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21

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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

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1.cdx
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26

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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
csChFnd80/11182016072D

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>  <Mol_ID> (3)
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>  <Formula> (3)
C51H79NO13

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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
csChFnd80/11182016072D

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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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csChFnd80/11182016072D

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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
csChFnd80/11182016072D

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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
csChFnd80/11182016072D

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ATM 

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587871-26-9

>  <URL> (8)
http://www.selleckchem.com/products/KU-55933.html

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>  <Target> (9)
PI3K 

>  <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)
PLK

>  <Form> (10)
Free Base

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

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

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>  <Mol_ID> (11)
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Everolimus (RAD001)

>  <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
csChFnd80/11182016072D

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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
csChFnd80/11182016072D

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>  <Mol_ID> (13)
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>  <Formula> (13)
C21H24N4O2

>  <MolWeight> (13)
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>  <Cat> (13)
S1169

>  <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
csChFnd80/11182016072D

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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
csChFnd80/11182016072D

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 10  5  1  0  0  0  0
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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
csChFnd80/11182016072D

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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
csChFnd80/11182016072D

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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
csChFnd80/11182016072D

 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
    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
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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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    7.3937    6.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.1595    5.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2882    6.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 10  5  1  0  0  0  0
  2 11  2  0  0  0  0
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  5 16  1  1  0  0  0
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 10 18  1  6  0  0  0
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 12 20  1  0  0  0  0
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 22 13  1  0  0  0  0
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 13 24  1  1  0  0  0
 21 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  6  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 26 33  1  1  0  0  0
 32 34  1  0  0  0  0
 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
csChFnd80/11182016072D

 36 40  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
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    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    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
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   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
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   11.8850    6.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9865   10.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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 14 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 16 27  1  1  0  0  0
 17 28  1  1  0  0  0
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 29 30  1  0  0  0  0
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 31 33  2  0  0  0  0
 28 34  2  0  0  0  0
 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
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
csChFnd80/11182016072D

 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
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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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  1  2  1  0  0  0  0
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  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
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (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
csChFnd80/11182016072D

 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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TG100-115

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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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 27 29  1  0  0  0  0
 18 30  1  6  0  0  0
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
csChFnd80/11182016072D

 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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   17.8824    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
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
csChFnd80/11182016072D

 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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   11.2097    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
csChFnd80/11182016072D

 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
csChFnd80/11182016072D

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mTOR

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1009298-09-2

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http://www.selleckchem.com/products/AZD8055.html

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1191951-57-1

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857531-00-1

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$$$$
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1744-22-5

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    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
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    6.9081    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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  7  8  1  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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 14 10  1  0  0  0  0
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 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
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 17 25  1  1  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
csChFnd80/11182016072D

 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
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   11.4563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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
 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
csChFnd80/11182016072D

 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
    2.6037    5.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9560    4.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4857    2.1478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
  1 20  1  0  0  0  0
  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
csChFnd80/11182016072D

 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
    8.8705    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8705    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7705    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    5.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.1090    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
    7.2746   12.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    2.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 19 24  2  0  0  0  0
  6 16  1  0  0  0  0
 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
 29 31  1  0  0  0  0
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 32 33  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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 21 39  1  0  0  0  0
 11 40  1  0  0  0  0
  5 41  1  0  0  0  0
 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
csChFnd80/11182016072D

 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
csChFnd80/11182016072D

 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
csChFnd80/11182016072D

 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
csChFnd80/11182016072D

 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
csChFnd80/11182016072D

 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
csChFnd80/11182016072D

 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
csChFnd80/11182016072D

 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
csChFnd80/11182016072D

 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
csChFnd80/11182016072D

 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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391.7742296

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S2861

>  <Name> (48)
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
csChFnd80/11182016072D

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>  <Mol_ID> (49)
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
csChFnd80/11182016072D

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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
csChFnd80/11182016072D

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>  <Mol_ID> (51)
518

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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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550

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C20H17Cl2N9O2

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CHIR-98014

>  <Synonyms> (52)
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

$$$$
MK-8245.cdx
csChFnd80/11182016072D

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554

>  <Formula> (53)
C17H16BrFN6O4

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467.2491432

>  <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

$$$$
NVP-BGT226.cdx
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>  <Mol_ID> (54)
555

>  <Formula> (54)
C32H29F3N6O6

>  <MolWeight> (54)
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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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Akt 

