untitled.cdx
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21

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C28H22F3N7O

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S1033

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Nilotinib (AMN-107)

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Tasigna 

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Bcr-Abl

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Free Base

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641571-10-0

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

$$$$
1.cdx
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26

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348.35534

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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

$$$$
RAPAMYCIN.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (3)
27

>  <Formula> (3)
C51H79NO13

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>  <Cat> (3)
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>  <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

$$$$
untitled.cdx
csChFnd80/01042313322D

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41

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C23H27N7O3S2

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Free Base

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957054-30-7

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http://www.selleckchem.com/products/GDC-0941.html

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M  END
>  <Mol_ID> (5)
44

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C19H21F2N7O2

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S1072

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ZSTK474

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N/A

>  <Target> (5)
PI3K 

>  <Form> (5)
Free Base

>  <CAS> (5)
475110-96-4

>  <URL> (5)
http://www.selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (6)
45

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C19H12Cl2N2O2

>  <MolWeight> (6)
371.21678

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S1075

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SB 216763

>  <Synonyms> (6)
N/A

>  <Target> (6)
GSK-3 

>  <Form> (6)
Free Base

>  <CAS> (6)
280744-09-4

>  <URL> (6)
http://www.selleckchem.com/products/SB-216763.html

$$$$

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>  <Mol_ID> (7)
48

>  <Formula> (7)
C25H23Cl2N5O

>  <MolWeight> (7)
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>  <Cat> (7)
S1078

>  <Name> (7)
MK-2206 dihydrochloride

>  <Synonyms> (7)
N/A

>  <Target> (7)
Akt

>  <Form> (7)
Dihydrochloride

>  <CAS> (7)
1032350-13-2

>  <URL> (7)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/01042313322D

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ATM 

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587871-26-9

>  <URL> (8)
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>  <Target> (9)
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>  <Form> (9)
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>  <CAS> (9)
154447-36-6

>  <URL> (9)
http://www.selleckchem.com/products/LY294002.html

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>  <Target> (10)
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>  <CAS> (10)
755038-02-9

>  <URL> (10)
http://www.selleckchem.com/products/BI-2536.html

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>  <Synonyms> (11)
Certican, Zortress, Afinitor

>  <Target> (11)
mTOR

>  <Form> (11)
Free Base

>  <CAS> (11)
159351-69-6

>  <URL> (11)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
Paclitaxel.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (12)
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C47H51NO14

>  <MolWeight> (12)
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>  <Cat> (12)
S1150

>  <Name> (12)
Paclitaxel (Taxol)

>  <Synonyms> (12)
N/A 

>  <Target> (12)
Microtubule Associated

>  <Form> (12)
Free Base

>  <CAS> (12)
33069-62-4

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

$$$$
TGX-221.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (13)
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>  <Formula> (13)
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>  <MolWeight> (13)
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>  <Cat> (13)
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>  <Name> (13)
TGX-221

>  <Synonyms> (13)
N/A

>  <Target> (13)
PI3K

>  <Form> (13)
Free Base

>  <CAS> (13)
663619-89-4

>  <URL> (13)
http://www.selleckchem.com/products/TGX-221.html

$$$$
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M  END
>  <Mol_ID> (14)
126

>  <Formula> (14)
C27H30ClNO11

>  <MolWeight> (14)
579.9802

>  <Cat> (14)
S1208

>  <Name> (14)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (14)
N/A 

>  <Target> (14)
Topoisomerase

>  <Form> (14)
Hydrochloride

>  <CAS> (14)
25316-40-9

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

$$$$
KU-0063794.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (15)
136

>  <Formula> (15)
C25H31N5O4

>  <MolWeight> (15)
465.54474

>  <Cat> (15)
S1226

>  <Name> (15)
Ku-0063794

>  <Synonyms> (15)
N/A

>  <Target> (15)
mTOR 

>  <Form> (15)
Free Base

>  <CAS> (15)
938440-64-3

>  <URL> (15)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (16)
140

>  <Formula> (16)
C19H26O3

>  <MolWeight> (16)
302.40794

>  <Cat> (16)
S1233

>  <Name> (16)
2-Methoxyestradiol

>  <Synonyms> (16)
2-ME2

>  <Target> (16)
HIF

>  <Form> (16)
Free Base

>  <CAS> (16)
362-07-2

>  <URL> (16)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
leflunomide.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (17)
145

>  <Formula> (17)
C12H9F3N2O2

>  <MolWeight> (17)
270.2072696

>  <Cat> (17)
S1247

>  <Name> (17)
Leflunomide

>  <Synonyms> (17)
Arava

>  <Target> (17)
Dehydrogenase

>  <Form> (17)
Free Base

>  <CAS> (17)
75706-12-6

>  <URL> (17)
http://www.selleckchem.com/products/Leflunomide.html

$$$$
WYE-354.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (18)
158

>  <Formula> (18)
C24H29N7O5

>  <MolWeight> (18)
495.53096

>  <Cat> (18)
S1266

>  <Name> (18)
WYE-354

>  <Synonyms> (18)
N/A

>  <Target> (18)
mTOR 

>  <Form> (18)
Free Base

>  <CAS> (18)
1062169-56-5

>  <URL> (18)
http://www.selleckchem.com/products/WYE-354.html

$$$$
Budesonide.cdx
csChFnd80/01042313322D

 35 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
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    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
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   11.8850    6.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9687    4.6326    0.0000 H   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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 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (19)
166

>  <Formula> (19)
C25H34O6

>  <MolWeight> (19)
430.53386

>  <Cat> (19)
S1286

>  <Name> (19)
Budesonide

>  <Synonyms> (19)
N/A

>  <Target> (19)
Glucocorticoid Receptor

>  <Form> (19)
Free Base

>  <CAS> (19)
51333-22-3

>  <URL> (19)
http://www.selleckchem.com/products/Budesonide.html

$$$$
Deflazacort.cdx
csChFnd80/01042313322D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    4.2000    0.0000 C   0  0  2  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> (20)
179

>  <Formula> (20)
C25H31NO6

>  <MolWeight> (20)
441.51674

>  <Cat> (20)
S1888

>  <Name> (20)
Deflazacort (Calcort)

>  <Synonyms> (20)
Cortax, Decortil, Deflanil

>  <Target> (20)
Glucocorticoid Receptor

>  <Form> (20)
Free Base

>  <CAS> (20)
14484-47-0

>  <URL> (20)
http://www.selleckchem.com/products/Deflazacor.html

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/01042313322D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
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 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (21)
199

>  <Formula> (21)
C21H27FO6

>  <MolWeight> (21)
394.4338832

>  <Cat> (21)
S1933

>  <Name> (21)
Triamcinolone (Aristocort)

>  <Synonyms> (21)
N/A

>  <Target> (21)
Glucocorticoid Receptor

>  <Form> (21)
Free Base

>  <CAS> (21)
124-94-7

>  <URL> (21)
http://www.selleckchem.com/products/Triamcinolone(Aristocort).html

$$$$
Genistein.cdx
csChFnd80/01042313322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Topoisomerase
EGFR

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Free Base

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446-72-0

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

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N/A

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PI3K

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Free Base

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677297-51-7

>  <URL> (23)
http://www.selleckchem.com/products/TG100-115.html

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resveratrol.cdx
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501-36-0

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

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287

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HIF

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808118-40-3

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http://www.selleckchem.com/products/fg-4592.html

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>  <URL> (26)
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 27 29  1  0  0  0  0
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M  END
>  <Mol_ID> (27)
310

>  <Formula> (27)
C22H29FO5

>  <MolWeight> (27)
392.4610632

>  <Cat> (27)
S1500

>  <Name> (27)
Betamethasone (Celestone)

>  <Synonyms> (27)
Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470 

>  <Target> (27)
Glucocorticoid Receptor

>  <Form> (27)
Free Base

>  <CAS> (27)
378-44-9

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

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/01042313322D

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (28)
311

>  <Formula> (28)
C23H31NO7

>  <MolWeight> (28)
433.49474

>  <Cat> (28)
S1501

>  <Name> (28)
Mycophenolate mofetil (CellCept)

>  <Synonyms> (28)
CellCept, RS 61443, TM-MMF

>  <Target> (28)
Dehydrogenase

>  <Form> (28)
Free Base

>  <CAS> (28)
128794-94-5

>  <URL> (28)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

$$$$
P529.cdx
csChFnd80/01042313322D

 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
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M  END
>  <Mol_ID> (29)
317

>  <Formula> (29)
C24H22O6

>  <MolWeight> (29)
406.42788

>  <Cat> (29)
S2238

>  <Name> (29)
Palomid 529

>  <Synonyms> (29)
P529

>  <Target> (29)
mTOR

>  <Form> (29)
Free Base

>  <CAS> (29)
914913-88-5

>  <URL> (29)
http://www.selleckchem.com/products/Palomid-529-P529.html

$$$$
XL-765.cdx
csChFnd80/01042313322D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
318

>  <Formula> (30)
C31H29N5O6S

>  <MolWeight> (30)
599.65686

>  <Cat> (30)
S1523

>  <Name> (30)
XL765

>  <Synonyms> (30)
N/A 

>  <Target> (30)
PI3K, mTOR

>  <Form> (30)
Free Base

>  <CAS> (30)
1349796-36-6

>  <URL> (30)
http://www.selleckchem.com/products/XL765(SAR245409).html#

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/01042313322D

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mTOR

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1009298-09-2

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1191951-57-1

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857531-00-1

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1744-22-5

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    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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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (36)
373

>  <Formula> (36)
C21H26O5

>  <MolWeight> (36)
358.42814

>  <Cat> (36)
S1622

>  <Name> (36)
Prednisone (Adasone)

>  <Synonyms> (36)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (36)
Glucocorticoid Receptor

>  <Form> (36)
Free Base

>  <CAS> (36)
19420

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

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/01042313322D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  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
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  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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
 17 28  1  6  0  0  0
 27 29  1  0  0  0  0
 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> (37)
378

>  <Formula> (37)
C24H31FO6

>  <MolWeight> (37)
434.4977432

>  <Cat> (37)
S1628

>  <Name> (37)
Triamcinolone Acetonide

>  <Synonyms> (37)
Azmacort

>  <Target> (37)
Glucocorticoid Receptor

>  <Form> (37)
Free Base

>  <CAS> (37)
76-25-5 

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

$$$$
Artemisinin.cdx
csChFnd80/01042313322D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0912    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    3.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5019    4.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    5.4860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2405    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    3.4825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1249    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1512    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9757    2.7825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4354    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  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
  5 12  1  6  0  0  0
 11 13  1  6  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  0  0  0  0
  8 17  1  6  0  0  0
 16 18  1  1  0  0  0
 15 19  2  0  0  0  0
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  1 21  1  6  0  0  0
 21 22  1  0  0  0  0
  4 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (38)
390

>  <Formula> (38)
C15H22O5

>  <MolWeight> (38)
282.33218

>  <Cat> (38)
S1282

>  <Name> (38)
Artemisinin

>  <Synonyms> (38)
Qinghaosu

>  <Target> (38)
Antifection

>  <Form> (38)
Free Base

>  <CAS> (38)
63968-64-9

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

$$$$
AT101.cdx
csChFnd80/01042313322D

 42 44  0  0  0  0  0  0  0  0999 V2000
    8.1705    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    9.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   13.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0  0  0  0
 13 25  1  0  0  0  0
 27 28  2  0  0  0  0
 23 27  1  0  0  0  0
 29 30  1  0  0  0  0
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 17 35  1  0  0  0  0
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 22 37  1  0  0  0  0
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 15 42  1  0  0  0  0
M  CFW  18 BOND_GSTEREO 5
M  END
>  <Mol_ID> (39)
392

>  <Formula> (39)
C32H34O10

>  <MolWeight> (39)
578.60636

>  <Cat> (39)
S2812

>  <Name> (39)
AT101

>  <Synonyms> (39)
N/A

>  <Target> (39)
Bcl-2

>  <Form> (39)
Free Base

>  <CAS> (39)
866541-93-7

>  <URL> (39)
http://www.selleckchem.com/products/at101.html

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/01042313322D

 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
    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
    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
 19 20  1  0  0  0  0
 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> (40)
403

>  <Formula> (40)
C24H31ClO7

>  <MolWeight> (40)
466.95174

>  <Cat> (40)
S1669

>  <Name> (40)
Loteprednol etabonate

>  <Synonyms> (40)
Alrex, Lotemax

>  <Target> (40)
Glucocorticoid Receptor

>  <Form> (40)
Free Base

>  <CAS> (40)
82034-46-6

>  <URL> (40)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/01042313322D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    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
    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (41)
409

>  <Formula> (41)
C10H20N2S4

>  <MolWeight> (41)
296.5392

>  <Cat> (41)
S1680

>  <Name> (41)
Disulfiram (Antabuse)

>  <Synonyms> (41)
Antabuse, Antabus

>  <Target> (41)
Dehydrogenase

>  <Form> (41)
Free Base

>  <CAS> (41)
97-77-8

>  <URL> (41)
http://www.selleckchem.com/products/Disulfiram(Antabuse).html

$$$$
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx
csChFnd80/01042313322D

 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
  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
 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> (42)
412

>  <Formula> (42)
C28H37FO7

>  <MolWeight> (42)
504.5875832

>  <Cat> (42)
S1688

>  <Name> (42)
Betamethasone Dipropionate (Diprolene)

>  <Synonyms> (42)
Diprospan, Diprolene, Diprosone, Diprolene AF 

>  <Target> (42)
Glucocorticoid Receptor

>  <Form> (42)
Free Base

>  <CAS> (42)
5593-20-4

>  <URL> (42)
http://www.selleckchem.com/products/Betamethasone-Dipropionate(Diprolene).html

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/01042313322D

 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
    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
    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
    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
 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  2  0  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 17 26  1  6  0  0  0
 17 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (43)
413

>  <Formula> (43)
C22H28O5

>  <MolWeight> (43)
372.45472

>  <Cat> (43)
S1689

>  <Name> (43)
Betapar (Meprednisone)

>  <Synonyms> (43)
Betanisona

>  <Target> (43)
Glucocorticoid Receptor

>  <Form> (43)
Free Base

>  <CAS> (43)
1247-42-3

>  <URL> (43)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/01042313322D

 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
    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
    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
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  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> (44)
414

>  <Formula> (44)
C27H37FO6

>  <MolWeight> (44)
476.5774832

>  <Cat> (44)
S1690

>  <Name> (44)
Betamethasone valerate (Betnovate)

>  <Synonyms> (44)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (44)
Glucocorticoid Receptor

>  <Form> (44)
Free Base

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

>  <URL> (44)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/01042313322D

 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> (45)
419

>  <Formula> (45)
C21H30O5

>  <MolWeight> (45)
362.4599

>  <Cat> (45)
S1696

>  <Name> (45)
Hydrocortisone (Cortisol)

>  <Synonyms> (45)
Cortisol

>  <Target> (45)
Glucocorticoid Receptor

>  <Form> (45)
Free Base

>  <CAS> (45)
50-23-7

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

$$$$
DESOWEN (desonide).cdx
csChFnd80/01042313322D

 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> (46)
420

>  <Formula> (46)
C24H32O6

>  <MolWeight> (46)
416.50728

>  <Cat> (46)
S1701

>  <Name> (46)
Desonide

>  <Synonyms> (46)
Locapred, Topifug, Tridesilon

>  <Target> (46)
Glucocorticoid Receptor

>  <Form> (46)
Free Base

>  <CAS> (46)
638-94-8

>  <URL> (46)
http://www.selleckchem.com/products/Desonide.html

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/01042313322D

 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> (47)
438

>  <Formula> (47)
C22H30O5

>  <MolWeight> (47)
374.4706

>  <Cat> (47)
S1733

>  <Name> (47)
Methylprednisolone

>  <Synonyms> (47)
Medrol, Solu-Medrol, Medrone

>  <Target> (47)
Glucocorticoid Receptor

>  <Form> (47)
Free Base

>  <CAS> (47)
83-43-2

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

$$$$
CTEP.cdx
csChFnd80/01042313322D

 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
   13.9656    3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657    3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0657    4.2385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657    5.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9656    5.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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473

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C19H13ClF3N3O

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CTEP (RO4956371)

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N/A

>  <Target> (48)
GluR

>  <Form> (48)
Free Base

>  <CAS> (48)
871362-31-1

>  <URL> (48)
http://www.selleckchem.com/products/ctep.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/01042313322D

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486

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C4H12ClN5

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165.62458

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S1950

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Metformin hydrochloride (Glucophage)

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Glucophage, Riomet, Diabex

>  <Target> (49)
Others

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Hydrochloride

>  <CAS> (49)
1115-70-4

>  <URL> (49)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Silibinin.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (50)
503

>  <Formula> (50)
C25H22O10

>  <MolWeight> (50)
482.43618

>  <Cat> (50)
S2357

>  <Name> (50)
Silibinin (Silybin)

>  <Synonyms> (50)
Silybin

>  <Target> (50)
Others

>  <Form> (50)
Free Base

>  <CAS> (50)
22888-70-6

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

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (51)
517

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C42H65NO16

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Ammonium Glycyrrhizinate (AMGZ)

>  <Synonyms> (51)
AMGZ

>  <Target> (51)
Dehydrogenase

>  <Form> (51)
Glycyrrhizic acid salt

>  <CAS> (51)
1407-03-0

>  <URL> (51)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

$$$$
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549

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CHIR-98014

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N/A

>  <Target> (52)
GSK-3

>  <Form> (52)
Free Base

>  <CAS> (52)
252935-94-7

>  <URL> (52)
http://www.selleckchem.com/products/chir-98014.html

$$$$
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553

>  <Formula> (53)
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>  <Cat> (53)
S1158

