D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.2455    2.8361    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8009    4.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    4.1700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3795    2.8963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8535    1.5365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2702    1.4208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8704    0.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3633    5.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0324    4.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    4.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4579    2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6632    2.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    2.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8885    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6638    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1010    0.0069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1012    2.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3138    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5242    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7369    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7349    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5287    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3216    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9474    0.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1569    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3708    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    5.3382    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
  6  7  1  6  0  0  0
  4  8  1  6  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
 10 11  1  0  0  0  0
  1 12  1  6  0  0  0
  1 13  1  1  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  3 30  1  6  0  0  0
 12 30  1  0  0  0  0
M  END
>  <Mol_ID> (210)
4059

>  <Formula> (210)
C22H25ClO7

>  <MolWeight> (210)
436.8827

>  <Cat> (210)
S5413

>  <Name> (210)
Ertugliflozin

>  <Synonyms> (210)
PF-04971729?

>  <Target> (210)
SGLT2

>  <Form> (210)
free base

>  <CAS> (210)
1210344-57-2

>  <URL> (210)
http://selleckchem.com/products/.html

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/01032011532D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.3139    4.1415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3139    2.7574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6501    4.5460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1057    4.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897    2.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6342    2.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4913    3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    4.2054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9187    2.7893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0897    0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    4.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    2.0920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328    0.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2563    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2401    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1057    3.8009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027    1.1923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450    4.5494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0094    5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3617    6.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0163    6.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7211    7.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0736    7.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4330    9.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3049    5.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3049    1.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 31  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 32  1  6  0  0  0
  3 23  1  6  0  0  0
  3 24  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  1  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  6  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  1  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (211)
4077

>  <Formula> (211)
C23H32O6

>  <MolWeight> (211)
404.49658

>  <Cat> (211)
S5501

>  <Name> (211)
Hydrocortisone acetate

>  <Synonyms> (211)
Hydrocortisone 21-acetate

>  <Target> (211)
Glucocorticoid receptor

>  <Form> (211)
free base

>  <CAS> (211)
18325

>  <URL> (211)
http://selleckchem.com/products/.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/01032011532D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8656    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    4.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    6.2929    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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (212)
4140

>  <Formula> (212)
C15H24N2O2

>  <MolWeight> (212)
264.36326

>  <Cat> (212)
S9384

>  <Name> (212)
Sophocarpine Monohydrate

>  <Form> (212)
free base

>  <CAS> (212)
 145572-44-7

$$$$
S9062 4-Hydroxyisoleucine.cdx
csChFnd80/01032011532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  3  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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   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  2  1  1  0  0  0
  1  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
  4  7  1  6  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (213)
4226

>  <Formula> (213)
C6H13NO3

>  <MolWeight> (213)
147.17232

>  <Cat> (213)
S9062

>  <Name> (213)
4-Hydroxyisoleucine

>  <Form> (213)
free base

>  <CAS> (213)
781658-23-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/01032011532D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    9.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.4997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248   11.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   12.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   10.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0001    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    6.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3869    3.7734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8218    2.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3869    6.0266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9566    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210    6.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    6.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0965    2.8004    0.0000 H   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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  6  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 21 29  1  1  0  0  0
 22 30  1  1  0  0  0
M  END
>  <Mol_ID> (214)
4428

>  <Formula> (214)
C17H26O11

>  <MolWeight> (214)
406.38174

>  <Cat> (214)
S9307

>  <Name> (214)
Shanzhiside methyl ester

>  <Form> (214)
free base

>  <CAS> (214)
64421-28-9

$$$$
S5729 Fosfosal.cdx
csChFnd80/01032011532D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (215)
4581