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1001264-89-6

>  <URL> (63)
http://www.selleckchem.com/products/gdc-0068.html

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csChFnd80/11182016072D

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617

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mTOR

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Free Base

>  <CAS> (64)
1223001-51-1

>  <URL> (64)
http://www.selleckchem.com/products/torin-2.html

$$$$
BYL-719.cdx
csChFnd80/11182016072D

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618

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C19H22F3N5O2S

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441.4704896

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S2814

>  <Name> (65)
Alpelisib (BYL719)

>  <Synonyms> (65)
N/A 

>  <Target> (65)
PI3K

>  <Form> (65)
Free Base

>  <CAS> (65)
1217486-61-7

>  <URL> (65)
http://www.selleckchem.com/products/byl719.html

$$$$
Quercetin.cdx
csChFnd80/11182016072D

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625

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C15H10O7

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Quercetin (Sophoretin)

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Meletin, Quercetine

>  <Target> (66)
PI3K, PKC, Src, Sirtuin

>  <Form> (66)
Free Base

>  <CAS> (66)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (67)
629

>  <Formula> (67)
C14H20O7

>  <MolWeight> (67)
300.3044

>  <Cat> (67)
S2396

>  <Name> (67)
Salidroside (Rhodioloside)

>  <Synonyms> (67)
Rhodioloside

>  <Target> (67)
Others

>  <Form> (67)
Free Base

>  <CAS> (67)
10338-51-9

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

$$$$
dextrose.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (68)
634

>  <Formula> (68)
C6H12O6

>  <MolWeight> (68)
180.15588

>  <Cat> (68)
S2123

>  <Name> (68)
Dextrose (D-glucose)

>  <Synonyms> (68)
D-glucose, Grape sugar 

>  <Target> (68)
Others

>  <Form> (68)
Free Base

>  <CAS> (68)
50-99-7

>  <URL> (68)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

$$$$
PP442.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (69)
687

>  <Formula> (69)
C16H16N6O

>  <MolWeight> (69)
308.33784

>  <Cat> (69)
S2218

>  <Name> (69)
Torkinib (PP242)

>  <Synonyms> (69)
TORKinib 

>  <Target> (69)
mTOR

>  <Form> (69)
Free Base

>  <CAS> (69)
1092351-67-1

>  <URL> (69)
http://www.selleckchem.com/products/PP242.html

$$$$
(+)-Usniacin.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (70)
691

>  <Formula> (70)
C18H16O7

>  <MolWeight> (70)
344.31544

>  <Cat> (70)
S2252

>  <Name> (70)
(+)-Usniacin (D-Usnic acid)

>  <Synonyms> (70)
D-Usnic acid

>  <Target> (70)
Others

>  <Form> (70)
Free Base

>  <CAS> (70)
7562-61-0

>  <URL> (70)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

$$$$
MPEP.cdx
csChFnd80/11182016072D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (71)
702

>  <Formula> (71)
C14H11N

>  <MolWeight> (71)
193.24384

>  <Cat> (71)
S2809

>  <Name> (71)
MPEP

>  <Synonyms> (71)
N/A 

>  <Target> (71)
GluR

>  <Form> (71)
Free Base

>  <CAS> (71)
96206-92-7

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

$$$$
Cryptotanshinone.cdx
csChFnd80/11182016072D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
714

>  <Formula> (72)
C19H20O3

>  <MolWeight> (72)
296.3603

>  <Cat> (72)
S2285

>  <Name> (72)
Cryptotanshinone

>  <Synonyms> (72)
N/A

>  <Target> (72)
STAT

>  <Form> (72)
Free Base

>  <CAS> (72)
35825-57-1

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

$$$$
Emodin.cdx
csChFnd80/11182016072D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (73)
720

>  <Formula> (73)
C15H10O5

>  <MolWeight> (73)
270.2369

>  <Cat> (73)
S2295

>  <Name> (73)
Emodin

>  <Synonyms> (73)
N/A

>  <Target> (73)
Dehydrogenase

>  <Form> (73)
Free Base

>  <CAS> (73)
518-82-1

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

$$$$
Enoxolone.cdx
csChFnd80/11182016072D

 38 42  0  0  0  0  0  0  0  0999 V2000
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    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  0  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  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6951    0.0000 H   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
    7.2704    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053    9.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    9.3851    0.0000 C   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
   11.8977    8.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852   10.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  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  2  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 18  1  0  0  0  0
 18 12  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  1  0  0  0  0
 22 18  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  0  0  0  0
  5 25  1  1  0  0  0
  9 26  1  1  0  0  0
 18 27  1  1  0  0  0
 17 28  1  1  0  0  0
  2 29  1  6  0  0  0
  3 30  1  0  0  0  0
  4 31  1  6  0  0  0
 10 32  1  6  0  0  0
 11 33  1  6  0  0  0
 21 34  1  6  0  0  0
 21 35  1  1  0  0  0
 14 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (74)
721