>  <Name> (53)
MK-8245

>  <Synonyms> (53)
N/A

>  <Target> (53)
Dehydrogenase

>  <Form> (53)
Free Base

>  <CAS> (53)
1030612-90-8

>  <URL> (53)
http://www.selleckchem.com/products/mk-8245.html

$$$$
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>  <Mol_ID> (54)
554

>  <Formula> (54)
C32H29F3N6O6

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>  <Cat> (54)
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>  <Name> (54)
NVP-BGT226

>  <Synonyms> (54)
N/A 

>  <Target> (54)
PI3K, mTOR

>  <Form> (54)
Maleate

>  <CAS> (54)
1245537-68-1

>  <URL> (54)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
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371942-69-7

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702675-74-9

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702674-56-4

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>  <Mol_ID> (63)
615

>  <Formula> (63)
C24H15F3N4O

>  <MolWeight> (63)
432.3973096

>  <Cat> (63)
S2817

>  <Name> (63)
Torin 2

>  <Synonyms> (63)
N/A 

>  <Target> (63)
mTOR

>  <Form> (63)
Free Base

>  <CAS> (63)
1223001-51-1

>  <URL> (63)
http://www.selleckchem.com/products/torin-2.html

$$$$
BYL-719.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (64)
616

>  <Formula> (64)
C19H22F3N5O2S

>  <MolWeight> (64)
441.4704896

>  <Cat> (64)
S2814

>  <Name> (64)
Alpelisib (BYL719)

>  <Synonyms> (64)
N/A 

>  <Target> (64)
PI3K

>  <Form> (64)
Free Base

>  <CAS> (64)
1217486-61-7

>  <URL> (64)
http://www.selleckchem.com/products/byl719.html

$$$$
Quercetin.cdx
csChFnd80/01042313322D

 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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M  END
>  <Mol_ID> (65)
623

>  <Formula> (65)
C15H10O7

>  <MolWeight> (65)
302.2357

>  <Cat> (65)
S2391

>  <Name> (65)
Quercetin (Sophoretin)

>  <Synonyms> (65)
Meletin, Quercetine

>  <Target> (65)
PI3K, PKC, Src, Sirtuin

>  <Form> (65)
Free Base

>  <CAS> (65)
117-39-5

>  <URL> (65)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
Salidroside.cdx
csChFnd80/01042313322D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
627

>  <Formula> (66)
C14H20O7

>  <MolWeight> (66)
300.3044

>  <Cat> (66)
S2396

>  <Name> (66)
Salidroside (Rhodioloside)

>  <Synonyms> (66)
Rhodioloside

>  <Target> (66)
Others

>  <Form> (66)
Free Base

>  <CAS> (66)
10338-51-9

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

$$$$
dextrose.cdx
csChFnd80/01042313322D

 12 11  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (67)
632

>  <Formula> (67)
C6H12O6

>  <MolWeight> (67)
180.15588

>  <Cat> (67)
S2123

>  <Name> (67)
Dextrose (D-glucose)

>  <Synonyms> (67)
D-glucose, Grape sugar 

>  <Target> (67)
Others

>  <Form> (67)
Free Base

>  <CAS> (67)
50-99-7

>  <URL> (67)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

$$$$
PP442.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (68)
684

>  <Formula> (68)
C16H16N6O

>  <MolWeight> (68)
308.33784

>  <Cat> (68)
S2218

>  <Name> (68)
Torkinib (PP242)

>  <Synonyms> (68)
TORKinib 

>  <Target> (68)
mTOR

>  <Form> (68)
Free Base

>  <CAS> (68)
1092351-67-1

>  <URL> (68)
http://www.selleckchem.com/products/PP242.html

$$$$
(+)-Usniacin.cdx
csChFnd80/01042313322D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (69)
688

>  <Formula> (69)
C18H16O7

>  <MolWeight> (69)
344.31544

>  <Cat> (69)
S2252

>  <Name> (69)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (69)
D-Usnic acid

>  <Target> (69)
Others

>  <Form> (69)
Free Base

>  <CAS> (69)
7562-61-0

>  <URL> (69)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
MPEP.cdx
csChFnd80/01042313322D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (70)
699

>  <Formula> (70)
C14H11N

>  <MolWeight> (70)
193.24384

>  <Cat> (70)
S2809

>  <Name> (70)
MPEP

>  <Synonyms> (70)
N/A 

>  <Target> (70)
GluR

>  <Form> (70)
Free Base

>  <CAS> (70)
96206-92-7

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

$$$$
Cryptotanshinone.cdx
csChFnd80/01042313322D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (71)
711

>  <Formula> (71)
C19H20O3

>  <MolWeight> (71)
296.3603

>  <Cat> (71)
S2285

>  <Name> (71)
Cryptotanshinone

>  <Synonyms> (71)
N/A

>  <Target> (71)
STAT

>  <Form> (71)
Free Base

>  <CAS> (71)
35825-57-1

>  <URL> (71)
http://www.selleckchem.com/products/Cryptotanshinone.html

$$$$
Emodin.cdx
csChFnd80/01042313322D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 14  5  1  0  0  0  0
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M  END
>  <Mol_ID> (72)
717

>  <Formula> (72)
C15H10O5

>  <MolWeight> (72)
270.2369

>  <Cat> (72)
S2295

>  <Name> (72)
Emodin

>  <Synonyms> (72)
N/A

>  <Target> (72)
Dehydrogenase

>  <Form> (72)
Free Base

>  <CAS> (72)
518-82-1

>  <URL> (72)
http://www.selleckchem.com/products/Emodin.html

$$$$
Enoxolone.cdx
csChFnd80/01042313322D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 18 27  1  1  0  0  0
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M  END
>  <Mol_ID> (73)
718

>  <Formula> (73)
C30H46O4

>  <MolWeight> (73)
470.68384

>  <Cat> (73)
S2296

>  <Name> (73)
Enoxolone (Glycyrrhetin)

>  <Synonyms> (73)
Glycyrrhetin, Uralenic acid 

>  <Target> (73)
Dehydrogenase

>  <Form> (73)
Free Base

>  <CAS> (73)
471-53-4

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

$$$$
Glycyrrhizic acid.cdx
csChFnd80/01042313322D

 61 67  0  0  0  0  0  0  0  0999 V2000
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   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7490    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7490    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    9.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9615   10.4879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3863   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3863   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9615   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    9.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3763   12.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    5.5903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1840   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7490    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 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 18  1  0  0  0  0
 18 12  1  0  0  0  0
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 19 20  1  0  0  0  0
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  2 23  1  1  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 18 26  1  1  0  0  0
 17 27  1  1  0  0  0
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 28 30  2  0  0  0  0
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  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  1  6  0  0  0
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 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 21 40  1  6  0  0  0
 11 41  1  6  0  0  0
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  4 43  1  6  0  0  0
 37 44  1  6  0  0  0
 39 45  1  6  0  0  0
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 50 51  1  0  0  0  0
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M  END
>  <Mol_ID> (74)
723

>  <Formula> (74)
C42H62O16

>  <MolWeight> (74)
822.93208

>  <Cat> (74)
S2302

>  <Name> (74)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Synonyms> (74)
N/A

>  <Target> (74)
Others

>  <Form> (74)
Free Base

>  <CAS> (74)
1405-86-3

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

$$$$
Honokiol.cdx
csChFnd80/01042313322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 16 17  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (75)
730

>  <Formula> (75)
C18H18O2

>  <MolWeight> (75)
266.33432

>  <Cat> (75)
S2310

>  <Name> (75)
Honokiol

>  <Synonyms> (75)
N/A

>  <Target> (75)
Akt, MEK

>  <Form> (75)
Free Base

>  <CAS> (75)
35354-74-6

>  <URL> (75)
http://www.selleckchem.com/products/Honokiol.html

$$$$
Oridonin.cdx
csChFnd80/01042313322D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
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  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
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 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (76)
749

>  <Formula> (76)
C20H28O6

>  <MolWeight> (76)
364.43272

>  <Cat> (76)
S2335

>  <Name> (76)
Oridonin (Isodonol)

>  <Synonyms> (76)
Isodonol

>  <Target> (76)
Others

>  <Form> (76)
Free Base

>  <CAS> (76)
28957-04-2

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

$$$$
Phloretin.cdx
csChFnd80/01042313322D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  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
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  8  9  1  0  0  0  0
 10  5  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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  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (77)
755

>  <Formula> (77)
C15H14O5

>  <MolWeight> (77)
274.26866

>  <Cat> (77)
S2342

>  <Name> (77)
Phloretin

>  <Synonyms> (77)
Dihydronaringenin

>  <Target> (77)
SGLT

>  <Form> (77)
Free Base

>  <CAS> (77)
60-82-2

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

$$$$
Phlorizin.cdx
csChFnd80/01042313322D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1202    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
 17 26  1  6  0  0  0
 15 27  1  6  0  0  0
 22 28  1  0  0  0  0
  7 29  2  0  0  0  0
  3 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (78)
756

>  <Formula> (78)
C21H24O10

>  <MolWeight> (78)
436.40926

>  <Cat> (78)
S2343

>  <Name> (78)
Phlorizin (Phloridzin)

>  <Synonyms> (78)
Phlorhizin, Phlorizoside 

>  <Target> (78)
SGLT

>  <Form> (78)
Free Base

>  <CAS> (78)
60-81-1

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/01042313322D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (79)
759

>  <Formula> (79)
C15H14O9

>  <MolWeight> (79)
338.26626

>  <Cat> (79)
S2347

>  <Name> (79)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (79)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (79)
Others

>  <Form> (79)
Dihydrate

>  <CAS> (79)
6151-25-3

>  <URL> (79)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/01042313322D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (80)
764

>  <Formula> (80)
C15H12O8

>  <MolWeight> (80)
320.25098

>  <Cat> (80)
S2399

>  <Name> (80)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (80)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (80)
Others

>  <Form> (80)
Free Base

>  <CAS> (80)
27200-12-0

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

$$$$
Sophocarpine.cdx
csChFnd80/01042313322D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (81)
767

>  <Formula> (81)
C15H22N2O

>  <MolWeight> (81)
246.34798

>  <Cat> (81)
S2405

>  <Name> (81)
Sophocarpine

>  <Synonyms> (81)
N/A

>  <Target> (81)
Others

>  <Form> (81)
Free Base

>  <CAS> (81)
6483-15-4

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

$$$$
Mycophenolic acid.cdx
csChFnd80/01042313322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0495    4.1903    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
  7 14  2  0  0  0  0
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 12 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (82)
800

>  <Formula> (82)
C17H20O6

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>  <Name> (82)
Mycophenolic acid

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Mycophenolate, RS-61443

>  <Target> (82)
Dehydrogenase

>  <Form> (82)
Free Base

>  <CAS> (82)
24280-93-1

>  <URL> (82)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

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C25H17F2N5O3S

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Omipalisib (GSK2126458, GSK458)

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N/A 

>  <Target> (83)
PI3K, mTOR

>  <Form> (83)
Free Base

>  <CAS> (83)
1086062-66-9 

>  <URL> (83)
http://www.selleckchem.com/products/gsk2126458.html

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838

>  <Formula> (84)
C22H18FN7O

>  <MolWeight> (84)
415.4230232

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S2226

>  <Name> (84)
CAL-101 (GS-1101)

>  <Synonyms> (84)
CAL101

>  <Target> (84)
PI3K 

>  <Form> (84)
Free Base

>  <CAS> (84)
870281-82-6

>  <URL> (84)
http://www.selleckchem.com/products/CAL-101.html

$$$$
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>  <Synonyms> (85)
N/A 

>  <Target> (85)
PI3K 

>  <Form> (85)
Free Base

>  <CAS> (85)
900185-02-6

>  <URL> (85)
http://www.selleckchem.com/products/PIK-294.html

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Phenformin hydrochloride.cdx
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AMPK

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834-28-6

>  <URL> (86)
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$$$$
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 12  7  1  1  0  0  0
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>  <Mol_ID> (87)
851

>  <Formula> (87)
C21H22N6O3

>  <MolWeight> (87)
406.43778

>  <Cat> (87)
S2624

>  <Name> (87)
OSI-027

>  <Synonyms> (87)
N/A 

>  <Target> (87)
mTOR

>  <Form> (87)
Free Base

>  <CAS> (87)
936890-98-1

>  <URL> (87)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (88)
852

>  <Formula> (88)
C17H17N7

>  <MolWeight> (88)
319.36378

>  <Cat> (88)
S2622

>  <Name> (88)
PP-121

>  <Synonyms> (88)
N/A

>  <Target> (88)
DNA-PK, mTOR, PDGF

>  <Form> (88)
Free Base

>  <CAS> (88)
1092788-83-4

>  <URL> (88)
http://www.selleckchem.com/products/PP121.html

$$$$
Cortisone acetate.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (89)
859

>  <Formula> (89)
C23H30O6

>  <MolWeight> (89)
402.4807

>  <Cat> (89)
S2559

>  <Name> (89)
Cortisone acetate (Cortone)

>  <Synonyms> (89)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (89)
Glucocorticoid Receptor

>  <Form> (89)
Free Base

>  <CAS> (89)
18357

>  <URL> (89)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

$$$$
BKM-120.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (90)
862

>  <Formula> (90)
C18H21F3N6O2

>  <MolWeight> (90)
410.3935496

>  <Cat> (90)
S2247

>  <Name> (90)
BKM120 (NVP-BKM120)

>  <Synonyms> (90)
N/A 

>  <Target> (90)
PI3K

>  <Form> (90)
Free Base

>  <CAS> (90)
944396-07-0

>  <URL> (90)
http://www.selleckchem.com/products/BKM-120.html

$$$$
CCT128930.cdx
csChFnd80/01042313322D

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601514-19-6

>  <URL> (100)
http://www.selleckchem.com/products/TWS119.html

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Akt

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Free Base

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937174-76-0

>  <URL> (101)
http://www.selleckchem.com/products/GSK690693.html

$$$$
LIDEX-E (fluocinonide).cdx
csChFnd80/01042313322D

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Fluocinonide (Vanos)

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Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

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Glucocorticoid Receptor

>  <Form> (102)
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>  <CAS> (102)
356-12-7

>  <URL> (102)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

$$$$
Prednisolone acetate.cdx
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>  <Name> (103)
Prednisolone acetate (Omnipred)

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Glucocorticoid Receptor

>  <Form> (103)
Free Base

>  <CAS> (103)
52-21-1

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

$$$$
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csChFnd80/01042313322D

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1007207-67-1

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http://www.selleckchem.com/products/ch5132799.html

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1032754-93-0

>  <URL> (105)
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Free Base

>  <CAS> (106)
264218-23-7

>  <URL> (106)
http://www.selleckchem.com/products/sb-415286.html

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1224844-38-5

>  <URL> (107)
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22  7  1  6  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
 27 22  1  0  0  0  0
 25 28  1  1  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> (108)
954

>  <Formula> (108)
C22H27N5O4

>  <MolWeight> (108)
425.48088

>  <Cat> (108)
S2743

>  <Name> (108)
PF-04691502

>  <Synonyms> (108)
N/A

>  <Target> (108)
mTOR, PI3K, Akt

>  <Form> (108)
Free Base

>  <CAS> (108)
1013101-36-4 

>  <URL> (108)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Fluticasone propionate.cdx
csChFnd80/01042313322D

 36 39  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  2  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    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    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
    7.2704    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    7.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8248    4.8951    0.0000 C   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
   11.2143    6.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4268    6.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6350    6.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    8.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    8.1278    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    8.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    7.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    8.1253    0.0000 F   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
  7 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 16 27  1  6  0  0  0
 17 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
 29 32  2  0  0  0  0
 23 33  1  0  0  0  0
 23 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (109)
959

>  <Formula> (109)
C25H31F3O5S

>  <MolWeight> (109)
500.5708496

>  <Cat> (109)
S1992

>  <Name> (109)
Fluticasone propionate (Flonase, Veramyst)

>  <Synonyms> (109)
N/A 

>  <Target> (109)
Glucocorticoid Receptor

>  <Form> (109)
Free Base

>  <CAS> (109)
80474-14-2

>  <URL> (109)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

$$$$
Mometasone furoate.cdx
csChFnd80/01042313322D

 37 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  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
    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
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 Cl  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
   10.8248    3.5000    0.0000 C   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
    8.9395    7.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0271    6.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3395    7.1974    0.0000 Cl  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
   11.9119    6.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042    6.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5953    8.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3829    8.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3425    7.8198    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
 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
 23 29  2  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
M  END
>  <Mol_ID> (110)
964

>  <Formula> (110)
C27H30Cl2O6

>  <MolWeight> (110)
521.4295

>  <Cat> (110)
S1987

>  <Name> (110)
Mometasone furoate

>  <Synonyms> (110)
N/A

>  <Target> (110)
Glucocorticoid Receptor

>  <Form> (110)
Furoate

>  <CAS> (110)
83919-23-7

>  <URL> (110)
http://www.selleckchem.com/products/mometasone-furoate.html

$$$$
Bifonazole.cdx
csChFnd80/01042313322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    8.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    8.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    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  1  0  0  0  0
  7  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  9  1  0  0  0  0
  8 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  8  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (111)
972

>  <Formula> (111)
C22H18N2

>  <MolWeight> (111)
310.39172

>  <Cat> (111)
S1854

>  <Name> (111)
Bifonazole

>  <Synonyms> (111)
N/A

>  <Target> (111)
Antifection

>  <Form> (111)
Free Base

>  <CAS> (111)
60628-96-8

>  <URL> (111)
http://www.selleckchem.com/products/bifonazole.html

$$$$
Clobetasol propionate.cdx
csChFnd80/01042313322D

 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
    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
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    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
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   10.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (112)
984

>  <Formula> (112)
C25H32ClFO5

>  <MolWeight> (112)
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>  <Cat> (112)
S2584