>  <Formula> (215)
C7H7O6P

>  <MolWeight> (215)
218.100641

>  <Cat> (215)
S5729

>  <Name> (215)
Fosfosal

>  <Target> (215)
GLI3

>  <Form> (215)
free base

>  <CAS> (215)
6064-83-1

>  <URL> (215)
http://selleckchem.com/products/.html

$$$$

csChFnd80/01032011532D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0787    2.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8783    2.8222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2883    2.8222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0655    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    2.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8871    4.2178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8649    1.4178    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2883    4.2178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6176    2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591    2.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    3.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    4.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6176    4.6432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3017    5.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4328    3.5356    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4591    0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451    2.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0695    5.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8374    3.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4253    6.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1568    7.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8861    7.5542    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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 28  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  6 15  1  1  0  0  0
  8 16  1  0  0  0  0
  8 17  1  1  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 16 21  1  1  0  0  0
 16 18  1  0  0  0  0
 18 22  1  6  0  0  0
 19 23  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
  3 29  1  6  0  0  0
M  END
>  <Mol_ID> (216)
4687

>  <Formula> (216)
C22H29FO4

>  <MolWeight> (216)
376.4616632

>  <Cat> (216)
S5685

>  <Name> (216)
Desoximetasone

>  <Synonyms> (216)
Desoxymethasone, Desoximetasonum

>  <Target> (216)
Glucocorticoid Recep

>  <Form> (216)
Free Base

>  <CAS> (216)
382-67-2

>  <URL> (216)
http://www.selleckchem.com/products/desoximetasone.html

$$$$

csChFnd80/01032011532D

 31 32  0  0  0  0  0  0  0  0999 V2000
    6.0499    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    2.1042    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8448    2.8084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6397    4.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2599    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2697    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4748    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300    2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    5.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3392    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    0.7127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4797    2.0958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6446    6.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7640    5.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5443    3.7196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.1281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9143    5.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4894    5.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    0.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.1365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1194    3.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6945    3.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    2.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    3.5042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6945    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  3  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 30  1  1  0  0  0
  3  7  1  6  0  0  0
 10  3  1  0  0  0  0
  4  7  1  0  0  0  0
 16  4  2  0  0  0  0
 21  4  1  0  0  0  0
  9  5  2  0  0  0  0
 14  6  1  0  0  0  0
  8 13  1  1  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 12 19  1  0  0  0  0
 22 13  1  0  0  0  0
 14 23  1  1  0  0  0
 19 20  1  0  0  0  0
 19 25  1  6  0  0  0
 20 24  1  0  0  0  0
 27 21  1  0  0  0  0
 21 28  1  1  0  0  0
 24 22  1  0  0  0  0
 24 26  1  6  0  0  0
 29 27  1  0  0  0  0
 15 31  1  1  0  0  0
M  END
>  <Mol_ID> (217)
4699

>  <Formula> (217)
C23H36O7

>  <MolWeight> (217)
424.52774

>  <Cat> (217)
S5713

>  <Name> (217)
Pravastatin

>  <Synonyms> (217)
N/A

>  <Target> (217)
HMG-CoA Reductase

>  <Form> (217)
Free Base

>  <CAS> (217)
81093-37-0

>  <URL> (217)
http://www.selleckchem.com/products/pravastatin.html

$$$$

csChFnd80/01032011532D

 41 44  0  0  0  0  0  0  0  0999 V2000
    5.9799    4.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3816    4.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1910    3.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160    6.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7513    3.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6899    2.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1784    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5854    3.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1565    5.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3910    2.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4542    1.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5130    5.6439    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8023    1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819    9.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951    7.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4911    4.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8914    6.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6116    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572   10.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8476    4.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8257    3.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2260    6.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1822    4.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1603    3.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5606    5.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 17 25  2  0  0  0  0
 18 25  1  0  0  0  0
 26 19  1  0  0  0  0
 20 27  1  0  0  0  0
 21 27  2  0  0  0  0
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  1  0  0  0
 27 32  1  0  0  0  0
 28 33  2  0  0  0  0
 29 34  1  0  0  0  0
 30 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (218)
4700

>  <Formula> (218)
C33H35FN2O5

>  <MolWeight> (218)
558.6398032

>  <Cat> (218)
S5715

>  <Name> (218)
atorvastatin

>  <Synonyms> (218)
N/A

>  <Target> (218)
HMG-CoA Reductase

>  <Form> (218)
Free Base

>  <CAS> (218)
110862-48-1

>  <URL> (218)
http://www.selleckchem.com/products/atorvastatin.html

$$$$

csChFnd80/01032011532D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7921    1.5112    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203    1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203    3.3477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    3.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124    5.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196    5.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5731    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4550    1.5189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746    2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4484    3.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6746    2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    3.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7711    3.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4682    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7714    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3781    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8746    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4575    0.0000    0.0000 Br  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  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  4  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  2 10  2  0  0  0  0
  3 12  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
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (219)
4755