>  <Formula> (74)
C30H46O4

>  <MolWeight> (74)
470.68384

>  <Cat> (74)
S2296

>  <Name> (74)
Enoxolone (Glycyrrhetin)

>  <Synonyms> (74)
Glycyrrhetin, Uralenic acid 

>  <Target> (74)
Dehydrogenase

>  <Form> (74)
Free Base

>  <CAS> (74)
471-53-4

>  <URL> (74)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

$$$$
Glycyrrhizic acid.cdx
csChFnd80/11182016072D

 61 67  0  0  0  0  0  0  0  0999 V2000
    9.6869    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   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
   19.1639   14.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.0538    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  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  2  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 18  1  0  0  0  0
 18 12  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  1  0  0  0  0
 22 18  1  0  0  0  0
  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
 21 28  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 14 31  2  0  0  0  0
  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
 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
 39 34  1  0  0  0  0
 21 40  1  6  0  0  0
 11 41  1  6  0  0  0
 10 42  1  6  0  0  0
  4 43  1  6  0  0  0
 37 44  1  6  0  0  0
 39 45  1  6  0  0  0
 45 46  1  0  0  0  0
 46 47  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 46  1  0  0  0  0
 36 52  1  1  0  0  0
 38 53  1  1  0  0  0
 50 54  1  1  0  0  0
 48 55  1  1  0  0  0
 49 56  1  6  0  0  0
 51 57  1  6  0  0  0
 55 58  1  0  0  0  0
 55 59  2  0  0  0  0
 52 60  1  0  0  0  0
 52 61  2  0  0  0  0
M  END
>  <Mol_ID> (75)
726

>  <Formula> (75)
C42H62O16

>  <MolWeight> (75)
822.93208

>  <Cat> (75)
S2302

>  <Name> (75)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Synonyms> (75)
N/A

>  <Target> (75)
Others

>  <Form> (75)
Free Base

>  <CAS> (75)
1405-86-3

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

$$$$
Honokiol.cdx
csChFnd80/11182016072D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (76)
733

>  <Formula> (76)
C18H18O2

>  <MolWeight> (76)
266.33432

>  <Cat> (76)
S2310

>  <Name> (76)
Honokiol

>  <Synonyms> (76)
N/A

>  <Target> (76)
Akt, MEK

>  <Form> (76)
Free Base

>  <CAS> (76)
35354-74-6

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

$$$$
Oridonin.cdx
csChFnd80/11182016072D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  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
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (77)
752

>  <Formula> (77)
C20H28O6

>  <MolWeight> (77)
364.43272

>  <Cat> (77)
S2335

>  <Name> (77)
Oridonin (Isodonol)

>  <Synonyms> (77)
Isodonol

>  <Target> (77)
Others

>  <Form> (77)
Free Base

>  <CAS> (77)
28957-04-2

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

$$$$
Phloretin.cdx
csChFnd80/11182016072D

 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
    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
    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
   10.8993    6.2903    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
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (78)
758

>  <Formula> (78)
C15H14O5

>  <MolWeight> (78)
274.26866

>  <Cat> (78)
S2342

>  <Name> (78)
Phloretin

>  <Synonyms> (78)
Dihydronaringenin

>  <Target> (78)
SGLT

>  <Form> (78)
Free Base

>  <CAS> (78)
60-82-2

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

$$$$
Phlorizin.cdx
csChFnd80/11182016072D

 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> (79)
759

>  <Formula> (79)
C21H24O10

>  <MolWeight> (79)
436.40926

>  <Cat> (79)
S2343

>  <Name> (79)
Phlorizin (Phloridzin)

>  <Synonyms> (79)
Phlorhizin, Phlorizoside 

>  <Target> (79)
SGLT

>  <Form> (79)
Free Base

>  <CAS> (79)
60-81-1

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/11182016072D

 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> (80)
762

>  <Formula> (80)
C15H14O9

>  <MolWeight> (80)
338.26626

>  <Cat> (80)
S2347

>  <Name> (80)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (80)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (80)
Others

>  <Form> (80)
Dihydrate

>  <CAS> (80)
6151-25-3

>  <URL> (80)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/11182016072D

 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> (81)
767

>  <Formula> (81)
C15H12O8

>  <MolWeight> (81)
320.25098

>  <Cat> (81)
S2399

>  <Name> (81)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (81)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (81)
Others