>  <Name> (112)
Clobetasol propionate

>  <Synonyms> (112)
N/A

>  <Target> (112)
Glucocorticoid Receptor

>  <Form> (112)
Free Base

>  <CAS> (112)
25122-46-7

>  <URL> (112)
http://www.selleckchem.com/products/clobetasol-propionate.html

$$$$
Lonidamine.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (113)
985

>  <Formula> (113)
C15H10Cl2N2O2

>  <MolWeight> (113)
321.1581

>  <Cat> (113)
S2610

>  <Name> (113)
Lonidamine

>  <Synonyms> (113)
N/A

>  <Target> (113)
Others

>  <Form> (113)
Free Base

>  <CAS> (113)
50264-69-2

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

$$$$
Gimeracil.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (114)
1011

>  <Formula> (114)
C5H4ClNO2

>  <MolWeight> (114)
145.54376

>  <Cat> (114)
S2055

>  <Name> (114)
Gimeracil

>  <Synonyms> (114)
N/A

>  <Target> (114)
Dehydrogenase

>  <Form> (114)
Free Base

>  <CAS> (114)
103766-25-2

>  <URL> (114)
http://www.selleckchem.com/products/gimeracil.html

$$$$
ADX47273.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (115)
1027

>  <Formula> (115)
C20H17F2N3O2

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S2690

>  <Name> (115)
ADX-47273

>  <Synonyms> (115)
N/A 

>  <Target> (115)
GluR

>  <Form> (115)
Free Base

>  <CAS> (115)
851881-60-2

>  <URL> (115)
http://www.selleckchem.com/products/adx-47273.html

$$$$
AZD 6482.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (116)
1056

>  <Formula> (116)
C22H24N4O4

>  <MolWeight> (116)
408.45036

>  <Cat> (116)
S1462

>  <Name> (116)
AZD6482

>  <Synonyms> (116)
N/A 

>  <Target> (116)
PI3K

>  <Form> (116)
Free Base

>  <CAS> (116)
1173900-33-8

>  <URL> (116)
http://www.selleckchem.com/products/azd6482.html

$$$$
Tideglusib.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (117)
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GSK-3

>  <Form> (117)
Free Base

>  <CAS> (117)
865854-05-3 

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

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/01042313322D

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1094

>  <Formula> (118)
C28H37ClO7

>  <MolWeight> (118)
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>  <Cat> (118)
S3078

>  <Name> (118)
Beclomethasone dipropionate 

>  <Synonyms> (118)
Beclometasone dipropionate

>  <Target> (118)
Glucocorticoid Receptor

>  <Form> (118)
Free Base

>  <CAS> (118)
1327543

>  <URL> (118)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

$$$$
Pircetam.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (119)
1096

>  <Formula> (119)
C6H10N2O2

>  <MolWeight> (119)
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S3070

>  <Name> (119)
Piracetam

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N/A

>  <Target> (119)
GluR

>  <Form> (119)
Free Base

>  <CAS> (119)
7491-74-9

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

$$$$
VU 0364770.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (120)
1111

>  <Formula> (120)
C12H9ClN2O

>  <MolWeight> (120)
232.66566

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S2862

>  <Name> (120)
VU 0364770

>  <Synonyms> (120)
N/A

>  <Target> (120)
GluR

>  <Form> (120)
Free Base

>  <CAS> (120)
61350-00-3

>  <URL> (120)
http://www.selleckchem.com/products/vu-0364770.html

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (121)
1113

>  <Formula> (121)
C16H32Br2N2

>  <MolWeight> (121)
412.24668

>  <Cat> (121)
S2860

>  <Name> (121)
IEM 1754 dihydrobroMide

>  <Synonyms> (121)
N/A

>  <Target> (121)
5-HT Receptor

>  <Form> (121)
DihydrobroMide

>  <CAS> (121)
162831-31-4

>  <URL> (121)
http://www.selleckchem.com/products/iem-1754-dihydrobromide.html

$$$$
VU 0361737.cdx
csChFnd80/01042313322D

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C13H11ClN2O2

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VU 0361737

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>  <CAS> (122)
1161205-04-4

>  <URL> (122)
http://www.selleckchem.com/products/vu-0361737.html

$$$$
IOX2.cdx
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>  <Mol_ID> (123)
1153

>  <Formula> (123)
C19H16N2O5

>  <MolWeight> (123)
352.34074

>  <Cat> (123)
S2919

>  <Name> (123)
IOX2

>  <Synonyms> (123)
N/A

>  <Target> (123)
HIF

>  <Form> (123)
Free Base

>  <CAS> (123)
931398-72-0

>  <URL> (123)
http://www.selleckchem.com/products/iox2.html

$$$$
TDZD-8.cdx
csChFnd80/01042313322D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
1161

>  <Formula> (124)
C10H10N2O2S

>  <MolWeight> (124)
222.2636

>  <Cat> (124)
S2926

>  <Name> (124)
TDZD-8

>  <Synonyms> (124)
N/A

>  <Target> (124)
GSK-3

>  <Form> (124)
Free Base

>  <CAS> (124)
327036-89-5 

>  <URL> (124)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/01042313322D

 36 40  0  0  0  0  0  0  0  0999 V2000
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 27 33  1  0  0  0  0
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 27 35  2  0  0  0  0
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M  END
>  <Mol_ID> (125)
1216

>  <Formula> (125)
C24H30F2O6

>  <MolWeight> (125)
452.4882064

>  <Cat> (125)
S2470

>  <Name> (125)
Fluocinolone acetonide (Flucort-N)

>  <Synonyms> (125)
Flucort-N

>  <Target> (125)
Glucocorticoid Receptor

>  <Form> (125)
Free Base

>  <CAS> (125)
67-73-2

>  <URL> (125)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

$$$$
aicar.cdx
csChFnd80/01042313322D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (126)
1249

>  <Formula> (126)
C9H14N4O5

>  <MolWeight> (126)
258.23126

>  <Cat> (126)
S1802

>  <Name> (126)
AICAR (Acadesine)

>  <Synonyms> (126)
AICAR, AICA-riboside

>  <Target> (126)
AMPK

>  <Form> (126)
Free Base

>  <CAS> (126)
2627-69-2

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

$$$$
isovaleramide.cdx
csChFnd80/01042313322D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    0.0024    0.0000 N   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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  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (127)
1356

>  <Formula> (127)
C5H11NO

>  <MolWeight> (127)
101.14694

>  <Cat> (127)
S4116

>  <Name> (127)
Isovaleramide

>  <Synonyms> (127)
N/A

>  <Target> (127)
Dehydrogenase

>  <Form> (127)
Free Base

>  <CAS> (127)
541-46-8

>  <URL> (127)
http://www.selleckchem.com/products/isovaleramide.html

$$$$
flumethasone.cdx
csChFnd80/01042313322D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
1397

>  <Formula> (128)
C22H28F2O5

>  <MolWeight> (128)
410.4515264

>  <Cat> (128)
S4088

>  <Name> (128)
Flumethasone

>  <Synonyms> (128)
N/A

>  <Target> (128)
Glucocorticoid Receptor

>  <Form> (128)
Free Base

>  <CAS> (128)
2135-17-3

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

$$$$
Fluorometholone Acetate.cdx
csChFnd80/01042313322D

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  2 33  1  1  0  0  0
 10 34  1  1  0  0  0
M  END
>  <Mol_ID> (129)
1422

>  <Formula> (129)
C24H31FO5

>  <MolWeight> (129)
418.4983432

>  <Cat> (129)
S4228

>  <Name> (129)
Fluorometholone Acetate

>  <Synonyms> (129)
N/A

>  <Target> (129)
Glucocorticoid Receptor

>  <Form> (129)
Free Base

>  <CAS> (129)
694485

>  <URL> (129)
http://www.selleckchem.com/products/fluorometholone-acetate.html

$$$$
Latrepirdine.cdx
csChFnd80/01042313322D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (130)
1444

>  <Formula> (130)
C21H27Cl2N3

>  <MolWeight> (130)
392.36518

>  <Cat> (130)
S1245

>  <Name> (130)
Latrepirdine 2HCl

>  <Synonyms> (130)
Dimebolin

>  <Target> (130)
GluR

>  <Form> (130)
Dihydrochloride

>  <CAS> (130)
97657-92-6

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

$$$$
Daidzin.cdx
csChFnd80/01042313322D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
1447

>  <Formula> (131)
C21H20O9

>  <MolWeight> (131)
416.3781

>  <Cat> (131)
S2289

>  <Name> (131)
Daidzin

>  <Synonyms> (131)
N/A

>  <Target> (131)
Others

>  <Form> (131)
Free Base

>  <CAS> (131)
552-66-9

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

$$$$
untitled.cdx
csChFnd80/01042313322D

 23 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (132)
1451

>  <Formula> (132)
C13H16N6O4

>  <MolWeight> (132)
320.30394

>  <Cat> (132)
S1117

>  <Name> (132)
Triciribine

>  <Synonyms> (132)
N/A

>  <Target> (132)
Akt

>  <Form> (132)
Free Base

>  <CAS> (132)
35943-35-2

>  <URL> (132)
http://www.selleckchem.com/products/Triciribine.html

$$$$
METI-DERM (prednisolone).cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (133)
1462

>  <Formula> (133)
C21H28O5

>  <MolWeight> (133)
360.44402

>  <Cat> (133)
S1737

>  <Name> (133)
Prednisolone

>  <Synonyms> (133)
Decaprednil, Predonine

>  <Target> (133)
Glucocorticoid Receptor

>  <Form> (133)
Free Base

>  <CAS> (133)
50-24-8

>  <URL> (133)
http://www.selleckchem.com/products/Prednisolone(Hydroretrocortine).html

$$$$
Flufenamic acid.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (134)
1477

>  <Formula> (134)
C14H10F3NO2

>  <MolWeight> (134)
281.2299096

>  <Cat> (134)
S4268

>  <Name> (134)
Flufenamic acid

>  <Synonyms> (134)
N/A

>  <Target> (134)
COX

>  <Form> (134)
Free Base

>  <CAS> (134)
530-78-9

>  <URL> (134)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
Dicoumarol.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (135)
1507

>  <Formula> (135)
C19H12O6

>  <MolWeight> (135)
336.29498

>  <Cat> (135)
S4299

>  <Name> (135)
Dicoumarol

>  <Synonyms> (135)
Dicumarol

>  <Target> (135)
Others

>  <Form> (135)
Free Base

>  <CAS> (135)
66-76-2

>  <URL> (135)
http://www.selleckchem.com/products/dicoumarol.html

$$$$
Temsirolimus.cdx
csChFnd80/01042313322D

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 64 72  1  0  0  0  0
 72 73  1  6  0  0  0
M  END
>  <Mol_ID> (136)
1523

>  <Formula> (136)
C56H87NO16

>  <MolWeight> (136)
1030.28708

>  <Cat> (136)
S1044

>  <Name> (136)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (136)
N/A

>  <Target> (136)
mTOR

>  <Form> (136)
Free Base

>  <CAS> (136)
162635-04-3

>  <URL> (136)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
Gossypol-a ceticacid.cdx
csChFnd80/01042313322D

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1160    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1603    0.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3727    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5809    0.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3727    2.1608    0.0000 O   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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 26 27  1  0  0  0  0
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 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  END
>  <Mol_ID> (137)
1543

>  <Formula> (137)
C32H34O10

>  <MolWeight> (137)
578.60636

>  <Cat> (137)
S2303

>  <Name> (137)
gossypol-Acetic acid

>  <Synonyms> (137)
Pogosin, AT101

>  <Target> (137)
Dehydrogenase

>  <Form> (137)
Acetate

>  <CAS> (137)
12542-36-8

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

$$$$
Esomeprazole sodium.cdx
csChFnd80/01042313322D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    3.5921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    2.4595    0.0000 S   0  0  2  0  0  0  0  0  0  0  0  0
    9.0884    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4884    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0884    1.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1884    2.4553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5884    2.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2884    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5884    4.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1884    4.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4908    6.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2860    6.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  7  8  1  0  0  0  0
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  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (138)
1563

>  <Formula> (138)
C17H18N3NaO3S

>  <MolWeight> (138)
367.39789

>  <Cat> (138)
S2233

>  <Name> (138)
Esomeprazole sodium

>  <Synonyms> (138)
N/A

>  <Target> (138)
ATPase

>  <Form> (138)
Sodium salt

>  <CAS> (138)
161796-78-7

>  <URL> (138)
http://www.selleckchem.com/products/esomeprazole-sodium.html

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/01042313322D

 49 52  0  0  0  0  0  0  0  0999 V2000
    2.4165    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7450    4.6735    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
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   12.7793    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1248    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1248    6.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    5.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5497    6.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5497    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    8.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7579    8.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7579    5.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    9.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9166    8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7083    7.4412    0.0000 S   0  0  1  0  0  0  0  0  0  0  0  0
   12.5001    8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7083    6.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3538    9.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9844    9.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    7.5694    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.2844   11.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844   11.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1844    9.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1868   12.2429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7868   12.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5731    6.2454    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 11  1  6  0  0  0
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 30 25  1  0  0  0  0
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 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 30 34  1  0  0  0  0
 25 35  1  0  0  0  0
 36 35  1  6  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 39 40  1  0  0  0  0
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 40 43  1  0  0  0  0
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 46 41  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (139)
1564

>  <Formula> (139)
C34H36MgN6O6S2

>  <MolWeight> (139)
713.12124

>  <Cat> (139)
S1743

>  <Name> (139)
NEXIUM (esomeprazole magnesium)

>  <Synonyms> (139)
N/A

>  <Target> (139)
Proton Pump

>  <Form> (139)
Magnesium salt

>  <CAS> (139)
161973-10-0

>  <URL> (139)
http://www.selleckchem.com/products/nexium-esomeprazole-magnesium.html

$$$$
Danthron.cdx
csChFnd80/01042313322D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (140)
1579

>  <Formula> (140)
C14H8O4

>  <MolWeight> (140)
240.21092

>  <Cat> (140)
S4561

>  <Name> (140)
Danthron

>  <Synonyms> (140)
chrysazin, Antrapurol

>  <Target> (140)
Others

>  <Form> (140)
Free Base

>  <CAS> (140)
117-10-2

>  <URL> (140)
http://www.selleckchem.com/products/danthron.html

$$$$
S4716 Evans Blue.cdx
csChFnd80/01042313322D

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   23.0984    4.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.9840    3.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.8968    7.3036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 22 23  1  0  0  0  0
 57 58  1  0  0  0  0
 61 62  1  0  0  0  0
M  END
>  <Mol_ID> (141)
1682

>  <Formula> (141)
C34H24N6Na4O14S4

>  <MolWeight> (141)
960.80524

>  <Cat> (141)
S4716

>  <Name> (141)
Evans Blue

>  <Synonyms> (141)
Direct Blue 53

>  <Target> (141)
GluR

>  <Form> (141)
sodium salt

>  <CAS> (141)
314-13-6

>  <URL> (141)
http://www.selleckchem.com/products/evans-blue.html

$$$$
S4711 Esculetin.cdx
csChFnd80/01042313322D

 13 14  0  0  0  0  0  0  0  0999 V2000
    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
    2.4249    0.0000    0.0000 C   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (142)
1683

>  <Formula> (142)
C9H6O4

>  <MolWeight> (142)
178.14154

>  <Cat> (142)
S4711

>  <Name> (142)
Esculetin

>  <Synonyms> (142)
Cichorigenin|Aesculetin

>  <Target> (142)
Others

>  <Form> (142)
Free Base

>  <CAS> (142)
305-01-1

>  <URL> (142)
http://www.selleckchem.com/products/esculetin.html

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/01042313322D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (143)
1695

>  <Formula> (143)
C6H12O5

>  <MolWeight> (143)
164.15648

>  <Cat> (143)
S4701

>  <Name> (143)
2-Deoxy-D-glucose

>  <Synonyms> (143)
2-deoxyglucose, NSC 15193

>  <Target> (143)
Others

>  <Form> (143)
Free Base

>  <CAS> (143)
154-17-6

>  <URL> (143)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
S4752 Corticosterone.cdx
csChFnd80/01042313322D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8554    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  4 10  1  1  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  1  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  6  0  0  0
  5 26  1  6  0  0  0
  2 27  1  1  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (144)
1718

>  <Formula> (144)
C21H30O4

>  <MolWeight> (144)
346.4605

>  <Cat> (144)
S4752

>  <Name> (144)
Corticosterone

>  <Synonyms> (144)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (144)
Glucocorticoid Receptor

>  <Form> (144)
Free Base

>  <CAS> (144)
50-22-6

>  <URL> (144)
http://www.selleckchem.com/products/corticosterone.html

$$$$
S3617 (20S)-Protopanaxatriol.cdx
csChFnd80/01042313322D

 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
    9.4290    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060    6.0326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0387    7.3642    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7073    7.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4161    9.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0847    9.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7936   10.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (145)
1743

>  <Formula> (145)
C30H52O4

>  <MolWeight> (145)
476.73148

>  <Cat> (145)
S3617

>  <Name> (145)
(20S)-Protopanaxatriol

>  <Synonyms> (145)
g-PPT, 20(S)-APPT

>  <Target> (145)
GR,ER

>  <Form> (145)
free base

>  <CAS> (145)
34080-08-5

>  <URL> (145)
http://www.selleckchem.com/products/20s-protopanaxatriol.html

$$$$
S3652 3-Nitropropionic acid.cdx
csChFnd80/01042313322D

  8  7  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 C   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
    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  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  3  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  5  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
  2  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
M  END
>  <Mol_ID> (146)
1766

>  <Formula> (146)
C3H5NO4

>  <MolWeight> (146)
119.0761

>  <Cat> (146)
S3652

>  <Name> (146)
3-Nitropropionic acid

>  <Synonyms> (146)
¦Â-Nitropropionic Acid, 3-NP

>  <Target> (146)
mitochondrial respiratory Complex II succin

>  <Form> (146)
free base

>  <CAS> (146)
504-88-1

>  <URL> (146)
http://www.selleckchem.com/products/3-nitropropionic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/01042313322D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    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
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (147)
1863