>  <Formula> (219)
C16H17BrN2S

>  <MolWeight> (219)
349.28858

>  <Cat> (219)
S5791

>  <Name> (219)
Cyclic Pifithrin-¦Á hydrobromide 

>  <Synonyms> (219)
N/A

>  <Target> (219)
p53

>  <Form> (219)
hydrobromide 

>  <CAS> (219)
511296-88-1

>  <URL> (219)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/01032011532D

 15 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   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
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    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
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  5  8  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  6  0  0  0
  9 10  1  0  0  0  0
  2  9  1  1  0  0  0
  5 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (220)
4761

>  <Formula> (220)
C8H15N3O4

>  <MolWeight> (220)
217.2224

>  <Cat> (220)
S5801

>  <Name> (220)
Ala-Gln

>  <Synonyms> (220)
l-alanyl-l-glutamine

>  <Target> (220)
Others

>  <Form> (220)
Free Base

>  <CAS> (220)
39537-23-0

>  <URL> (220)
http://www.selleckchem.com/products/ala-gln.html

$$$$

csChFnd80/01032011532D

 10  8  0  0  0  0  0  0  0  0999 V2000
    1.2110    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    1.8955    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    1.8955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    3.9955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594    0.0000    0.0000 Cl  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
  6  8  2  0  0  0  0
  1  9  3  0  0  0  0
M  END
>  <Mol_ID> (221)
4770

>  <Formula> (221)
C5H10ClN3S

>  <MolWeight> (221)
179.671

>  <Cat> (221)
S5811

>  <Name> (221)
Kevetrin hydrochloride

>  <Synonyms> (221)
Thioureidobutyronitrile HCl

>  <Target> (221)
p53

>  <Form> (221)
hydrochloride

>  <CAS> (221)
66592-89-0

>  <URL> (221)
http://www.selleckchem.com/products/kevetrin-hydrochloride.html

$$$$

csChFnd80/01032011532D

 63 68  0  0  0  0  0  0  0  0999 V2000
    2.4165   10.7868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    9.3868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    8.6868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    9.3868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413   10.7868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289   11.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   11.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.6892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.6892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   12.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   13.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   12.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   13.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   10.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   11.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1698   10.9150    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066   11.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4066   13.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0372   12.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4941   11.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0636   10.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4559   10.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2788   11.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7094   12.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3170   12.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6663   11.3710    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7810    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7810    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9935    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2059    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2059    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9935    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5728    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4141    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5728    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4141    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3646    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6266    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8390    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8390    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6266    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4141    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0472    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0472    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2555    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5344    3.6233    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4712    4.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7712    5.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4018    5.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8587    4.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4281    3.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8205    3.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6434    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0739    5.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6816    5.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0309    4.0793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.0028    7.4191    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
  3  8  1  1  0  0  0
  5  9  1  1  0  0  0
  2 10  1  6  0  0  0
  4 11  1  6  0  0  0
  7 12  1  0  0  0  0
  9 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  9  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  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 25  1  0  0  0  0
 28 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 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
 37 32  1  0  0  0  0
 32 38  1  1  0  0  0
 34 39  1  1  0  0  0
 36 40  1  1  0  0  0
 33 41  1  6  0  0  0
 35 42  1  6  0  0  0
 38 43  1  0  0  0  0
 40 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 40  1  0  0  0  0
 46 49  1  0  0  0  0
 45 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 51  2  0  0  0  0
 53 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 61 56  1  0  0  0  0
 59 62  1  0  0  0  0
M  END
>  <Mol_ID> (222)
4820

>  <Formula> (222)
C48H52F2O11S2

>  <MolWeight> (222)
907.0466864

>  <Cat> (222)
S5901

>  <Name> (222)
Canagliflozin hemihydrate

>  <Synonyms> (222)
N/A

>  <Target> (222)
SGLT

>  <Form> (222)
hemihydrate

>  <CAS> (222)
928672-86-0

>  <URL> (222)
http://www.selleckchem.com/products/canagliflozin-hemihydrate.html

$$$$

csChFnd80/01032011532D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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420831-40-9