>  <Form> (81)
Free Base

>  <CAS> (81)
27200-12-0

>  <URL> (81)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/11182016072D

 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
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M  END
>  <Mol_ID> (82)
770

>  <Formula> (82)
C15H22N2O

>  <MolWeight> (82)
246.34798

>  <Cat> (82)
S2405

>  <Name> (82)
Sophocarpine

>  <Synonyms> (82)
N/A

>  <Target> (82)
Others

>  <Form> (82)
Free Base

>  <CAS> (82)
6483-15-4

>  <URL> (82)
http://www.selleckchem.com/products/Sophocarpine.html

$$$$
Mycophenolic acid.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (83)
804

>  <Formula> (83)
C17H20O6

>  <MolWeight> (83)
320.3371

>  <Cat> (83)
S2487

>  <Name> (83)
Mycophenolic acid

>  <Synonyms> (83)
Mycophenolate, RS-61443

>  <Target> (83)
Dehydrogenase

>  <Form> (83)
Free Base

>  <CAS> (83)
24280-93-1

>  <URL> (83)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

$$$$
GSK2126458.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (84)
812

>  <Formula> (84)
C25H17F2N5O3S

>  <MolWeight> (84)
505.4959864

>  <Cat> (84)
S2658

>  <Name> (84)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (84)
N/A 

>  <Target> (84)
PI3K, mTOR

>  <Form> (84)
Free Base

>  <CAS> (84)
1086062-66-9 

>  <URL> (84)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
CAL-1011.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (85)
843

>  <Formula> (85)
C22H18FN7O

>  <MolWeight> (85)
415.4230232

>  <Cat> (85)
S2226

>  <Name> (85)
CAL-101 (GS-1101)

>  <Synonyms> (85)
CAL101

>  <Target> (85)
PI3K 

>  <Form> (85)
Free Base

>  <CAS> (85)
870281-82-6

>  <URL> (85)
http://www.selleckchem.com/products/CAL-101.html

$$$$
PIK-294.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (86)
845

>  <Formula> (86)
C28H23N7O2

>  <MolWeight> (86)
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>  <Cat> (86)
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>  <Name> (86)
PIK-294

>  <Synonyms> (86)
N/A 

>  <Target> (86)
PI3K 

>  <Form> (86)
Free Base

>  <CAS> (86)
900185-02-6

>  <URL> (86)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (87)
852

>  <Formula> (87)
C10H16ClN5

>  <MolWeight> (87)
241.72054

>  <Cat> (87)
S2542

>  <Name> (87)
Phenformin hydrochloride 

>  <Synonyms> (87)
N/A

>  <Target> (87)
AMPK

>  <Form> (87)
Hydrochloride 

>  <CAS> (87)
834-28-6

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

$$$$
OSI-027.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (88)
857

>  <Formula> (88)
C21H22N6O3

>  <MolWeight> (88)
406.43778

>  <Cat> (88)
S2624

>  <Name> (88)
OSI-027

>  <Synonyms> (88)
N/A 

>  <Target> (88)
mTOR

>  <Form> (88)
Free Base

>  <CAS> (88)
936890-98-1

>  <URL> (88)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/11182016072D

 24 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (89)
858

>  <Formula> (89)
C17H17N7

>  <MolWeight> (89)
319.36378

>  <Cat> (89)
S2622

>  <Name> (89)
PP-121

>  <Synonyms> (89)
N/A

>  <Target> (89)
DNA-PK, mTOR, PDGF

>  <Form> (89)
Free Base

>  <CAS> (89)
1092788-83-4

>  <URL> (89)
http://www.selleckchem.com/products/PP121.html

$$$$
Cortisone acetate.cdx
csChFnd80/11182016072D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (90)
865

>  <Formula> (90)
C23H30O6

>  <MolWeight> (90)
402.4807

>  <Cat> (90)
S2559

>  <Name> (90)
Cortisone acetate (Cortone)

>  <Synonyms> (90)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (90)
Glucocorticoid Receptor

>  <Form> (90)
Free Base

>  <CAS> (90)
18357

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

$$$$
BKM-120.cdx
csChFnd80/11182016072D

 29 32  0  0  0  0  0  0  0  0999 V2000
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1144068-46-1

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http://www.selleckchem.com/products/wye-125132.html

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csChFnd80/11182016072D

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GSK-3

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Free Base

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601514-19-6

>  <URL> (101)
http://www.selleckchem.com/products/TWS119.html

$$$$
937174-76-0.cdx
csChFnd80/11182016072D

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N/A

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Akt

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Free Base

>  <CAS> (102)
937174-76-0

>  <URL> (102)
http://www.selleckchem.com/products/GSK690693.html

$$$$
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C26H32F2O7

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Fluocinonide (Vanos)