>  <Formula> (147)
C6H13NO4

>  <MolWeight> (147)
163.17172

>  <Cat> (147)
S3839

>  <Name> (147)
1-Deoxynojirimycin

>  <Synonyms> (147)
duvoglustat, moranolin

>  <Target> (147)
¦Á-glucosidase

>  <Form> (147)
free base

>  <CAS> (147)
19130-96-2

>  <URL> (147)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/01042313322D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  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 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (148)
1880

>  <Formula> (148)
C17H26O4

>  <MolWeight> (148)
294.38594

>  <Cat> (148)
S3836

>  <Name> (148)
6-Gingerol

>  <Synonyms> (148)
CI-1011

>  <Target> (148)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (148)
free base

>  <CAS> (148)
23513-14-6

>  <URL> (148)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3930 Liquiritin.cdx
csChFnd80/01042313322D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6280    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    3.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408    4.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    4.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    3.5211    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2071    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    4.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    5.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4666    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4632    6.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    4.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    5.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8892    6.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0948    5.6125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0948    4.2114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3106    6.3145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3072    3.5114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5271    5.6121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3106    7.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5172    4.2100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3072    2.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7314    6.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7307    3.5095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5118    1.4150    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  1  0  0  0  0
  3  8  2  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 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  6  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  6  0  0  0
 23 26  1  0  0  0  0
 23 27  1  1  0  0  0
 24 28  1  1  0  0  0
 24 26  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (149)
1910

>  <Formula> (149)
C21H22O9

>  <MolWeight> (149)
418.39398

>  <Cat> (149)
S3930

>  <Name> (149)
Liquiritin

>  <Synonyms> (149)
Liquiritoside, Liquiritigenin-4'-O-glucoside

>  <Target> (149)
Others

>  <Form> (149)
free base

>  <CAS> (149)
551-15-5

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

$$$$
S3812 Monocrotaline.cdx
csChFnd80/01042313322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8705    1.8541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5374    2.2873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    2.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166    1.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290    3.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (150)
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C16H23NO6

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Monocrotaline

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Crotaline

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Others

>  <Form> (150)
free base

>  <CAS> (150)
315-22-0

>  <URL> (150)
http://www.selleckchem.com/products/monocrotaline.html

$$$$
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>  <Mol_ID> (151)
1954

>  <Formula> (151)
C20H24O11

>  <MolWeight> (151)
440.39796

>  <Cat> (151)
S3781

>  <Name> (151)
Ginkgolide C

>  <Synonyms> (151)
BN-52022

>  <Target> (151)
Others

>  <Form> (151)
free base

>  <CAS> (151)
15291-76-6

>  <URL> (151)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
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csChFnd80/01042313322D

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>  <Mol_ID> (152)
1980

>  <Formula> (152)
C35H28F3N5O2

>  <MolWeight> (152)
607.6243296

>  <Cat> (152)
S2827

>  <Name> (152)
Torin 1

>  <Synonyms> (152)
N/A 

>  <Target> (152)
mTOR

>  <Form> (152)
Free Base

>  <CAS> (152)
1222998-36-8

>  <URL> (152)
http://www.selleckchem.com/products/torin-1.html

$$$$
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csChFnd80/01042313322D

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>  <Mol_ID> (153)
1993

>  <Formula> (153)
C18H13Cl2N3O3S

>  <MolWeight> (153)
422.28512

>  <Cat> (153)
S8035

>  <Name> (153)
VU 0364439

>  <Synonyms> (153)
N/A

>  <Target> (153)
GluR

>  <Form> (153)
Free Base

>  <CAS> (153)
1246086-78-1

>  <URL> (153)
https://www.selleckchem.com/products/vu-0364439.html

$$$$
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M  END
>  <Mol_ID> (154)
1995

>  <Formula> (154)
C12H11NOS2

>  <MolWeight> (154)
249.35184

>  <Cat> (154)
S7153

>  <Name> (154)
10058-F4

>  <Synonyms> (154)
N/A

>  <Target> (154)
c-Myc

>  <Form> (154)
Free Base

>  <CAS> (154)
403811-55-2

>  <URL> (154)
https://www.selleckchem.com/products/10058-f4.html

$$$$
CGK 733.cdx
csChFnd80/01042313322D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (155)
2002

>  <Formula> (155)
C23H18Cl3FN4O3S

>  <MolWeight> (155)
555.8364232

>  <Cat> (155)
S7136

>  <Name> (155)
CGK 733

>  <Synonyms> (155)
N/A

>  <Target> (155)
ATM/ATR

>  <Form> (155)
Free Base

>  <CAS> (155)
905973-89-9

>  <URL> (155)
http://www.selleckchem.com/products/cgk-733.html

$$$$
AGI5198.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (156)
2021

>  <Formula> (156)
C27H31FN4O2

>  <MolWeight> (156)
462.5590432

>  <Cat> (156)
S7185

>  <Name> (156)
AGI-5198

>  <Synonyms> (156)
IDH-C35

>  <Target> (156)
Dehydrogenase

>  <Form> (156)
Free Base

>  <CAS> (156)
1355326-35-0

>  <URL> (156)
http://www.selleckchem.com/products/agi-5198.html

$$$$
S4774 Xanthurenic Acid.cdx
csChFnd80/01042313322D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (157)
2084

>  <Formula> (157)
C10H7NO4

>  <MolWeight> (157)
205.16688

>  <Cat> (157)
S4774

>  <Name> (157)
Xanthurenic Acid

>  <Synonyms> (157)
xanthurenate; 8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid

>  <Target> (157)
mGlu2,mGlu3

>  <Form> (157)
free base

>  <CAS> (157)
59-00-7

>  <URL> (157)
http://www.selleckchem.com/products/xanthurenic-acid.html

$$$$
S4775 Cortodoxone.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (158)
2085

>  <Formula> (158)
C21H30O4

>  <MolWeight> (158)
346.4605

>  <Cat> (158)
S4775

>  <Name> (158)
Cortodoxone

>  <Synonyms> (158)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (158)
Glucocorticoid Receptor

>  <Form> (158)
free base

>  <CAS> (158)
152-58-9

>  <URL> (158)
http://www.selleckchem.com/products/cortodoxone.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (159)
2186

>  <Formula> (159)
C32H40O8

>  <MolWeight> (159)
552.6552

>  <Cat> (159)
S3832

>  <Name> (159)
Euphorbiasteroid

>  <Synonyms> (159)
Euphorbia factor L1

>  <Target> (159)
Others

>  <Form> (159)
free base

>  <CAS> (159)
28649-59-4

>  <URL> (159)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/01042313322D

 33 36  0  0  0  0  0  0  0  0999 V2000
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   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (160)
2259

>  <Formula> (160)
C21H18O12

>  <MolWeight> (160)
462.36042

>  <Cat> (160)
S3810

>  <Name> (160)
Scutellarin

>  <Synonyms> (160)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (160)
Others

>  <Form> (160)
free base

>  <CAS> (160)
27740-01-8

>  <URL> (160)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (161)
2267

>  <Formula> (161)
C21H46NO4P

>  <MolWeight> (161)
407.568001

>  <Cat> (161)
S3056

>  <Name> (161)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (161)
N/A

>  <Target> (161)
Akt

>  <Form> (161)
Free Base

>  <CAS> (161)
58066-85-6

>  <URL> (161)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (162)
2272

>  <Formula> (162)
C17H15NO3

>  <MolWeight> (162)
281.3059

>  <Cat> (162)
S2893

>  <Name> (162)
NU7026

>  <Synonyms> (162)
N/A

>  <Target> (162)
DNA-PK

>  <Form> (162)
Free Base

>  <CAS> (162)
154447-35-5

>  <URL> (162)
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1372540-25-4

>  <URL> (164)
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>  <URL> (166)
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864070-44-0

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http://www.selleckchem.com/products/empagliflozin-bi10773.html

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mTOR

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1207360-89-1

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https://www.selleckchem.com/products/gdc-0349.html

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956958-53-5

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http://www.selleckchem.com/products/XL147.html

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372196-77-5

>  <URL> (171)
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    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  2 20  1  0  0  0  0
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  8 23  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (172)
2355

>  <Formula> (172)
C25H52NO4P

>  <MolWeight> (172)
461.658441

>  <Cat> (172)
S1037

>  <Name> (172)
Perifosine (KRX-0401)

>  <Synonyms> (172)
NSC639966

>  <Target> (172)
Akt

>  <Form> (172)
Free Base

>  <CAS> (172)
157716-52-4

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

$$$$
D-glutamine.cdx
csChFnd80/01042313322D

 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
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  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> (173)
2358

>  <Formula> (173)
C5H10N2O3

>  <MolWeight> (173)
146.1445

>  <Cat> (173)
S1893

>  <Name> (173)
D-glutamine

>  <Synonyms> (173)
N/A

>  <Target> (173)
GluR

>  <Form> (173)
Free Base

>  <CAS> (173)
5959-95-5

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

$$$$
bms-707035.cdx
csChFnd80/01042313322D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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
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 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
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  1 17  1  0  0  0  0
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 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (174)
2367

>  <Formula> (174)
C18H11N3O2S

>  <MolWeight> (174)
333.36384

>  <Cat> (174)
S1360

>  <Name> (174)
GSK1059615

>  <Synonyms> (174)
N/A

>  <Target> (174)
PI3K, mTOR

>  <Form> (174)
Free Base

>  <CAS> (174)
958852-01-2

>  <URL> (174)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/01042313322D

 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
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    9.4248    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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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
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  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> (175)
2391

>  <Formula> (175)
C24H30O6

>  <MolWeight> (175)
414.4914

>  <Cat> (175)
S1707

>  <Name> (175)
Eplerenone

>  <Synonyms> (175)
Inspra

>  <Target> (175)
Glucocorticoid Receptor

>  <Form> (175)
Free Base

>  <CAS> (175)
107724-20-9

>  <URL> (175)
http://www.selleckchem.com/products/Eplerenone(Inspra).html

$$$$
(-)-Huperzine A.cdx
csChFnd80/01042313322D

 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
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    2.3266    7.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0637    3.6331    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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  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
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 10 11  2  0  0  0  0
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 10  5  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18  9  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (176)
2404

>  <Formula> (176)
C15H18N2O

>  <MolWeight> (176)
242.31622

>  <Cat> (176)
S2251

>  <Name> (176)
(-)-Huperzine A (HupA)

>  <Synonyms> (176)
N/A

>  <Target> (176)
AChR & GluR

>  <Form> (176)
Free Base

>  <CAS> (176)
102518-79-6

>  <URL> (176)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

$$$$
ly404039.cdx
csChFnd80/01042313322D

 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
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2412

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C7H9NO6S

>  <MolWeight> (177)
235.21446

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S6001

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LY2140023 (LY404039)

>  <Synonyms> (177)
N/A 

>  <Target> (177)
GluR

>  <Form> (177)
Free Base

>  <CAS> (177)
635318-11-5

>  <URL> (177)
http://www.selleckchem.com/products/LY2140023(LY404039).html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (178)
2424

>  <Formula> (178)
C25H19NO3S

>  <MolWeight> (178)
413.48826

>  <Cat> (178)
S2638

>  <Name> (178)
NU7441(KU-57788)

>  <Synonyms> (178)
N/A 

>  <Target> (178)
DNA-PK, PI3K

>  <Form> (178)
Free Base

>  <CAS> (178)
503468-95-9 

>  <URL> (178)
http://www.selleckchem.com/products/nu7441.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/01042313322D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (179)
2432

>  <Formula> (179)
C23H14Na2O11

>  <MolWeight> (179)
512.3302

>  <Cat> (179)
S1911

>  <Name> (179)
Disodium Cromoglycate

>  <Synonyms> (179)
Gynazole

>  <Target> (179)
Calcium Channel

>  <Form> (179)
Disodium Salt

>  <CAS> (179)
15826-37-6

>  <URL> (179)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

$$$$
AZD8186.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (180)
2479

>  <Formula> (180)
C24H25F2N3O4

>  <MolWeight> (180)
457.4698064

>  <Cat> (180)
S7694

>  <Name> (180)
AZD8186

>  <Synonyms> (180)
N/A

>  <Target> (180)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (180)
Free Base

>  <CAS> (180)
1627494-13-6

>  <URL> (180)
http://www.selleckchem.com/products/azd8186.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (181)
2494

>  <Formula> (181)
C5H6Na2O5

>  <MolWeight> (181)
192.07768

>  <Cat> (181)
S7873

>  <Name> (181)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (181)
N/A

>  <Target> (181)
Others

>  <Form> (181)
disodium salt

>  <CAS> (181)
103404-90-6

>  <URL> (181)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

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717824-30-1

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2519

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N/A

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Akt

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Free Base

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612847-09-3

>  <URL> (186)
http://www.selleck.cn/products/akti-1-2.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/01042313322D

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BIO-acetoxime

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N/A

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GSK-3

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Free Base

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667463-85-6

>  <URL> (187)
http://www.selleck.cn/products/bio-acetoxime.html

$$$$
AMG319.cdx
csChFnd80/01042313322D

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PI3K

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Free Base

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1608125-21-8

>  <URL> (188)
http://www.selleckchem.com/products/amg319.html

$$$$
S3753 L-Leucine.cdx
csChFnd80/01042313322D

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2549

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L-Leucine

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(S)-Leucine, Leu

>  <Target> (189)
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free base

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61-90-5

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

$$$$
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csChFnd80/01042313322D

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667463-62-9

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486424-20-8

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1159824-67-5

>  <URL> (194)
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>  <Mol_ID> (195)
2611

>  <Formula> (195)
C23H22FN3O4S

>  <MolWeight> (195)
455.5018832

>  <Cat> (195)
S7035

>  <Name> (195)
XL388

>  <Synonyms> (195)
N/A

>  <Target> (195)
mTOR

>  <Form> (195)
Free Base

>  <CAS> (195)
1251156-08-7

>  <URL> (195)
http://www.selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/01042313322D

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>  <Mol_ID> (196)
2613

>  <Formula> (196)
C24H27Cl2N5O

>  <MolWeight> (196)
472.41008

>  <Cat> (196)
S7306

>  <Name> (196)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (196)
BML-275,Compound C

>  <Target> (196)
AMPK

>  <Form> (196)
Dihydrochloride

>  <CAS> (196)
1219168-18-9

>  <URL> (196)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
WZ4003.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (197)
2696

>  <Formula> (197)
C25H29ClN6O3

>  <MolWeight> (197)
496.98916

>  <Cat> (197)
S7317

>  <Name> (197)
WZ4003

>  <Synonyms> (197)
N/A

>  <Target> (197)
AMPK

>  <Form> (197)
Free Base

>  <CAS> (197)
1214265-58-3

>  <URL> (197)
http://www.selleckchem.com/products/wz4003.html

$$$$
AZ20.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (198)
2706

>  <Formula> (198)
C21H24N4O3S

>  <MolWeight> (198)
412.50526

>  <Cat> (198)
S7050

>  <Name> (198)
AZ20

>  <Synonyms> (198)
N/A

>  <Target> (198)
ATM/ATR

>  <Form> (198)
Free Base

>  <CAS> (198)
1233339-22-4

>  <URL> (198)
http://www.selleckchem.com/products/az20.html

$$$$
VE-822.cdx
csChFnd80/01042313322D

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1232416-25-9

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487021-52-3

>  <URL> (200)
http://www.selleckchem.com/products/ar-a014418.html

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2737

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N/A

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GSK-3

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Free Base

>  <CAS> (201)
676596-65-9

>  <URL> (201)
http://www.selleckchem.com/products/1-azakenpaullone.html

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1432660-47-3

>  <URL> (202)
http://www.selleckchem.com/products/agi-6780.html

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csChFnd80/01042313322D

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252017-04-2

>  <URL> (203)
http://www.selleckchem.com/products/azd7545.html

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DMOG

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Dimethyloxalylglycine

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Hydroxylase

>  <Form> (204)
Free Base

>  <CAS> (204)
89464-63-1

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

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Others

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Free Base

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4382-63-2

>  <URL> (205)
http://www.selleckchem.com/products/pfk15.html

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csChFnd80/01042313322D

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C21H18N4O4S

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HS-173

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N/A

>  <Target> (206)
PI3K

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Free Base

>  <CAS> (206)
1276110-06-5

>  <URL> (206)
http://www.selleckchem.com/products/hs-173.html

$$$$
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C26H26F3N7O2

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BAY 87-2243

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N/A

>  <Target> (207)
HIF

>  <Form> (207)
Free Base

>  <CAS> (207)
1227158-85-1

>  <URL> (207)
http://www.selleckchem.com/products/bay-87-2243.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/01042313322D

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345630-40-2

>  <URL> (208)
http://www.selleckchem.com/products/sf1670.html

$$$$
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1129669-05-1

>  <URL> (209)
http://www.selleckchem.com/products/im-12.html

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PI3K

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Free Base

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1246560-33-7

>  <URL> (210)
http://www.selleckchem.com/products/vs-5584-sb2343.html

$$$$
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2894

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C18H28ClN3O5S

>  <MolWeight> (211)
433.95002

>  <Cat> (211)
S4430

>  <Name> (211)
Hydroxychloroquine Sulfate

>  <Synonyms> (211)
N/A

>  <Target> (211)
Autophagy

>  <Form> (211)
Sulfate

>  <CAS> (211)
747-36-4

>  <URL> (211)
http://www.selleckchem.com/products/hydroxychloroquine-sulfate.html

$$$$
PX-478 2HCl.cdx
csChFnd80/01042313322D

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2910

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C13H20Cl4N2O3

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>  <Name> (212)
PX-478 2HCl

>  <Synonyms> (212)
N/A

>  <Target> (212)
HIF

>  <Form> (212)
Dihydrochlorid

>  <CAS> (212)
685898-44-6

>  <URL> (212)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
AT13148.cdx
csChFnd80/01042313322D