>  <URL> (223)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/01032011532D

 30 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (224)
4835

>  <Formula> (224)
C22H15FN4O2S

>  <MolWeight> (224)
418.4435032

>  <Cat> (224)
S5918

>  <Name> (224)
CAY10602

>  <Synonyms> (224)
N/A

>  <Target> (224)
Sirtuin

>  <Form> (224)
Free Base

>  <CAS> (224)
374922-43-7

>  <URL> (224)
http://www.selleckchem.com/products/cay10602.html

$$$$

csChFnd80/01032011532D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (225)
4855

>  <Formula> (225)
C17H12F3NO4S

>  <MolWeight> (225)
383.3416896

>  <Cat> (225)
S8352

>  <Name> (225)
PT2385

>  <Synonyms> (225)
N/A

>  <Target> (225)
HIF

>  <Form> (225)
Free Base

>  <CAS> (225)
1672665-49-4

>  <URL> (225)
http://www.selleckchem.com/products/pt2385.html

$$$$

csChFnd80/01032011532D

 31 35  0  0  0  0  0  0  0  0999 V2000
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4863

>  <Formula> (226)
C24H18ClN3O3

>  <MolWeight> (226)
431.87102

>  <Cat> (226)
S8654

>  <Name> (226)
ex229 (compound 991)

>  <Synonyms> (226)
N/A

>  <Target> (226)
AMPK

>  <Form> (226)
Free Base

>  <CAS> (226)
1219739-36-2

>  <URL> (226)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

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    1.3797    1.8904    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
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 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 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  8  1  0  0  0  0
 25 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (227)
4888

>  <Formula> (227)
C23H32N2O2

>  <MolWeight> (227)
368.51238

>  <Cat> (227)
S8771

>  <Name> (227)
IDF-11774

>  <Synonyms> (227)
N/A

>  <Target> (227)
HIF

>  <Form> (227)
Free Base

>  <CAS> (227)
1429054-28-3

>  <URL> (227)
http://www.selleckchem.com/products/idf-11774.html

$$$$

csChFnd80/01032011532D

 33 37  0  0  0  0  0  0  0  0999 V2000
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   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3476    4.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1476    4.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1542    2.0084    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  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
 12 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  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 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (228)
4897

>  <Formula> (228)
C27H19ClN2O3

>  <MolWeight> (228)
454.90436

>  <Cat> (228)
S8803

>  <Name> (228)
MK-3903

>  <Synonyms> (228)
N/A

>  <Target> (228)
AMPK

>  <Form> (228)
Free Base

>  <CAS> (228)
1219737-12-8

>  <URL> (228)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/01032011532D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (229)
5053

>  <Formula> (229)
C6H12O3

>  <MolWeight> (229)
132.15768

>  <Cat> (229)
S6046

>  <Name> (229)
(S)-Leucic acid

>  <Synonyms> (229)
(S)-¦Á-hydroxyisocaproic acid

>  <Target> (229)
Others

>  <Form> (229)
free base

>  <CAS> (229)
13748-90-8

>  <URL> (229)
http://www.selleck.cn/products/s-leucic-acid.html

$$$$

csChFnd80/01032011532D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3530    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    7.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6707    2.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (230)
5075

>  <Formula> (230)
C13H16N2O4

>  <MolWeight> (230)
264.27714

>  <Cat> (230)
S6076

>  <Name> (230)
Phenylacetylglutamine

>  <Synonyms> (230)
N/A

>  <Target> (230)
Others

>  <Form> (230)
free base

>  <CAS> (230)
28047-15-6

>  <URL> (230)
http://www.selleck.cn/products/phenylacetylglutamine.html

$$$$

csChFnd80/01032011532D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    2.3423    2.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8528    4.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2026    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.0367    3.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.2446    1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4576    1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6704    1.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6704    3.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4578    3.8845    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
  8 10  2  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 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 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 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (231)
5233