>  <Synonyms> (103)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (103)
Glucocorticoid Receptor

>  <Form> (103)
Free Base

>  <CAS> (103)
356-12-7

>  <URL> (103)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

$$$$
Prednisolone acetate.cdx
csChFnd80/11182016072D

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910

>  <Formula> (104)
C23H30O6

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402.4807

>  <Cat> (104)
S2570

>  <Name> (104)
Prednisolone acetate (Omnipred)

>  <Synonyms> (104)
Omnipred

>  <Target> (104)
Glucocorticoid Receptor

>  <Form> (104)
Free Base

>  <CAS> (104)
52-21-1

>  <URL> (104)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

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934

>  <Formula> (105)
C15H19N7O3S

>  <MolWeight> (105)
377.42146

>  <Cat> (105)
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CH5132799

>  <Synonyms> (105)
N/A

>  <Target> (105)
PI3K, mTOR

>  <Form> (105)
Free Base

>  <CAS> (105)
1007207-67-1

>  <URL> (105)
http://www.selleckchem.com/products/ch5132799.html

$$$$
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>  <Mol_ID> (106)
935

>  <Formula> (106)
C23H30N8O3S

>  <MolWeight> (106)
498.6011

>  <Cat> (106)
S2696

>  <Name> (106)
Apitolisib (GDC-0980, RG7422)

>  <Synonyms> (106)
N/A 

>  <Target> (106)
mTOR, PI3K

>  <Form> (106)
Free Base

>  <CAS> (106)
1032754-93-0

>  <URL> (106)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

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SB415286.cdx
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>  <Mol_ID> (107)
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>  <Formula> (107)
C16H10ClN3O5

>  <MolWeight> (107)
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>  <Cat> (107)
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>  <Synonyms> (107)
N/A

>  <Target> (107)
GSK-3

>  <Form> (107)
Free Base

>  <CAS> (107)
264218-23-7

>  <URL> (107)
http://www.selleckchem.com/products/sb-415286.html

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M  END
>  <Mol_ID> (108)
948

>  <Formula> (108)
C15H15N7O

>  <MolWeight> (108)
309.3259

>  <Cat> (108)
S2811

>  <Name> (108)
INK 128 (MLN0128)

>  <Synonyms> (108)
N/A 

>  <Target> (108)
mTOR 

>  <Form> (108)
Free Base

>  <CAS> (108)
1224844-38-5

>  <URL> (108)
http://www.selleckchem.com/products/ink128.html

$$$$
PF-04691502.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (109)
960

>  <Formula> (109)
C22H27N5O4

>  <MolWeight> (109)
425.48088

>  <Cat> (109)
S2743

>  <Name> (109)
PF-04691502

>  <Synonyms> (109)
N/A

>  <Target> (109)
mTOR, PI3K, Akt

>  <Form> (109)
Free Base

>  <CAS> (109)
1013101-36-4 

>  <URL> (109)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Fluticasone propionate.cdx
csChFnd80/11182016072D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (110)
965

>  <Formula> (110)
C25H31F3O5S

>  <MolWeight> (110)
500.5708496

>  <Cat> (110)
S1992

>  <Name> (110)
Fluticasone propionate (Flonase, Veramyst)

>  <Synonyms> (110)
N/A 

>  <Target> (110)
Glucocorticoid Receptor

>  <Form> (110)
Free Base

>  <CAS> (110)
80474-14-2

>  <URL> (110)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

$$$$
Mometasone furoate.cdx
csChFnd80/11182016072D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (111)
970

>  <Formula> (111)
C27H30Cl2O6

>  <MolWeight> (111)
521.4295

>  <Cat> (111)
S1987

>  <Name> (111)
Mometasone furoate

>  <Synonyms> (111)
N/A

>  <Target> (111)
Glucocorticoid Receptor

>  <Form> (111)
Furoate

>  <CAS> (111)
83919-23-7

>  <URL> (111)
http://www.selleckchem.com/products/mometasone-furoate.html

$$$$
Bifonazole.cdx
csChFnd80/11182016072D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    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
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    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  5  6  2  0  0  0  0
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  7  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13  9  1  0  0  0  0
  8 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18  8  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (112)
978