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Akt

>  <Form> (213)
Free Base

>  <CAS> (213)
1056901-62-2

>  <URL> (213)
http://www.selleckchem.com/products/at13148.html

$$$$
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csChFnd80/01042313322D

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955977-50-1

>  <URL> (214)
http://www.selleckchem.com/products/pi-3065.html

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603288-22-8

>  <URL> (216)
http://www.selleckchem.com/products/ly2090314.html

$$$$
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1047644-62-1

>  <URL> (217)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
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Pilaralisib (XL147)

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PI3K

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Free Base

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934526-89-3

>  <URL> (222)
http://www.selleckchem.com/products/pilaralisib-xl147.html

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HTH-01-015.cdx
csChFnd80/01042313322D

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3013

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C26H28N8O

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S7318

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HTH-01-015

>  <Synonyms> (223)
N/A

>  <Target> (223)
AMPK

>  <Form> (223)
Free Base

>  <CAS> (223)
1613724-42-7

>  <URL> (223)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
BPTES.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (224)
3018

>  <Formula> (224)
C24H24N6O2S3

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524.68136

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S7753

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BPTES

>  <Synonyms> (224)
N/A

>  <Target> (224)
Glutaminase

>  <Form> (224)
Free Base

>  <CAS> (224)
314045-39-1

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

$$$$
Dorsomorphin.cdx
csChFnd80/01042313322D

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C24H25N5O

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>  <Target> (225)
AMPK

>  <Form> (225)
Free Base

>  <CAS> (225)
866405-64-3

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

$$$$
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csChFnd80/01042313322D

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1018899-04-1

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1802088-50-1

>  <URL> (231)
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459147-39-8

>  <URL> (232)
http://www.selleckchem.com/products/sw033291.html

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934493-76-2

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3070

>  <Formula> (235)
C7H12N2S2

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>  <Name> (235)
PX-12

>  <Synonyms> (235)
N/A

>  <Target> (235)
Thioredoxin

>  <Form> (235)
Free Base

>  <CAS> (235)
141400-58-0

>  <URL> (235)
http://www.selleckchem.com/products/px-12.html

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/01042313322D

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C13H14N8O2

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Molidustat(BAY 85-3934)

>  <Synonyms> (236)
N/A

>  <Target> (236)
HIF

>  <Form> (236)
Free Base

>  <CAS> (236)
1154028-82-6

>  <URL> (236)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/01042313322D

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>  <Mol_ID> (237)
3088

>  <Formula> (237)
C19H27N3O6

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>  <Cat> (237)
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>  <Name> (237)
Daprodustat (GSK1278863)

>  <Synonyms> (237)
N/A

>  <Target> (237)
HIF

>  <Form> (237)
Free Base

>  <CAS> (237)
960539-70-2

>  <URL> (237)
http://www.selleckchem.com/products/daprodustat.html

$$$$
CC-223.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (238)
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>  <Formula> (238)
C21H27N5O3

>  <MolWeight> (238)
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CC-223

>  <Synonyms> (238)
N/A

>  <Target> (238)
mTOR

>  <Form> (238)
Free Base

>  <CAS> (238)
1228013-30-6

>  <URL> (238)
http://www.selleckchem.com/products/cc-223.html

$$$$
AZD3965.cdx
csChFnd80/01042313322D

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>  <Name> (239)
AZD3965

>  <Synonyms> (239)
N/A

>  <Target> (239)
Others

>  <Form> (239)
Free Base

>  <CAS> (239)
1448671-31-5

>  <URL> (239)
http://www.selleckchem.com/products/azd3965.html

$$$$
GSK2141795.cdx
csChFnd80/01042313322D

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PIK-III

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VPS34-IN2

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Autophagy

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Free Base

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1383716-40-2

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http://www.selleckchem.com/products/pik-iii.html

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ETC-1002.cdx
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ETC-1002

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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> (245)
http://www.selleckchem.com/products/etc-1002.html

$$$$
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AG-221 (Enasidenib)

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N/A

>  <Target> (246)
Dehydrogenase

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Free Base

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1446502-11-9

>  <URL> (246)
http://www.selleckchem.com/products/ag-221-enasidenib.html

$$$$
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csChFnd80/01042313322D

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4-methylpyrazole, Antizol, Antizol-Vet

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5-alpha Reductase

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Free Base

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7554-65-6

>  <URL> (247)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

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LY3023414

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GTPL8918

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Akt

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1386874-06-1

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M  END
>  <Mol_ID> (249)
3208

>  <Formula> (249)
C19H18F5N5O5S

>  <MolWeight> (249)
523.433736

>  <Cat> (249)
S8173

>  <Name> (249)
Verubecestat (MK-8931) Trifluoroacetat

>  <Synonyms> (249)
MK-8931

>  <Target> (249)
BACE

>  <Form> (249)
Trifluoroacetat

>  <CAS> (249)
1286770-55-5(free base)

>  <URL> (249)
http://www.selleckchem.com/products/verubecestat-mk-8931.html

$$$$
VO-Ohpic.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (250)
3217

>  <Formula> (250)
C12H15N2O11V

>  <MolWeight> (250)
414.1958

>  <Cat> (250)
S8174

>  <Name> (250)
VO-Ohpic trihydrate

>  <Synonyms> (250)
N/A

>  <Target> (250)
Others

>  <Form> (250)
trihydrate

>  <CAS> (250)
476310-60-8

>  <URL> (250)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
Shikonin.cdx
csChFnd80/01042313322D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (251)
3224

>  <Formula> (251)
C16H16O5

>  <MolWeight> (251)
288.29524

>  <Cat> (251)
S8279

>  <Name> (251)
Shikonin

>  <Synonyms> (251)
N/A

>  <Target> (251)
Others

>  <Form> (251)
Free Base

>  <CAS> (251)
517-89-5

>  <URL> (251)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/01042313322D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (252)
3227

>  <Formula> (252)
C22H31N9O3

>  <MolWeight> (252)
469.54004

>  <Cat> (252)
S7966

>  <Name> (252)
AZD8835

>  <Synonyms> (252)
N/A

>  <Target> (252)
PI3K

>  <Form> (252)
Free Base

>  <CAS> (252)
1620576-64-8

>  <URL> (252)
http://www.selleckchem.com/products/azd8835.html

$$$$
Deguelin.cdx
csChFnd80/01042313322D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (253)
3241

>  <Formula> (253)
C23H22O6

>  <MolWeight> (253)
394.41718

>  <Cat> (253)
S8132

>  <Name> (253)
Deguelin

>  <Synonyms> (253)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (253)
Akt

>  <Form> (253)
Free Base

>  <CAS> (253)
522-17-8

>  <URL> (253)
http://www.selleckchem.com/products/deguelin.html

$$$$
S4702 Sarcosine.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (254)
3243

>  <Formula> (254)
C3H7NO2

>  <MolWeight> (254)
89.09318

>  <Cat> (254)
S4702

>  <Name> (254)
Sarcosine

>  <Synonyms> (254)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (254)
NMDAR

>  <Form> (254)
Free Base

>  <CAS> (254)
107-97-1

>  <URL> (254)
http://www.selleckchem.com/products/sarcosine.html

$$$$
ML390.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (255)
3255

>  <Formula> (255)
C21H21F3N2O3

>  <MolWeight> (255)
406.3982496

>  <Cat> (255)
S8382

>  <Name> (255)
ML390

>  <Synonyms> (255)
N/A

>  <Target> (255)
Dehydrogenase

>  <Form> (255)
Free Base

>  <URL> (255)
http://www.selleckchem.com/products/ml390.html

$$$$
GDC-0084.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (256)
3278

>  <Formula> (256)
C18H22N8O2

>  <MolWeight> (256)
382.41968

>  <Cat> (256)
S8163

>  <Name> (256)
GDC-0084

>  <Synonyms> (256)
N/A

>  <Target> (256)
PI3K

>  <Form> (256)
Free Base

>  <CAS> (256)
1382979-44-3

>  <URL> (256)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (257)
3285

>  <Formula> (257)
C16H16N8O

>  <MolWeight> (257)
336.35124

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S7891

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CC-115

>  <Synonyms> (257)
N/A

>  <Target> (257)
DNA-PK

>  <Form> (257)
Free Base

>  <CAS> (257)
1228013-15-7

>  <URL> (257)
http://www.selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (258)
3286

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C22H29N5O4S

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N/A

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mTOR

>  <Form> (258)
Free Base

>  <CAS> (258)
1429639-50-8

>  <URL> (258)
http://www.selleckchem.com/products/cz415.html

$$$$
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1532533-67-7

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>  <Mol_ID> (268)
3385

>  <Formula> (268)
C24H18N2O3S

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LTURM34

>  <Synonyms> (268)
N/A

>  <Target> (268)
DNA-PK

>  <Form> (268)
free base

>  <CAS> (268)
1879887-96-3

>  <URL> (268)
http://www.selleckchem.com/products/lturm34.html

$$$$
Verubecestat (MK-8931).cdx
csChFnd80/01042313322D

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>  <Mol_ID> (269)
3387

>  <Formula> (269)
C17H17F2N5O3S

>  <MolWeight> (269)
409.4103864

>  <Cat> (269)
S8564

>  <Name> (269)
Verubecestat (MK-8931)

>  <Synonyms> (269)
N/A

>  <Target> (269)
BACE2 ,BACE1

>  <Form> (269)
free base

>  <CAS> (269)
1286770-55-5

>  <URL> (269)
http://www.selleckchem.com/products/verubecestat.html

$$$$
GDC-0326.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (270)
3393

>  <Formula> (270)
C19H22N6O3

>  <MolWeight> (270)
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>  <Cat> (270)
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>  <Name> (270)
GDC-0326

>  <Synonyms> (270)
N/A

>  <Target> (270)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (270)
free base

>  <CAS> (270)
1282514-88-8

>  <URL> (270)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
3BDO.cdx
csChFnd80/01042313322D

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>  <Mol_ID> (271)
3401

>  <Formula> (271)
C18H17NO5

>  <MolWeight> (271)
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>  <Cat> (271)
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3BDO

>  <Synonyms> (271)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (271)
FKBP1A

>  <Form> (271)
free base

>  <CAS> (271)
890405-51-3

>  <URL> (271)
http://www.selleckchem.com/products/3bdo.html

$$$$
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C19H17NO5S

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SF2523

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N/A

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DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

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free base

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1174428-47-7

>  <URL> (272)
http://www.selleckchem.com/products/sf2523.html

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csChFnd80/01042313322D

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3407

>  <Formula> (273)
C30H24N8O2

>  <MolWeight> (273)
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S8330

>  <Name> (273)
IPI-549

>  <Synonyms> (273)
N/A

>  <Target> (273)
PI3K¦Ã

>  <CAS> (273)
1693758-51-8

>  <URL> (273)
http://www.selleckchem.com/products/ipi-549.html

$$$$
Tofogliflozin(CSG 452).cdx
csChFnd80/01042313322D

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3417

>  <Formula> (274)
C22H28O7

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>  <Cat> (274)
S8558

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Tofogliflozin(CSG 452)

>  <Synonyms> (274)
N/A

>  <Target> (274)
hSGLT2

>  <Form> (274)
hydrate 

>  <CAS> (274)
1201913-82-7

>  <URL> (274)
http://www.selleckchem.com/products/tofogliflozin-csg-452.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/01042313322D

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3419

>  <Formula> (275)
C19H17N5O3

>  <MolWeight> (275)
363.36998

>  <Cat> (275)
S8581

>  <Name> (275)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (275)
N/A

>  <Target> (275)
PI3K¦Á 

>  <Form> (275)
Free base

>  <CAS> (275)
1268454-23-4

>  <URL> (275)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/01042313322D

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>  <Formula> (276)
C2HCl2NaO2

>  <MolWeight> (276)
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>  <Cat> (276)
S8615

>  <Name> (276)
Sodium dichloroacetate (DCA)

>  <Synonyms> (276)
bichloroacetic acid, BCA

>  <Target> (276)
PDK

>  <Form> (276)
sodium salt

>  <CAS> (276)
2156-56-1

>  <URL> (276)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
Autophinib.cdx
csChFnd80/01042313322D

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autophagy

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free base

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1644443-47-9

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

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free base

>  <CAS> (278)
934593-90-5

>  <URL> (278)
http://www.selleckchem.com/products/lw-6.html

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IDH1,IDH2 

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1644545-52-7

>  <URL> (279)
http://www.selleckchem.com/products/ag-881.html

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>  <CAS> (280)
1916571-90-8

>  <URL> (280)
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M  END
>  <Mol_ID> (281)
3435

>  <Formula> (281)
C21H21FO5S

>  <MolWeight> (281)
404.4518432

>  <Cat> (281)
S8637

>  <Name> (281)
Ipragliflozin (ASP1941)

>  <Synonyms> (281)
N/A

>  <Target> (281)
SGLT2 

>  <Form> (281)
free base

>  <CAS> (281)
761423-87-4

>  <URL> (281)
http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
PF-06409577.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (282)
3448

>  <Formula> (282)
C19H16ClNO3

>  <MolWeight> (282)
341.78824

>  <Cat> (282)
S8335

>  <Name> (282)
PF-06409577

>  <Synonyms> (282)
N/A

>  <Target> (282)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (282)
free base

>  <CAS> (282)
1467057-23-3

>  <URL> (282)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (283)
3451

>  <Formula> (283)
C18H19NO2S2

>  <MolWeight> (283)
345.47896

>  <Cat> (283)
S8616

>  <Name> (283)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (283)
N/A

>  <Target> (283)
PKM2

>  <Form> (283)
free base

>  <CAS> (283)
94164-88-2

>  <URL> (283)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
3PO.cdx
csChFnd80/01042313322D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (284)
3481

>  <Formula> (284)
C13H10N2O

>  <MolWeight> (284)
210.2313

>  <Cat> (284)
S7639

>  <Name> (284)
3PO

>  <Synonyms> (284)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (284)
PFKFB3

>  <Form> (284)
free base

>  <CAS> (284)
18550-98-6

>  <URL> (284)
http://www.selleckchem.com/products/3po.html

$$$$
S5146 3-Methylpyrazole.cdx
csChFnd80/01042313322D

  6  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (285)
3482

>  <Formula> (285)
C4H6N2

>  <MolWeight> (285)
82.10384

>  <Cat> (285)
S5146

>  <Name> (285)
3-Methylpyrazole

>  <Synonyms> (285)
3-MP

>  <Target> (285)
Others

>  <Form> (285)
free base

>  <CAS> (285)
1453-58-3

>  <URL> (285)
http://www.selleckchem.com/products/3-methylpyrazole.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (286)
3635

>  <Formula> (286)
C23H18FN5O2

>  <MolWeight> (286)
415.4197232

>  <Cat> (286)
S8672

>  <Name> (286)
Tenalisib (RP6530)

>  <Synonyms> (286)
N/A

>  <Target> (286)
PI3K

>  <Form> (286)
free base

>  <CAS> (286)
1639417-53-0

>  <URL> (286)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
S5097 Methotrexate disodium.cdx
csChFnd80/01042313322D

 35 35  0  0  0  0  0  0  0  0999 V2000
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    8.5075    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5075    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2933    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    0.0227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    0.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    2.1181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6518    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    2.8115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    0.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4297    4.2201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  2  0  0  0  0
  3 12  1  0  0  0  0
 13 14  1  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 19  1  0  0  0  0
 14 19  2  0  0  0  0
 13 20  2  0  0  0  0
 21 22  1  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 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 24 33  2  0  0  0  0
 28 33  1  0  0  0  0
 27 34  1  0  0  0  0
 25 35  1  0  0  0  0
 23 30  1  0  0  0  0
 21 23  1  0  0  0  0
 17 21  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (287)
3655

>  <Formula> (287)
C20H20N8Na2O5

>  <MolWeight> (287)
498.40294

>  <Cat> (287)
S5097

>  <Name> (287)
Methotrexate disodium

>  <Synonyms> (287)
N/A

>  <Target> (287)
DHFR,Dehydrogenase

>  <Form> (287)
disodium salt

>  <CAS> (287)
7413-34-5

>  <URL> (287)
http://selleckchem.com/products/methotrexate-disodium.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/01042313322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  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
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (288)
3689

>  <Formula> (288)
C10H16N5O8P

>  <MolWeight> (288)
365.236501

>  <Cat> (288)
S5284

>  <Name> (288)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (288)
5'-Adenylic acid, 5'-AMP

>  <Target> (288)
AMPK

>  <Form> (288)
hydrate 

>  <CAS> (288)
18422-05-4

>  <URL> (288)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/01042313322D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   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
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    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    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  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  2  0  0  0  0
 12 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
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (289)
3710

>  <Formula> (289)
C18H16N2O

>  <MolWeight> (289)
276.33244

>  <Cat> (289)
S5313

>  <Name> (289)
SC66

>  <Synonyms> (289)
N/A

>  <Target> (289)
Akt

>  <Form> (289)
free base

>  <CAS> (289)
871361-88-5

>  <URL> (289)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/01042313322D

 35 39  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    4.8497    4.9000    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
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    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
   13.3368    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
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 N   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
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5486    6.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7465    4.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1451    5.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3839    2.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    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
    1.2124    4.2000    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  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
  4 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
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 13 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  2  0  0  0  0
 23 30  1  0  0  0  0
 11 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 11  1  0  0  0  0
M  END
>  <Mol_ID> (290)
3716