>  <Formula> (231)
C25H26N8O2S2

>  <MolWeight> (231)
534.65634

>  <Cat> (231)
S8778

>  <Name> (231)
UPGL00004

>  <Synonyms> (231)
N/A

>  <Target> (231)
Glutaminase

>  <Form> (231)
free base

>  <CAS> (231)
1890169-95-5

>  <URL> (231)
http://www.selleck.cn/products/upgl00004.html

$$$$

csChFnd80/01032011532D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (232)
5243

>  <Formula> (232)
C8H16N2O3

>  <MolWeight> (232)
188.22424

>  <Cat> (232)
S6054

>  <Name> (232)
Glycyl-L-leucine

>  <Synonyms> (232)
N/A

>  <Target> (232)
Others

>  <Form> (232)
free base

>  <CAS> (232)
869-19-2

>  <URL> (232)
http://www.selleck.cn/products/glycyl-l-leucine.html

$$$$

csChFnd80/01032011532D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  5  8  1  0  0  0  0
  5  9  1  6  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (233)
5262

>  <Formula> (233)
C9H18N2O3

>  <MolWeight> (233)
202.25082

>  <Cat> (233)
S6153

>  <Name> (233)
L-Leucyl-L-alanine Hydrate

>  <Synonyms> (233)
H-Leu-Ala-OH

>  <Target> (233)
Others

>  <Form> (233)
Hydrate

>  <CAS> (233)
7298-84-2

>  <URL> (233)
http://www.selleck.cn/products/l-leucyl-l-alanine-hydrate.html

$$$$

csChFnd80/01032011532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8505    1.4009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6363    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    3.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    3.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (234)
5269

>  <Formula> (234)
C5H9NO4

>  <MolWeight> (234)
147.12926

>  <Cat> (234)
S6266

>  <Name> (234)
(S)-Glutamic acid

>  <Synonyms> (234)
L-Glutamic acid

>  <Target> (234)
GluR

>  <Form> (234)
free base

>  <CAS> (234)
56-86-0

>  <URL> (234)
http://www.selleck.cn/products/s-glutamic-acid.html

$$$$

csChFnd80/01032011532D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    4.7694    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
  5  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  6  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  3  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  8 19  1  0  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 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (235)
5354

>  <Formula> (235)
C21H20N4O

>  <MolWeight> (235)
344.4097

>  <Cat> (235)
S6417

>  <Name> (235)
GK921

>  <Synonyms> (235)
N/A

>  <Target> (235)
Glutaminase

>  <Form> (235)
Free Base

>  <CAS> (235)
1025015-40-0

>  <URL> (235)
http://www.selleck.cn/products/gk921.html

$$$$

csChFnd80/01032011532D

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.9145    8.4047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    7.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    6.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887    5.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    7.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877    8.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    9.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1256    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    5.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    5.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    6.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    7.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    7.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    8.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    9.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666    3.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666    2.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    1.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    1.4103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6255    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1035    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4827    4.2134    0.0000 Cl  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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 17  1  0  0  0  0
 10 11  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 24 26  1  0  0  0  0
 21 29  1  0  0  0  0
 10 20  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (236)
6757

>  <Formula> (236)
C23H24ClN3O2

>  <MolWeight> (236)
409.90856

>  <Cat> (236)
S6608

>  <Name> (236)
AL082D06

>  <Synonyms> (236)
N/A

>  <Target> (236)
Glucocorticoid Recep

>  <Form> (236)
free base

>  <CAS> (236)
256925-03-8

>  <URL> (236)
http://www.selleck.cn/products/al082D06.html

$$$$

csChFnd80/01032011532D

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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    0.0000    0.0000 C   0  0  0  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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    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
  3  8  1  0  0  0  0
  8  9  1  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 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  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 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  0  0  0  0
 19 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  1  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (237)
6770

>  <Formula> (237)
C34H38N2O4

>  <MolWeight> (237)
538.67652

>  <Cat> (237)
S8818

>  <Name> (237)
V-9302

>  <Synonyms> (237)
N/A

>  <Target> (237)
Amino acid transport

>  <Form> (237)
free base

>  <CAS> (237)
1855871-76-9

>  <URL> (237)
http://www.selleck.cn/products/v-9302.html

$$$$