>  <Formula> (112)
C22H18N2

>  <MolWeight> (112)
310.39172

>  <Cat> (112)
S1854

>  <Name> (112)
Bifonazole

>  <Synonyms> (112)
N/A

>  <Target> (112)
Antifection

>  <Form> (112)
Free Base

>  <CAS> (112)
60628-96-8

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

$$$$
Clobetasol propionate.cdx
csChFnd80/11182016072D

 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
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    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
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    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
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    4.9646    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    8.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6372    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0268    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2392    5.3326    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 11 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  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
 16 24  1  1  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
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 16 33  1  6  0  0  0
 23 34  1  0  0  0  0
 34 35  1  0  0  0  0
 23 36  2  0  0  0  0
M  END
>  <Mol_ID> (113)
990

>  <Formula> (113)
C25H32ClFO5

>  <MolWeight> (113)
466.9699832

>  <Cat> (113)
S2584

>  <Name> (113)
Clobetasol propionate

>  <Synonyms> (113)
N/A

>  <Target> (113)
Glucocorticoid Receptor

>  <Form> (113)
Free Base

>  <CAS> (113)
25122-46-7

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

$$$$
Lonidamine.cdx
csChFnd80/11182016072D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    6.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    0.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4889    5.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8583    5.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2909    6.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542    7.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847    7.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    3.8786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6556    7.1180    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (114)
991

>  <Formula> (114)
C15H10Cl2N2O2

>  <MolWeight> (114)
321.1581

>  <Cat> (114)
S2610

>  <Name> (114)
Lonidamine

>  <Synonyms> (114)
N/A

>  <Target> (114)
Others

>  <Form> (114)
Free Base

>  <CAS> (114)
50264-69-2

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

$$$$
Gimeracil.cdx
csChFnd80/11182016072D

  9  9  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 N   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  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (115)
1017

>  <Formula> (115)
C5H4ClNO2

>  <MolWeight> (115)
145.54376

>  <Cat> (115)
S2055

>  <Name> (115)
Gimeracil

>  <Synonyms> (115)
N/A

>  <Target> (115)
Dehydrogenase

>  <Form> (115)
Free Base

>  <CAS> (115)
103766-25-2

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

$$$$
ADX47273.cdx
csChFnd80/11182016072D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1898    8.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  8 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  9  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (116)
1033

>  <Formula> (116)
C20H17F2N3O2

>  <MolWeight> (116)
369.3646864

>  <Cat> (116)
S2690

>  <Name> (116)
ADX-47273

>  <Synonyms> (116)
N/A 

>  <Target> (116)
GluR

>  <Form> (116)
Free Base

>  <CAS> (116)
851881-60-2

>  <URL> (116)
http://www.selleckchem.com/products/adx-47273.html

$$$$
AZD 6482.cdx
csChFnd80/11182016072D

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.9119    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
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C22H24N4O4

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Free Base

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1173900-33-8

>  <URL> (117)
http://www.selleckchem.com/products/azd6482.html

$$$$
Tideglusib.cdx
csChFnd80/11182016072D

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C19H14N2O2S

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>  <Target> (118)
GSK-3

>  <Form> (118)
Free Base

>  <CAS> (118)
865854-05-3 

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

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (119)
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C28H37ClO7