>  <Formula> (290)
C27H32FN5O2

>  <MolWeight> (290)
477.5736832

>  <Cat> (290)
S8680

>  <Name> (290)
AZD1390

>  <Synonyms> (290)
N/A

>  <Target> (290)
ATM/ATR

>  <Form> (290)
free base

>  <CAS> (290)
2089288-03-7

>  <URL> (290)
http://selleckchem.com/products/azd1390.html

$$$$
bpV (HOpic).cdx
csChFnd80/01042313322D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.5013    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    1.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    1.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    1.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9261    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7137    3.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2576    1.3197    0.0000 V   0  1  0  0  0  0  0  0  0  0  0  0
   18.0805    2.4523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.2576    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    4.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5740    1.2170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2973    0.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.8603    0.0561    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.6374    1.5568    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.5711    0.8351    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7222   22.7687    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   22.7687    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (291)
3768

>  <Formula> (291)
C6H4K2NO8V

>  <MolWeight> (291)
347.23596

>  <Cat> (291)
S8651

>  <Name> (291)
bpV (HOpic)

>  <Synonyms> (291)
Bisperoxovanadium(HOpic)

>  <Target> (291)
PTEN

>  <Form> (291)
potassium 

>  <CAS> (291)
722494-26-0

>  <URL> (291)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/01042313322D

 26 29  0  0  0  0  0  0  0  0999 V2000
    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  2  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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6326    0.0000 C   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
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.5000    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
 10 19  1  6  0  0  0
 12 20  1  1  0  0  0
  9 21  1  1  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
 24 25  1  4  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (292)
3776

>  <Formula> (292)
C21H28O2

>  <MolWeight> (292)
312.44582

>  <Cat> (292)
S3792

>  <Name> (292)
Guggulsterone E&Z

>  <Synonyms> (292)
N/A

>  <Target> (292)
FXR

>  <Form> (292)
free base

>  <CAS> (292)
95975-55-6

>  <URL> (292)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/01042313322D

 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
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.3124    0.0000 O   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    1.4000    0.0000 C   0  0  1  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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    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  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (293)
3793

>  <Formula> (293)
C3H8NO6P

>  <MolWeight> (293)
185.072481

>  <Cat> (293)
S5137

>  <Name> (293)
O-Phospho-L-serine

>  <Synonyms> (293)
Dexfosfoserine

>  <Target> (293)
GluR

>  <Form> (293)
free base

>  <CAS> (293)
407-41-0

>  <URL> (293)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5325 Nitisinone.cdx
csChFnd80/01042313322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    3.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.5125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1869    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7869    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.4126    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2748    6.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.1126    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (294)
3797

>  <Formula> (294)
C14H10F3NO5

>  <MolWeight> (294)
329.2281096

>  <Cat> (294)
S5325

>  <Name> (294)
Nitisinone

>  <Synonyms> (294)
N/A

>  <Target> (294)
Others

>  <Form> (294)
free base

>  <CAS> (294)
104206-65-7

>  <URL> (294)
http://selleckchem.com/products/nitisinone.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/01042313322D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    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
    9.6995    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
   10.9119    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
   12.1244    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
   13.3368    2.8000    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
   14.5492    2.1000    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
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   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
    4.8497    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
    7.2746    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
    9.6995    0.7000    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 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 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (295)
3832

>  <Formula> (295)
C22H42O2

>  <MolWeight> (295)
338.56768

>  <Cat> (295)
S5383

>  <Name> (295)
Erucic acid

>  <Synonyms> (295)
cis-13-docosenoic acid

>  <Target> (295)
Others

>  <Form> (295)
free base

>  <CAS> (295)
112-86-7

>  <URL> (295)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5425 Phenylglyoxal hydrate.cdx
csChFnd80/01042313322D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4254    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    1.4009    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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (296)
3843

>  <Formula> (296)
C8H8O3

>  <MolWeight> (296)
152.14732

>  <Cat> (296)
S5425

>  <Name> (296)
Phenylglyoxal hydrate

>  <Synonyms> (296)
1-Phenylethanedione hydrate

>  <Target> (296)
Dehydrogenase

>  <Form> (296)
free base

>  <CAS> (296)
1075-06-5

>  <URL> (296)
http://selleckchem.com/products/phenylglyoxal-hydrate.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/01042313322D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   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
    0.0000    1.4000    0.0000 Br  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
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (297)
3844

>  <Formula> (297)
C3H3BrO3

>  <MolWeight> (297)
166.95812

>  <Cat> (297)
S5426

>  <Name> (297)
Bromopyruvic acid

>  <Synonyms> (297)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (297)
Others

>  <Form> (297)
free base

>  <CAS> (297)
1113-59-3

>  <URL> (297)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/01042313322D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    4.1879    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  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
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 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (298)
3865

>  <Formula> (298)
C20H20O4

>  <MolWeight> (298)
324.3704

>  <Cat> (298)
S5456

>  <Name> (298)
Isobavachalcone

>  <Synonyms> (298)
Corylifolinin

>  <Target> (298)
Anti-infection

>  <Form> (298)
free base

>  <CAS> (298)
20784-50-3

>  <URL> (298)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5486 Fluorometholone.cdx
csChFnd80/01042313322D

 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
    7.2951    5.6068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6512    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    3.5034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6108    6.0499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2951    4.2068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8681    5.6068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4270    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    6.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    1.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3987    4.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6108    3.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171    3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0328    7.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    2.8068    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9614    6.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512    4.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2951    7.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512    6.3102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3836    7.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2951    2.8068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    4.9102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  9  1  1  0  0  0  0
  1 23  1  1  0  0  0
  5  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 19  1  6  0  0  0
  3 10  1  0  0  0  0
  6  3  1  0  0  0  0
  3 24  1  1  0  0  0
  7  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
  7  5  1  0  0  0  0
  5 29  1  1  0  0  0
  5 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  6  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
  7 28  1  6  0  0  0
 10  8  1  0  0  0  0
  8 25  1  1  0  0  0
 16  9  2  0  0  0  0
 11 13  1  0  0  0  0
 18 12  1  0  0  0  0
 13 26  1  6  0  0  0
 14 15  1  0  0  0  0
 18 16  1  0  0  0  0
 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> (299)
3883

>  <Formula> (299)
C22H29FO4

>  <MolWeight> (299)
376.4616632

>  <Cat> (299)
S5486

>  <Name> (299)
Fluorometholone

>  <Synonyms> (299)
Oxylone

>  <Target> (299)
Glucocorticoid Receptor

>  <Form> (299)
free base

>  <CAS> (299)
426-13-1

>  <URL> (299)
http://selleckchem.com/products/fluorometholone.html

$$$$
S5518 D-Glucose 6-phosphate disodium salt.cdx
csChFnd80/01042313322D

 18 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  1  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
    6.0622    1.4000    0.0000 C   0  0  1  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
    3.6373    0.0000    0.0000 O   0  0  0  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 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   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
    9.6995    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.3995    0.8876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2032    2.8015    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.7657    0.8327    0.0000 Na  0  3  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
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (300)
3892

>  <Formula> (300)
C6H11Na2O9P

>  <MolWeight> (300)
304.099441

>  <Cat> (300)
S5518

>  <Name> (300)
D-Glucose 6-phosphate disodium salt

>  <Synonyms> (300)
N/A

>  <Target> (300)
Others

>  <Form> (300)
disodium salt

>  <CAS> (300)
3671-99-6

>  <URL> (300)
http://selleckchem.com/products/d-glucose-6-phosphate-disodium-salt.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/01042313322D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  3  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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   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
    0.0000    1.4000    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  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (301)
3907

>  <Formula> (301)
C3H7NO3

>  <MolWeight> (301)
105.09258

>  <Cat> (301)
S5545

>  <Name> (301)
DL-Serine

>  <Synonyms> (301)
N/A

>  <Target> (301)
PKM

>  <CAS> (301)
302-84-1

>  <URL> (301)
http://selleckchem.com/products/dl-serine.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/01042313322D

 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
    1.2145    5.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0593    2.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    4.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    6.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0524    6.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    4.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    7.6873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9034    5.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1150    4.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    5.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    6.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    7.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    6.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5398    7.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7522    6.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9647    7.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5451    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7532    1.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  2  0  0  0  0
  4 10  1  6  0  0  0
 22 23  1  0  0  0  0
  1  6  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  5 11  1  1  0  0  0
 22 25  1  0  0  0  0
  2  3  1  0  0  0  0
 25 26  1  0  0  0  0
 11 12  2  0  0  0  0
 26 27  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  4  5  1  0  0  0  0
 13 14  2  0  0  0  0
  5  6  1  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
  3  7  1  1  0  0  0
 13 17  1  0  0  0  0
  1  2  1  0  0  0  0
 14 18  1  0  0  0  0
  1  8  1  1  0  0  0
  8 28  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  2  9  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  6  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (302)
3919

>  <Formula> (302)
C24H35ClO9

>  <MolWeight> (302)
502.9823

>  <Cat> (302)
S5566

>  <Name> (302)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (302)
N/A

>  <Target> (302)
SGLT

>  <Form> (302)
monohydrate

>  <CAS> (302)
960404-48-2

>  <URL> (302)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S5360 Diflorasone.cdx
csChFnd80/01042313322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    6.1213    3.5071    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8527    4.2274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2178    4.1821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1213    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929    3.5388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8527    5.6231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8527    2.8319    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2178    5.5912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5181    3.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    1.3775    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6929    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559    4.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6474    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0442    6.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929    6.3570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5815    6.0127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2178    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4108    4.8210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9615    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740    1.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370    3.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9577    7.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819    6.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    4.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    2.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3168    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470    8.3596    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
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  1 30  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
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  3  9  1  0  0  0  0
  3 31  1  6  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
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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
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 16 22  1  0  0  0  0
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 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> (303)
3977

>  <Formula> (303)
C22H28F2O5

>  <MolWeight> (303)
410.4515264

>  <Cat> (303)
S5360

>  <Name> (303)
Diflorasone

>  <Synonyms> (303)
N/A

>  <Target> (303)
Glucocorticoid receptor

>  <Form> (303)
free base

>  <CAS> (303)
2557-49-5

>  <URL> (303)
http://selleckchem.com/products/.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/01042313322D

 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
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   10.3138    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7369    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3708    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0  0  0  0
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 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> (304)
3987

>  <Formula> (304)
C22H25ClO7

>  <MolWeight> (304)
436.8827

>  <Cat> (304)
S5413

>  <Name> (304)
Ertugliflozin

>  <Synonyms> (304)
PF-04971729?

>  <Target> (304)
SGLT2

>  <Form> (304)
free base

>  <CAS> (304)
1210344-57-2

>  <URL> (304)
http://selleckchem.com/products/.html

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/01042313322D

 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
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    8.0163    6.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4330    9.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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  5  9  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 27 28  1  0  0  0  0
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 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (305)
4004

>  <Formula> (305)
C23H32O6

>  <MolWeight> (305)
404.49658

>  <Cat> (305)
S5501

>  <Name> (305)
Hydrocortisone acetate

>  <Synonyms> (305)
Hydrocortisone 21-acetate

>  <Target> (305)
Glucocorticoid receptor

>  <Form> (305)
free base

>  <CAS> (305)
18325

>  <URL> (305)
http://selleckchem.com/products/.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/01042313322D

 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
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 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> (306)
4062

>  <Formula> (306)
C15H24N2O2

>  <MolWeight> (306)
264.36326

>  <Cat> (306)
S9384

>  <Name> (306)
Sophocarpine Monohydrate

>  <Form> (306)
free base

>  <CAS> (306)
 145572-44-7

$$$$

csChFnd80/01042313322D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 17 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (307)
4177

>  <Formula> (307)
C17H16N4O2S2

>  <MolWeight> (307)
372.46454

>  <Cat> (307)
S7302

>  <Name> (307)
TEPP-46 (ML265, CID-44246499, NCGC00186528)

>  <Synonyms> (307)
N/A

>  <Target> (307)
PKM

>  <Form> (307)
Free Base

>  <CAS> (307)
1221186-53-3

>  <URL> (307)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/01042313322D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 33 12  1  0  0  0  0
 30 34  1  0  0  0  0
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M  END
>  <Mol_ID> (308)
4184

>  <Formula> (308)
C23H14ClF3N6O

>  <MolWeight> (308)
482.8450696

>  <Cat> (308)
S8560

>  <Name> (308)
Seletalisib (UCB-5857)

>  <Synonyms> (308)
N/A

>  <Target> (308)
PI3K

>  <Form> (308)
Free Base

>  <CAS> (308)
1362850-20-1

>  <URL> (308)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/01042313322D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (309)
4188

>  <Formula> (309)
C24H18ClN3O3

>  <MolWeight> (309)
431.87102

>  <Cat> (309)
S8654

>  <Name> (309)
ex229 (compound 991)

>  <Synonyms> (309)
N/A

>  <Target> (309)
AMPK

>  <Form> (309)
Free Base

>  <CAS> (309)
1219739-36-2

>  <URL> (309)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/01042313322D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 19  7  1  0  0  0  0
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 14 25  1  0  0  0  0
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M  END
>  <Mol_ID> (310)
4198

>  <Formula> (310)
C17H20F3N7O2

>  <MolWeight> (310)
411.3816096

>  <Cat> (310)
S8738

>  <Name> (310)
Bimiralisib (PQR309)

>  <Synonyms> (310)
N/A

>  <Target> (310)
PI3K

>  <Form> (310)
Free Base

>  <CAS> (310)
1225037-39-7

>  <URL> (310)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/01042313322D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (311)
4204

>  <Formula> (311)
C21H25F3N6O2

>  <MolWeight> (311)
450.4574096

>  <Cat> (311)
S8752

>  <Name> (311)
leniolisib(CDZ 173)

>  <Synonyms> (311)
N/A

>  <Target> (311)
PI3K

>  <Form> (311)
Free Base

>  <CAS> (311)
1354690-24-6

>  <URL> (311)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/01042313322D

 36 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (312)
4211

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C26H23FN8O

>  <MolWeight> (312)
482.5122232

>  <Cat> (312)
S8764

>  <Name> (312)
IITZ-01

>  <Synonyms> (312)
N/A

>  <Target> (312)
Autophagy

>  <Form> (312)
Free Base

>  <CAS> (312)
1807988-47-1

>  <URL> (312)
http://www.selleckchem.com/products/iitz-01.html

$$$$

csChFnd80/01042313322D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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
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M  END
>  <Mol_ID> (313)
4213

>  <Formula> (313)
C23H32N2O2

>  <MolWeight> (313)
368.51238

>  <Cat> (313)
S8771

>  <Name> (313)
IDF-11774

>  <Synonyms> (313)
N/A

>  <Target> (313)
HIF

>  <Form> (313)
Free Base

>  <CAS> (313)
1429054-28-3

>  <URL> (313)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/01042313322D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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4290

>  <Formula> (314)
C16H12O7

>  <MolWeight> (314)
316.26228

>  <Cat> (314)
S9111

>  <Name> (314)
Isorhamnetin

>  <Form> (314)
free base

>  <CAS> (314)
480-19-3

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/01042313322D

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M  END
>  <Mol_ID> (315)
4293

>  <Formula> (315)
C44H70O16

>  <MolWeight> (315)
855.017

>  <Cat> (315)
S9114

>  <Name> (315)
Polyphyllin I

>  <Form> (315)
free base

>  <CAS> (315)
50773-41-6

$$$$
S9172 Phellodendrine.cdx
csChFnd80/01042313322D

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 13  6  1  0  0  0  0
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 12  7  2  0  0  0  0
 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (316)
4337

>  <Formula> (316)
C20H24NO4+

>  <MolWeight> (316)
342.40886

>  <Cat> (316)
S9172

>  <Name> (316)
Phellodendrine

>  <Form> (316)
free base

>  <CAS> (316)
6873-13-8

$$$$
S9190 Oroxin B.cdx
csChFnd80/01042313322D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (317)
4352

>  <Formula> (317)
C27H30O15

>  <MolWeight> (317)
594.5181

>  <Cat> (317)
S9190

>  <Name> (317)
Oroxin B

>  <Form> (317)
free base

>  <CAS> (317)
114482-86-9

$$$$

csChFnd80/01042313322D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 14 19  2  0  0  0  0
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M  END
>  <Mol_ID> (318)
4372

>  <Formula> (318)
C16H11N3O2

>  <MolWeight> (318)
277.27744

>  <Cat> (318)
S2009

>  <Name> (318)
Indirubin-3'-monoxime

>  <Synonyms> (318)
Indirubin-3'-oxime

>  <Target> (318)
CDK

>  <Form> (318)
Free Base

>  <CAS> (318)
160807-49-8

>  <URL> (318)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/01042313322D

  6  5  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (319)
4667

>  <Formula> (319)
C3H7NO2

>  <MolWeight> (319)
89.09318

>  <Cat> (319)
S5526

>  <Name> (319)
¦Â-Alanine

>  <Synonyms> (319)
beta-Alanine, 3-Aminopropanoic acid

>  <Target> (319)
Others

>  <Form> (319)
Free Base

>  <CAS> (319)
107-95-9

>  <URL> (319)
http://www.selleckchem.com/products/beta-alanine.html

$$$$

csChFnd80/01042313322D

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  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  6 15  1  1  0  0  0
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  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
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  3 29  1  6  0  0  0
M  END
>  <Mol_ID> (320)
4686

>  <Formula> (320)
C22H29FO4

>  <MolWeight> (320)
376.4616632

>  <Cat> (320)
S5685

>  <Name> (320)
Desoximetasone

>  <Synonyms> (320)
Desoxymethasone, Desoximetasonum

>  <Target> (320)
Glucocorticoid Recep

>  <Form> (320)
Free Base

>  <CAS> (320)
382-67-2

>  <URL> (320)
http://www.selleckchem.com/products/desoximetasone.html

$$$$

csChFnd80/01042313322D

 44 42  0  0  0  0  0  0  0  0999 V2000
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   10.9119    7.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1334    1.4000    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
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  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
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 26 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
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 40 43  2  0  0  0  0
 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (321)
4714

>  <Formula> (321)
C26H52N6O11S

>  <MolWeight> (321)
656.78968

>  <Cat> (321)
S5742

>  <Name> (321)
Deferoxamine mesylate

>  <Synonyms> (321)
desferrioxamine B

>  <Target> (321)
Others

>  <Form> (321)
mesylate

>  <CAS> (321)
138-14-7

>  <URL> (321)
http://www.selleckchem.com/products/deferoxamine-mesylate.html

$$$$

csChFnd80/01042313322D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
 11  5  1  1  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 12  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  6  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  1  0  0  0
 18 24  1  1  0  0  0
 18 22  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  6  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (322)
4719

>  <Formula> (322)
C21H24O9

>  <MolWeight> (322)
420.40986

>  <Cat> (322)
S5748

>  <Name> (322)
4¡ä-Deoxyphlorizin

>  <Synonyms> (322)
N/A

>  <Target> (322)
Others

>  <Form> (322)
Free Base

>  <CAS> (322)
4319-68-0

>  <URL> (322)
http://www.selleckchem.com/products/4-deoxyphlorizin.html

$$$$

csChFnd80/01042313322D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    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
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  4  5  1  0  0  0  0
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  1  9  1  0  0  0  0
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  3 11  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
 13 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 17 21  2  0  0  0  0
 16 18  2  0  0  0  0
 12 19  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (323)
4758

>  <Formula> (323)
C15H11Cl2NO3

>  <MolWeight> (323)
324.15874

>  <Cat> (323)
S5800

>  <Name> (323)
Alda 1

>  <Synonyms> (323)
N/A

>  <Target> (323)
Dehydrogenase

>  <Form> (323)
Free Base

>  <CAS> (323)
349438-38-6

>  <URL> (323)
http://www.selleckchem.com/products/alda-1.html

$$$$

csChFnd80/01042313322D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (324)
4770

>  <Formula> (324)
C12H17N3O3S

>  <MolWeight> (324)
283.34668

>  <Cat> (324)
S5814

>  <Name> (324)
cariporide

>  <Synonyms> (324)
N/A

>  <Target> (324)
Sodium Channel

>  <Form> (324)
Free Base

>  <CAS> (324)
159138-80-4

>  <URL> (324)
http://www.selleckchem.com/products/cariporide.html

$$$$

csChFnd80/01042313322D

 30 34  0  0  0  0  0  0  0  0999 V2000
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   11.9523    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8901    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1648    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  4 11  2  0  0  0  0
 12 13  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 15 23  1  0  0  0  0
 18 23  2  0  0  0  0
 14 22  1  0  0  0  0
 12 14  1  0  0  0  0
  2 12  1  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 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
  3 24  1  0  0  0  0
  7 30  1  0  0  0  0
M  END
>  <Mol_ID> (325)
4774

>  <Formula> (325)
C21H16FN7O

>  <MolWeight> (325)
401.3964432

>  <Cat> (325)
S5818

>  <Name> (325)
acalisib (GS-9820)

>  <Synonyms> (325)
CAL-120

>  <Target> (325)
PI3K

>  <Form> (325)
Free Base

>  <CAS> (325)
870281-34-8

>  <URL> (325)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/01042313322D

 33 37  0  0  0  0  0  0  0  0999 V2000
   17.4509    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0509    3.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509    3.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9476    4.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.0575    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2444    5.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8444    5.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0245    4.4939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6881    6.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0184    6.7591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4813    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    6.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4738    7.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    4.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    4.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489    7.0131    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  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
 22 23  2  0  0  0  0
 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> (326)
4796

>  <Formula> (326)
C27H19ClN2O3

>  <MolWeight> (326)
454.90436

>  <Cat> (326)
S8803

>  <Name> (326)
MK-3903

>  <Synonyms> (326)
N/A

>  <Target> (326)
AMPK

>  <Form> (326)
Free Base

>  <CAS> (326)
1219737-12-8

>  <URL> (326)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/01042313322D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   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
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (327)
4900

>  <Formula> (327)
C10H10O2

>  <MolWeight> (327)
162.1852

>  <Cat> (327)
S6221

>  <Name> (327)
Methyl cinnamate

>  <Synonyms> (327)
N/A

>  <Target> (327)
Others

>  <Form> (327)
free base

>  <CAS> (327)
103-26-4

>  <URL> (327)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/01042313322D

  7  5  0  0  0  0  0  0  0  0999 V2000
    4.8476    1.3796    0.0000 Na  0  3  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    1.4000    0.0000 C   0  0  1  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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
M  END
>  <Mol_ID> (328)
4909

>  <Formula> (328)
C3H5NaO3

>  <MolWeight> (328)
112.05977

>  <Cat> (328)
S6010

>  <Name> (328)
Sodium L-lactate

>  <Synonyms> (328)
N/A

>  <Target> (328)
Others

>  <Form> (328)
free base

>  <CAS> (328)
867-56-1

>  <URL> (328)
http://www.selleck.cn/products/sodium-l-lactate.html

$$$$

csChFnd80/01042313322D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4243    3.4998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4243    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6380    4.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2138    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    3.4998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.1998    0.0000 O   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
  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
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  6  0  0  0
  7  9  1  0  0  0  0
  9 12  1  6  0  0  0
M  END
>  <Mol_ID> (329)
4920

>  <Formula> (329)
C6H12O6

>  <MolWeight> (329)
180.15588

>  <Cat> (329)
S6028

>  <Name> (329)
¦Á-D-Glucose anhydrous

>  <Synonyms> (329)
N/A

>  <Target> (329)
Others

>  <Form> (329)
free base

>  <CAS> (329)
492-62-6

>  <URL> (329)
http://www.selleck.cn/products/a-d-glucose-anhydrous.html

$$$$

csChFnd80/01042313322D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   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
    6.0622    1.4000    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
    0.0000    2.1000    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
  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
M  END
>  <Mol_ID> (330)
5012

>  <Formula> (330)
C5H8O3

>  <MolWeight> (330)
116.11522

>  <Cat> (330)
S6243

>  <Name> (330)
Ethyl pyruvate

>  <Synonyms> (330)
CTI-01

>  <Target> (330)
Immunology & Inflamm

>  <Form> (330)
free base

>  <CAS> (330)
617-35-6

>  <URL> (330)
http://www.selleck.cn/products/ethyl-pyruvate.html

$$$$

csChFnd80/01042313322D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4231    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0445    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071    0.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2570    2.0067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0445    4.1268    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  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (331)
5020

>  <Formula> (331)
C9H10O2

>  <MolWeight> (331)
150.1745

>  <Cat> (331)
S6254

>  <Name> (331)
Hydrocinnamic acid

>  <Synonyms> (331)
3-phenylpropionic acid, Benzylacetic acid

>  <Target> (331)
Others

>  <Form> (331)
free base

>  <CAS> (331)
501-52-0

>  <URL> (331)
http://www.selleck.cn/products/hydrocinnamic-acid.html

$$$$

csChFnd80/01042313322D

 46 48  0  0  0  0  0  0  0  0999 V2000
   11.8972   13.2740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3458   14.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5631   12.8494    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0286   12.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7309   14.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6296   15.7830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4371   13.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211   11.5234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1533   13.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (332)
5086

>  <Formula> (332)
C21H27N7Na2O14P2

>  <MolWeight> (332)
709.404642

>  <Cat> (332)
S6349

>  <Name> (332)
NADH, disodium salt hydrate

>  <Synonyms> (332)
N/A

>  <Target> (332)
Others

>  <Form> (332)
hydrate

>  <CAS> (332)
606-68-8

>  <URL> (332)
http://www.selleck.cn/products/nadh-disodium-salt-hydrate.html

$$$$

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M  END
>  <Mol_ID> (333)
5095

>  <Formula> (333)
C42H45ClN8O7S

>  <MolWeight> (333)
841.3741

>  <Cat> (333)
S8762

>  <Name> (333)
dBET6

>  <Synonyms> (333)
N/A

>  <Target> (333)
Epigenetic Reader Do

>  <Form> (333)
free base

>  <CAS> (333)
1950634-92-0

>  <URL> (333)
http://www.selleck.cn/products/dbet6.html

$$$$

csChFnd80/01042313322D

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M  END
>  <Mol_ID> (334)
5097

>  <Formula> (334)
C25H26N8O2S2

>  <MolWeight> (334)
534.65634

>  <Cat> (334)
S8778

>  <Name> (334)
UPGL00004

>  <Synonyms> (334)
N/A

>  <Target> (334)
Glutaminase

>  <Form> (334)
free base

>  <CAS> (334)
1890169-95-5

>  <URL> (334)
http://www.selleck.cn/products/upgl00004.html

$$$$

csChFnd80/01042313322D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4515    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4515    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3013    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0888    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5137    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7261    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9386    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1510    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3634    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1510    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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
  2 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  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
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
>  <Mol_ID> (335)
5100

>  <Formula> (335)
C18H11F3N2O

>  <MolWeight> (335)
328.2879496

>  <Cat> (335)
S8807

>  <Name> (335)
PFK158

>  <Synonyms> (335)
N/A

>  <Target> (335)
Autophagy

>  <Form> (335)
free base

>  <CAS> (335)
1462249-75-7

>  <URL> (335)
http://www.selleck.cn/products/pfk158.html

$$$$

csChFnd80/01042313322D

 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> (336)
5133

>  <Formula> (336)
C5H9NO4

>  <MolWeight> (336)
147.12926

>  <Cat> (336)
S6266

>  <Name> (336)
(S)-Glutamic acid

>  <Synonyms> (336)
L-Glutamic acid

>  <Target> (336)
GluR

>  <Form> (336)
free base

>  <CAS> (336)
56-86-0

>  <URL> (336)
http://www.selleck.cn/products/s-glutamic-acid.html

$$$$

csChFnd80/01042313322D

 23 19  0  0  0  0  0  0  0  0999 V2000
   10.2673    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6300    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0549    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4798    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2673    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6300    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8425    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6922    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4176    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8425    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9047    1.4000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.2052    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1171    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.8860    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8854    3.3652    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  2  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  1  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (337)
5136

>  <Formula> (337)
C6H11Na3O12P2

>  <MolWeight> (337)
406.061172

>  <Cat> (337)
S6290

>  <Name> (337)
D-Fructose-1,6-diphosphate trisodium salt octahydrate

>  <Synonyms> (337)
FBP trisodium salt octahydrate

>  <Target> (337)
Others

>  <Form> (337)
trisodium salt octahydrate

>  <CAS> (337)
38099-82-0

>  <URL> (337)
http://www.selleck.cn/products/d-fructose-1-6-diphosphate-trisodium-salt-octahydrate.html

$$$$

csChFnd80/01042313322D

 29 31  0  0  0  0  0  0  0  0999 V2000
   15.4000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5001    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8001    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4002    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7001    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7002    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3002    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3002    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2002    2.4248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  6  1  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  7  1  0  0  0  0
  5  6  2  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
  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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  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
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 29 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (338)
5170

>  <Formula> (338)
C24H29N3O2

>  <MolWeight> (338)
391.50596

>  <Cat> (338)
S2799

>  <Name> (338)
Daporinad (FK866, APO866)

>  <Synonyms> (338)
N/A

>  <Target> (338)
Transferase

>  <Form> (338)
Free Base

>  <CAS> (338)
658084-64-1

>  <URL> (338)
http://www.selleck.cn/products/apo866-fk866.html

$$$$

csChFnd80/01042313322D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8361    6.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    8.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453   11.1717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371   10.4741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8870   11.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8868   12.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  2  1  0  0  0  0
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 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
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 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
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 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
 19 27  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
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 27 22  1  0  0  0  0
 23 30  1  0  0  0  0
 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (339)
5212

>  <Formula> (339)
C23H26N6O2

>  <MolWeight> (339)
418.49154

>  <Cat> (339)
S6414

>  <Name> (339)
Apilimod

>  <Synonyms> (339)
STA-5326

>  <Target> (339)
PI3K

>  <Form> (339)
Free Base

>  <CAS> (339)
541550-19-0

>  <URL> (339)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/01042313322D

 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
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    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
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N/A

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Glutaminase

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Free Base

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1025015-40-0

>  <URL> (340)
http://www.selleck.cn/products/gk921.html

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C17H19N3O2S

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S6438

>  <Name> (341)
Ufiprazole

>  <Synonyms> (341)
Omeprazole sulfide

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Others

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Free Base

>  <CAS> (341)
73590-85-9

>  <URL> (341)
http://www.selleck.cn/products/ufiprazole.html

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5251

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C10H13N3O5S

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287.29232

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S6459

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Nifurtimox

>  <Synonyms> (342)
BAY-2502

>  <Target> (342)
Anti-infection

>  <Form> (342)
Free Base

>  <CAS> (342)
23256-30-6

>  <URL> (342)
http://www.selleck.cn/products/nifurtimox.html

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>  <Synonyms> (343)
N/A

>  <Target> (343)
Liver X Receptor

>  <Form> (343)
Free Base

>  <CAS> (343)
1613028-81-1

>  <URL> (343)
http://www.selleck.cn/products/sr9243.html

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Free Base

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724440-27-1

>  <URL> (344)
http://www.selleck.cn/products/bay-8002.html

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>  <Formula> (345)
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>  <MolWeight> (345)
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>  <Cat> (345)
S6503

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LX2343

>  <Synonyms> (345)
N/A

>  <Target> (345)
BACE

>  <Form> (345)
free base

>  <CAS> (345)
333745-53-2

>  <URL> (345)
http://www.selleck.cn/products/lx2343.html

$$$$

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M  END
>  <Mol_ID> (346)
6547

>  <Formula> (346)
C16H15N3O2

>  <MolWeight> (346)
281.3092

>  <Cat> (346)
S6506

>  <Name> (346)
Compound 401

>  <Synonyms> (346)
N/A

>  <Target> (346)
DNA-PK

>  <Form> (346)
free base

>  <CAS> (346)
168425-64-7

>  <URL> (346)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/01042313322D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (347)
6549

>  <Formula> (347)
C24H26N4O3S

>  <MolWeight> (347)
450.55324

>  <Cat> (347)
S6508

>  <Name> (347)
Mitapivat

>  <Synonyms> (347)
AG-348

>  <Target> (347)
PKM

>  <Form> (347)
free base

>  <CAS> (347)
1260075-17-9

>  <URL> (347)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/01042313322D

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6555

>  <Formula> (348)
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>  <Cat> (348)
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>  <Name> (348)
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>  <Synonyms> (348)
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>  <Target> (348)
PI3K

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free base

>  <CAS> (348)
1032754-81-6

>  <URL> (348)
http://www.selleck.cn/products/gne-477.html

$$$$

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>  <MolWeight> (350)
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S6571

>  <Name> (350)
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>  <Target> (350)
PI4K

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free base

>  <CAS> (350)
1513879-21-4

>  <URL> (350)
http://www.selleck.cn/products/bqr695.html

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N/A

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free base

>  <CAS> (351)
1513879-19-0

>  <URL> (351)
http://www.selleck.cn/products/kdu691.html

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1472624-85-3

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http://www.selleck.cn/products/7acc2.html

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C16H17N3O2

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N/A

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Free Base

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38136-70-8

>  <URL> (354)
http://www.selleck.cn/products/brevianamide-f.html

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>  <Cat> (355)
S8839

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N/A

>  <Target> (355)
Akt

>  <Form> (355)
Free Base

>  <CAS> (355)
1800070-77-2

>  <URL> (355)
http://www.selleck.cn/products/borussertib.html

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csChFnd80/01042313322D

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>  <CAS> (356)
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>  <URL> (356)
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M  END
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>  <MolWeight> (357)
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EN6

>  <Synonyms> (357)
N/A

>  <Target> (357)
Autophagy

>  <Form> (357)
Free Base

>  <CAS> (357)
1808714-73-9

>  <URL> (357)
http://www.selleck.cn/products/en6.html

$$$$

csChFnd80/01042313322D

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M  END
>  <Mol_ID> (358)
6793

>  <Formula> (358)
C23H21N5O

>  <MolWeight> (358)
383.44574

>  <Cat> (358)
S8500

>  <Name> (358)
BAY1125976

>  <Synonyms> (358)
N/A

>  <Target> (358)
Akt

>  <Form> (358)
Free Base

>  <CAS> (358)
1402608-02-9

>  <URL> (358)
http://www.selleck.cn/products/bay1125976.html

$$$$

csChFnd80/01042313322D

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6803

>  <Formula> (359)
C33H40O18

>  <MolWeight> (359)
724.6599

>  <Cat> (359)
S9096

>  <Name> (359)
ligustroflavone

>  <Synonyms> (359)
Nuezhenoside

>  <Target> (359)
AMPK

>  <Form> (359)
Free Base

>  <CAS> (359)
260413-62-5

>  <URL> (359)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/01042313322D

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M  END
>  <Mol_ID> (360)
6804

>  <Formula> (360)
C42H66O14

>  <MolWeight> (360)
794.96504

>  <Cat> (360)
S9116

>  <Name> (360)
Chikusetsusaponin Iva

>  <Synonyms> (360)
Calenduloside F

>  <Target> (360)
Immunology & Inflammation related

>  <Form> (360)
Free Base

>  <CAS> (360)
51415-02-2

>  <URL> (360)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/01042313322D

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M  END
>  <Mol_ID> (361)
6854

>  <Formula> (361)
C46H51F3N6O8S2

>  <MolWeight> (361)
937.0577496

>  <Cat> (361)
S8953

>  <Name> (361)
ASP4132

>  <Synonyms> (361)
N/A

>  <Target> (361)
AMPK

>  <Form> (361)
Free Base

>  <CAS> (361)
1640294-30-9

>  <URL> (361)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/01042313322D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (362)
6855

>  <Formula> (362)
C26H23N5O2

>  <MolWeight> (362)
437.49312

>  <Cat> (362)
S8961

>  <Name> (362)
Alobresib (GS-5829)