>  <MolWeight> (119)
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S3078

>  <Name> (119)
Beclomethasone dipropionate 

>  <Synonyms> (119)
Beclometasone dipropionate

>  <Target> (119)
Glucocorticoid Receptor

>  <Form> (119)
Free Base

>  <CAS> (119)
1327543

>  <URL> (119)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

$$$$
Pircetam.cdx
csChFnd80/11182016072D

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C6H10N2O2

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S3070

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GluR

>  <Form> (120)
Free Base

>  <CAS> (120)
7491-74-9

>  <URL> (120)
http://www.selleckchem.com/products/piracetam.html

$$$$
VU 0364770.cdx
csChFnd80/11182016072D

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VU 0364770

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N/A

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GluR

>  <Form> (121)
Free Base

>  <CAS> (121)
61350-00-3

>  <URL> (121)
http://www.selleckchem.com/products/vu-0364770.html

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (122)
1119

>  <Formula> (122)
C16H32Br2N2

>  <MolWeight> (122)
412.24668

>  <Cat> (122)
S2860

>  <Name> (122)
IEM 1754 dihydrobroMide

>  <Synonyms> (122)
N/A

>  <Target> (122)
5-HT Receptor

>  <Form> (122)
DihydrobroMide

>  <CAS> (122)
162831-31-4

>  <URL> (122)
http://www.selleckchem.com/products/iem-1754-dihydrobromide.html

$$$$
VU 0361737.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (123)
1128

>  <Formula> (123)
C13H11ClN2O2

>  <MolWeight> (123)
262.69164

>  <Cat> (123)
S2892

>  <Name> (123)
VU 0361737

>  <Synonyms> (123)
N/A

>  <Target> (123)
GluR

>  <Form> (123)
Free Base

>  <CAS> (123)
1161205-04-4

>  <URL> (123)
http://www.selleckchem.com/products/vu-0361737.html

$$$$
IOX2.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (124)
1159

>  <Formula> (124)
C19H16N2O5

>  <MolWeight> (124)
352.34074

>  <Cat> (124)
S2919

>  <Name> (124)
IOX2

>  <Synonyms> (124)
N/A

>  <Target> (124)
HIF

>  <Form> (124)
Free Base

>  <CAS> (124)
931398-72-0

>  <URL> (124)
http://www.selleckchem.com/products/iox2.html

$$$$
TDZD-8.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (125)
1167

>  <Formula> (125)
C10H10N2O2S

>  <MolWeight> (125)
222.2636

>  <Cat> (125)
S2926

>  <Name> (125)
TDZD-8

>  <Synonyms> (125)
N/A

>  <Target> (125)
GSK-3

>  <Form> (125)
Free Base

>  <CAS> (125)
327036-89-5 

>  <URL> (125)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/11182016072D

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>  <Mol_ID> (126)
1222

>  <Formula> (126)
C24H30F2O6

>  <MolWeight> (126)
452.4882064

>  <Cat> (126)
S2470

>  <Name> (126)
Fluocinolone acetonide (Flucort-N)

>  <Synonyms> (126)
Flucort-N

>  <Target> (126)
Glucocorticoid Receptor

>  <Form> (126)
Free Base

>  <CAS> (126)
67-73-2

>  <URL> (126)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

$$$$
aicar.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (127)
1256

>  <Formula> (127)
C9H14N4O5

>  <MolWeight> (127)
258.23126

>  <Cat> (127)
S1802

>  <Name> (127)
AICAR (Acadesine)

>  <Synonyms> (127)
AICAR, AICA-riboside

>  <Target> (127)
AMPK

>  <Form> (127)
Free Base

>  <CAS> (127)
2627-69-2

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

$$$$
isovaleramide.cdx
csChFnd80/11182016072D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
1366

>  <Formula> (128)
C5H11NO

>  <MolWeight> (128)
101.14694

>  <Cat> (128)
S4116

>  <Name> (128)
Isovaleramide

>  <Synonyms> (128)
N/A

>  <Target> (128)
Dehydrogenase

>  <Form> (128)
Free Base

>  <CAS> (128)
541-46-8

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

$$$$
flumethasone.cdx
csChFnd80/11182016072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
1407

>  <Formula> (129)
C22H28F2O5

>  <MolWeight> (129)
410.4515264

>  <Cat> (129)
S4088

>  <Name> (129)
Flumethasone

>  <Synonyms> (129)
N/A

>  <Target> (129)
Glucocorticoid Receptor

>  <Form> (129)
Free Base

>  <CAS> (129)
2135-17-3

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

$$$$
Fluorometholone Acetate.cdx
csChFnd80/11182016072D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (130)
1433

>  <Formula> (130)
C24H31FO5

>  <MolWeight> (130)
418.4983432

>  <Cat> (130)
S4228

>  <Name> (130)
Fluorometholone Acetate

>  <Synonyms> (130)
N/A

>  <Target> (130)
Glucocorticoid Receptor

>  <Form> (130)
Free Base

>  <CAS> (130)
694485

>  <URL> (130)
http://www.selleckchem.com/products/fluorometholone-acetate.html

$$$$
Latrepirdine.cdx
csChFnd80/11182016072D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
1456

>  <Formula> (131)
C21H27Cl2N3

>  <MolWeight> (131)
392.36518

>  <Cat> (131)
S1245

>  <Name> (131)
Latrepirdine 2HCl

>  <Synonyms> (131)
Dimebolin

>  <Target> (131)
GluR

>  <Form> (131)
Dihydrochloride

>  <CAS> (131)
97657-92-6

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

$$$$
Daidzin.cdx
csChFnd80/11182016072D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (132)
1459

>  <Formula> (132)
C21H20O9

>  <MolWeight> (132)
416.3781

>  <Cat> (132)
S2289

>  <Name> (132)
Daidzin

>  <Synonyms> (132)
N/A

>  <Target> (132)
Others

>  <Form> (132)
Free Base

>  <CAS> (132)
552-66-9

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

$$$$
untitled.cdx
csChFnd80/11182016072D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
1463