>  <Synonyms> (362)
N/A

>  <Target> (362)
Epigenetic Reader Do

>  <Form> (362)
Free Base

>  <CAS> (362)
1637771-14-2

>  <URL> (362)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/01042313322D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (363)
6915

>  <Formula> (363)
C19H18N4O4

>  <MolWeight> (363)
366.37062

>  <Cat> (363)
S0103

>  <Name> (363)
ML327

>  <Synonyms> (363)
N/A

>  <Target> (363)
c-Myc

>  <Form> (363)
Free Base

>  <CAS> (363)
1883510-31-3

>  <URL> (363)
http://www.selleckchem.com/products/ml327.html

$$$$

csChFnd80/01042313322D

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M  END
>  <Mol_ID> (364)
6916

>  <Formula> (364)
C25H27N3O6S

>  <MolWeight> (364)
497.56338

>  <Cat> (364)
S0108

>  <Name> (364)
AZ-33

>  <Synonyms> (364)
Az-33, LDHA Inhibitor 33

>  <Target> (364)
LDH

>  <Form> (364)
Free Base

>  <CAS> (364)
1370290-34-8

>  <URL> (364)
http://www.selleckchem.com/products/az-33.html

$$$$

csChFnd80/01042313322D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 23  3  1  0  0  0  0
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M  END
>  <Mol_ID> (365)
6981

>  <Formula> (365)
C21H25F2N7O2

>  <MolWeight> (365)
445.4657064

>  <Cat> (365)
S8784

>  <Name> (365)
PQR620

>  <Synonyms> (365)
N/A

>  <Target> (365)
mTOR

>  <Form> (365)
Free Base

>  <CAS> (365)
1927857-56-4

>  <URL> (365)
http://www.selleckchem.com/products/pqr620.html

$$$$

csChFnd80/01042313322D

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M  END
>  <Mol_ID> (366)
7038

>  <Formula> (366)
C22H16ClN3O2

>  <MolWeight> (366)
389.83434

>  <Cat> (366)
S0444

>  <Name> (366)
Indibulin

>  <Target> (366)
Microtubule Associat

>  <Form> (366)
free base

>  <CAS> (366)
204205-90-3

>  <URL> (366)
http://www.selleckchem.com/products/Indibulin.html

$$$$

csChFnd80/01042313322D

 41 42  0  0  0  0  0  0  0  0999 V2000
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   15.7617    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4516    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 36  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 20  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  2  0  0  0  0
 28 33  1  0  0  0  0
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 29 32  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (367)
7055

>  <Formula> (367)
C25H34N6O8S2

>  <MolWeight> (367)
610.70286

>  <Cat> (367)
S0785

>  <Name> (367)
Apilimod mesylate

>  <Target> (367)
Interleukins

>  <Form> (367)
mesylate

>  <CAS> (367)
870087-36-8

>  <URL> (367)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/01042313322D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  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
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (368)
7094

>  <Formula> (368)
C17H18O4

>  <MolWeight> (368)
286.32242

>  <Cat> (368)
S3241

>  <Name> (368)
Loureirin A

>  <Target> (368)
Akt

>  <Form> (368)
free base

>  <CAS> (368)
119425-89-7

>  <URL> (368)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/01042313322D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    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
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (369)
7141

>  <Formula> (369)
C16H12O6

>  <MolWeight> (369)
300.26288

>  <Cat> (369)
S3296

>  <Name> (369)
Hispidulin

>  <Target> (369)
Pim

>  <Form> (369)
free base

>  <CAS> (369)
1447-88-7

>  <URL> (369)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/01042313322D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  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  1  1  0  0  0  0
  7 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  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (370)
7144

>  <Formula> (370)
C19H18NO4+

>  <MolWeight> (370)
324.35052

>  <Cat> (370)
S3299

>  <Name> (370)
Demethyleneberberine

>  <Target> (370)
Peroxidases

>  <Form> (370)
free base

>  <CAS> (370)
25459-91-0

>  <URL> (370)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/01042313322D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    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    1.4000    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
  3  4  1  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 10  1  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 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 13 14  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 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
  7 13  1  0  0  0  0
  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (371)
7161

>  <Formula> (371)
C27H33ClN2O4

>  <MolWeight> (371)
485.01492

>  <Cat> (371)
S6760

>  <Name> (371)
LM22B-10

>  <Target> (371)
Trk receptor

>  <Form> (371)
free base

>  <CAS> (371)
342777-54-2

>  <URL> (371)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/01042313322D

 33 38  0  0  0  0  0  0  0  0999 V2000
    7.7960    0.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3870    6.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    6.3804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7041    8.9928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6041   10.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4574    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (372)
7166

>  <Formula> (372)
C27H24N6

>  <MolWeight> (372)
432.51966

>  <Cat> (372)
S6811

>  <Name> (372)
Miransertib (ARQ-092)

>  <Target> (372)
Akt

>  <Form> (372)
free base

>  <CAS> (372)
1313881-70-7

>  <URL> (372)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/01042313322D

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M  END
>  <Mol_ID> (373)
7172

>  <Formula> (373)
C30H30O8

>  <MolWeight> (373)
518.5544

>  <Cat> (373)
S6852

>  <Name> (373)
Gossypol

>  <Target> (373)
Dehydrogenase

>  <Form> (373)
free base

>  <CAS> (373)
303-45-7

>  <URL> (373)
http://www.selleckchem.com/products/gossypol.html

$$$$

csChFnd80/01042313322D

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M  END
>  <Mol_ID> (374)
7204

>  <Formula> (374)
C31H25F2N5O7S

>  <MolWeight> (374)
649.6213064

>  <Cat> (374)
S8590

>  <Name> (374)
GSK 2837808A

>  <Target> (374)
Dehydrogenase

>  <Form> (374)
free base

>  <CAS> (374)
1445879-21-9

>  <URL> (374)
http://www.selleckchem.com/products/gsk-2837808A.html

$$$$

csChFnd80/01042313322D

 40 43  0  0  0  0  0  0  0  0999 V2000
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free base

>  <CAS> (375)
2289690-31-7

>  <URL> (375)
http://www.selleckchem.com/products/myci361.html

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>  <Formula> (376)
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>  <Target> (376)
c-Myc

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free base

>  <CAS> (376)
2289691-01-4

>  <URL> (376)
http://www.selleckchem.com/products/myci975.html

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csChFnd80/01042313322D

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>  <Formula> (377)
C22H13FN2O5

>  <MolWeight> (377)
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>  <Cat> (377)
S9602

>  <Name> (377)
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>  <Target> (377)
GSK-3

>  <Form> (377)
free base

>  <CAS> (377)
1034895-42-5

>  <URL> (377)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/01042313322D

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>  <Mol_ID> (378)
7230

>  <Formula> (378)
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>  <MolWeight> (378)
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>  <Cat> (378)
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>  <Name> (378)
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>  <Target> (378)
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>  <Form> (378)
free base

>  <CAS> (378)
1422365-93-2

>  <URL> (378)
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57818-44-7

>  <URL> (379)
http://www.selleckchem.com/products/abtl-0812.html

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>  <CAS> (380)
1613191-99-3

>  <URL> (380)
http://www.selleckchem.com/products/vx803-m4344.html

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>  <Formula> (381)
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>  <MolWeight> (381)
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>  <Cat> (381)
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>  <Synonyms> (381)
N/A

>  <Target> (381)
AMPK. apoptosis related

>  <Form> (381)
Free Base

>  <CAS> (381)
210302-17-3

>  <URL> (381)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/01042313322D

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>  <Cat> (382)
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>  <Synonyms> (382)
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>  <Target> (382)
AMPK

>  <Form> (382)
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>  <CAS> (382)
1261289-04-6

>  <URL> (382)
https://www.selleckchem.com/products/o-304.html

$$$$

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 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (383)
7423

>  <Formula> (383)
C29H30O13

>  <MolWeight> (383)
586.5407

>  <Cat> (383)
S1273

>  <Name> (383)
Amarogentin

>  <Synonyms> (383)
AG

>  <Target> (383)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (383)
Free Base

>  <CAS> (383)
21018-84-8

>  <URL> (383)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/01042313322D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    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
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    3.6373    0.7000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    7.2746    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
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (384)
7425

>  <Formula> (384)
C13H8O3

>  <MolWeight> (384)
212.20082

>  <Cat> (384)
S1321

>  <Name> (384)
Urolithin B

>  <Synonyms> (384)
N/A

>  <Target> (384)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (384)
Free Base

>  <CAS> (384)
1139-83-9

>  <URL> (384)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/01042313322D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (385)
7426

>  <Formula> (385)
C16H12O3

>  <MolWeight> (385)
252.26468

>  <Cat> (385)
S1323

>  <Name> (385)
7-Methoxyisoflavone

>  <Synonyms> (385)
MIF

>  <Target> (385)
AMPK

>  <Form> (385)
Free Base

>  <CAS> (385)
1621-56-3

>  <URL> (385)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/01042313322D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (386)
7432

>  <Formula> (386)
C30H36Br2N4O2

>  <MolWeight> (386)
644.44044

>  <Cat> (386)
S2942

>  <Name> (386)
EB-3D

>  <Synonyms> (386)
N/A

>  <Target> (386)
Choline kinase. AMPK. Apoptosis related

>  <Form> (386)
Free Base

>  <CAS> (386)
1839150-63-8

>  <URL> (386)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/01042313322D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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  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  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (387)
7529

>  <Formula> (387)
C16H30O2

>  <MolWeight> (387)
254.4082

>  <Cat> (387)
S3341

>  <Name> (387)
Palmitoleic acid

>  <Synonyms> (387)
POA, Palmitoleate

>  <Target> (387)
AMPK

>  <Form> (387)
Free Base

>  <CAS> (387)
373-49-9

>  <URL> (387)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/01042313322D

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.2817    7.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4787    8.5923    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0704    9.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4650    9.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2681    8.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6764    7.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6901    6.1767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0567   11.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3082    3.6612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8977    5.0053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931    5.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0357    3.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1577    2.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6317    3.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8984    1.8306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2220    1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4887    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8415    0.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0857    8.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3779    7.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6442    6.8379    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  1  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
  4  8  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
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (388)
7567

>  <Formula> (388)
C22H27ClN4O5

>  <MolWeight> (388)
462.92658

>  <Cat> (388)
S6921

>  <Name> (388)
Dorzagliatin

>  <Synonyms> (388)
HMS-5552, RO-5305552, Sinogliatin

>  <Target> (388)
Carbohydrate Metabolism

>  <Form> (388)
Free Base

>  <CAS> (388)
1191995-00-2

>  <URL> (388)
https://www.selleckchem.com/products/dorzagliatin.html

$$$$

csChFnd80/01042313322D

  9  8  0  0  0  0  0  0  0  0999 V2000
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  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (389)
7833

>  <Formula> (389)
C4H11N5

>  <MolWeight> (389)
129.16364

>  <Cat> (389)
S5958

>  <Name> (389)
Metformin

>  <Synonyms> (389)
1,1-Dimethylbiguanide

>  <Target> (389)
AMPK

>  <Form> (389)
Free Base

>  <CAS> (389)
657-24-9

>  <URL> (389)
http://www.selleckchem.com/products/metformin.html

$$$$

csChFnd80/01042313322D

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.6962    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (390)
7837

>  <Formula> (390)
C13H9ClN2O6S

>  <MolWeight> (390)
356.73836

>  <Cat> (390)
S2968

>  <Name> (390)
CTPI-2

>  <Synonyms> (390)
N/A

>  <Target> (390)
Mitochondrial Metabolism

>  <Form> (390)
Free Base

>  <CAS> (390)
68003-38-3

>  <URL> (390)
http://www.selleckchem.com/products/ctpi-2.html

$$$$

csChFnd80/01042313322D

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M  END
>  <Mol_ID> (391)
7915

>  <Formula> (391)
C44H70O16

>  <MolWeight> (391)
855.017

>  <Cat> (391)
E0022

>  <Name> (391)
Ophiopogonin D

>  <Synonyms> (391)
OJV-VI, Deacetylophiopogonin C

>  <Target> (391)
AMPK

>  <Form> (391)
Free Base

>  <CAS> (391)
945619-74-9

>  <URL> (391)
http://www.selleckchem.com/products/ophiopogonin-d.html

$$$$

csChFnd80/01042313322D

137139  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (392)
7923

>  <Formula> (392)
C90H154N30O17

>  <MolWeight> (392)
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>  <Cat> (392)
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>  <Name> (392)
ZIP

>  <Synonyms> (392)
N/A

>  <Target> (392)
PKM

>  <Form> (392)
Free Base

>  <CAS> (392)
863987-12-6

>  <URL> (392)
http://www.selleckchem.com/peptide/ZIP.html

$$$$

csChFnd80/01042313322D

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>  <Mol_ID> (393)
7967

>  <Formula> (393)
C22H23N5O8

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485.44672

>  <Cat> (393)
S4460

>  <Name> (393)
IMM-H007

>  <Synonyms> (393)
N/A

>  <Target> (393)
AMPK

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Free Base

>  <CAS> (393)
1221412-23-2

>  <URL> (393)
http://www.selleckchem.com/products/imm-h007.html

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csChFnd80/01042313322D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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  3  5  1  0  0  0  0
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 17 18  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 24 25  1  0  0  0  0
 16 24  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (394)
8032

>  <Formula> (394)
C24H24F3NO2

>  <MolWeight> (394)
415.4480696

>  <Cat> (394)
S9860

>  <Name> (394)
BC1618

>  <Synonyms> (394)
N/A

>  <Target> (394)
AMPK

>  <Form> (394)
Free Base

>  <CAS> (394)
2222094-18-8

>  <URL> (394)
http://www.selleckchem.com/products/bc1618.html

$$$$

csChFnd80/01042313322D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  1  0  0  0
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 11  4  1  1  0  0  0
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 12  5  1  1  0  0  0
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  8 19  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 20  1  0  0  0  0
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 21 22  2  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
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8089

>  <Formula> (395)
C24H20ClN3O4

>  <MolWeight> (395)
449.8863

>  <Cat> (395)
E1031

>  <Name> (395)
MK-8722

>  <Synonyms> (395)
N/A

>  <Target> (395)
AMPK

>  <Form> (395)
Free Base

>  <CAS> (395)
1394371-71-1

>  <URL> (395)
http://www.selleckchem.com/products/mk-8722.html

$$$$

csChFnd80/01042313322D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 19  1  0  0  0  0
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M  END
>  <Mol_ID> (396)
8329

>  <Formula> (396)
C17H20N4O2

>  <MolWeight> (396)
312.3663

>  <Cat> (396)
S0888

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Rsva 405

>  <Synonyms> (396)
N/A

>  <Target> (396)
Others

>  <Form> (396)
free base

>  <CAS> (396)
140405-36-3

>  <URL> (396)
http://www.selleckchem.com/products/rsva-405.html

$$$$

csChFnd80/01042313322D

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8361

>  <Formula> (397)
C22H25N5O4

>  <MolWeight> (397)
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>  <Cat> (397)
S3527

>  <Name> (397)
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>  <Synonyms> (397)
N/A

>  <Target> (397)
Carbohydrate Metabol

>  <Form> (397)
free base

>  <CAS> (397)
1442684-77-6

>  <URL> (397)
http://www.selleckchem.com/products/am2394.html

$$$$

csChFnd80/01042313322D

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 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
A   15
(E)
M  END
>  <Mol_ID> (398)
8470

>  <Formula> (398)
C10H10O4R

>  <MolWeight> (398)
194.184

>  <Cat> (398)
E0653

>  <Name> (398)
Trans-ferulic acid

>  <Target> (398)
AMPK

>  <Form> (398)
free base

>  <CAS> (398)
537-98-4

>  <URL> (398)
http://www.selleckchem.com/products/trans-ferulic-acid.html

$$$$

csChFnd80/01042313322D

 11  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (399)
8540

>  <Formula> (399)
C7H12NaO3

>  <MolWeight> (399)
167.15815

>  <Cat> (399)
E1017

>  <Name> (399)
ERG240

>  <Form> (399)
free base

>  <CAS> (399)
1415683-79-2

>  <URL> (399)
http://www.selleckchem.com/products/erg240.html

$$$$

csChFnd80/01042313322D

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 16 19  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Mol_ID> (400)
8621

>  <Formula> (400)
C13H13ClN2O2S

>  <MolWeight> (400)
296.77252

>  <Cat> (400)
E2509

>  <Name> (400)
WAY-297848

>  <Form> (400)
free base

>  <CAS> (400)
404360-27-6

>  <URL> (400)
http://www.selleckchem.com/products/way-297848.html

$$$$

csChFnd80/01042313322D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (401)
8672

>  <Formula> (401)
C16H16O5

>  <MolWeight> (401)
288.29524

>  <Cat> (401)
E2829

>  <Name> (401)
Alkannin

>  <Target> (401)
PKM

>  <Form> (401)
free base

>  <CAS> (401)
517-88-4

>  <URL> (401)
http://www.selleckchem.com/products/alkannin.html

$$$$

csChFnd80/01042313322D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (402)
8829

>  <Formula> (402)
C21H24N8O

>  <MolWeight> (402)
404.46826

>  <Cat> (402)
S0177

>  <Name> (402)
XMD-17-51

>  <Synonyms> (402)
XMD17-51

>  <Target> (402)
AMPK

>  <Form> (402)
Free base

>  <CAS> (402)
1628614-50-5

>  <URL> (402)
http://www.selleckchem.com/products/xmd-17-51.html

$$$$

csChFnd80/01042313322D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (403)
9159

>  <Formula> (403)
C20H18N6O3

>  <MolWeight> (403)
390.39532

>  <Cat> (403)
E2818

>  <Name> (403)
MARK4 inhibitor 1

>  <Target> (403)
AMPK

>  <Form> (403)
Free base

>  <CAS> (403)
2271081-58-2

>  <URL> (403)
http://www.selleckchem.com/products/mark4-inhibitor-1.html

$$$$