>  <Formula> (133)
C13H16N6O4

>  <MolWeight> (133)
320.30394

>  <Cat> (133)
S1117

>  <Name> (133)
Triciribine

>  <Synonyms> (133)
N/A

>  <Target> (133)
Akt

>  <Form> (133)
Free Base

>  <CAS> (133)
35943-35-2

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

$$$$
METI-DERM (prednisolone).cdx
csChFnd80/11182016072D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
1474

>  <Formula> (134)
C21H28O5

>  <MolWeight> (134)
360.44402

>  <Cat> (134)
S1737

>  <Name> (134)
Prednisolone

>  <Synonyms> (134)
Decaprednil, Predonine

>  <Target> (134)
Glucocorticoid Receptor

>  <Form> (134)
Free Base

>  <CAS> (134)
50-24-8

>  <URL> (134)
http://www.selleckchem.com/products/Prednisolone(Hydroretrocortine).html

$$$$
Flufenamic acid.cdx
csChFnd80/11182016072D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (135)
1489

>  <Formula> (135)
C14H10F3NO2

>  <MolWeight> (135)
281.2299096

>  <Cat> (135)
S4268

>  <Name> (135)
Flufenamic acid

>  <Synonyms> (135)
N/A

>  <Target> (135)
COX

>  <Form> (135)
Free Base

>  <CAS> (135)
530-78-9

>  <URL> (135)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
Dicoumarol.cdx
csChFnd80/11182016072D

 25 28  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> (136)
1520

>  <Formula> (136)
C19H12O6

>  <MolWeight> (136)
336.29498

>  <Cat> (136)
S4299

>  <Name> (136)
Dicoumarol

>  <Synonyms> (136)
Dicumarol

>  <Target> (136)
Others

>  <Form> (136)
Free Base

>  <CAS> (136)
66-76-2

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

$$$$
Temsirolimus.cdx
csChFnd80/11182016072D

 73 76  0  0  0  0  0  0  0  0999 V2000
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   17.4828    4.1715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.1565    5.7184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 72 73  1  6  0  0  0
M  END
>  <Mol_ID> (137)
1537

>  <Formula> (137)
C56H87NO16

>  <MolWeight> (137)
1030.28708

>  <Cat> (137)
S1044

>  <Name> (137)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (137)
N/A

>  <Target> (137)
mTOR

>  <Form> (137)
Free Base

>  <CAS> (137)
162635-04-3

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

$$$$
Gossypol-a ceticacid.cdx
csChFnd80/11182016072D

 44 46  0  0  0  0  0  0  0  0999 V2000
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 42 44  2  0  0  0  0
M  END
>  <Mol_ID> (138)
1557

>  <Formula> (138)
C32H34O10

>  <MolWeight> (138)
578.60636

>  <Cat> (138)
S2303

>  <Name> (138)
gossypol-Acetic acid

>  <Synonyms> (138)
Pogosin, AT101

>  <Target> (138)
Dehydrogenase

>  <Form> (138)
Acetate

>  <CAS> (138)
12542-36-8

>  <URL> (138)
http://www.selleckchem.com/products/Gossypol.html

$$$$
Esomeprazole sodium.cdx
csChFnd80/11182016072D

 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
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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> (139)
1577

>  <Formula> (139)
C17H18N3NaO3S

>  <MolWeight> (139)
367.39789

>  <Cat> (139)
S2233

>  <Name> (139)
Esomeprazole sodium

>  <Synonyms> (139)
N/A

>  <Target> (139)
ATPase

>  <Form> (139)
Sodium salt

>  <CAS> (139)
161796-78-7

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

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/11182016072D

 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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   10.6818    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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    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
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M  END
>  <Mol_ID> (140)
1578

>  <Formula> (140)
C34H36MgN6O6S2

>  <MolWeight> (140)
713.12124

>  <Cat> (140)
S1743

>  <Name> (140)
NEXIUM (esomeprazole magnesium)

>  <Synonyms> (140)
N/A

>  <Target> (140)
Proton Pump

>  <Form> (140)
Magnesium salt

>  <CAS> (140)
161973-10-0

>  <URL> (140)
http://www.selleckchem.com/products/nexium-esomeprazole-magnesium.html

$$$$
Danthron.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (141)
1594

>  <Formula> (141)
C14H8O4

>  <MolWeight> (141)
240.21092

>  <Cat> (141)
S4561

>  <Name> (141)
Danthron

>  <Synonyms> (141)
chrysazin, Antrapurol

>  <Target> (141)
Others

>  <Form> (141)
Free Base

>  <CAS> (141)
117-10-2

>  <URL> (141)
http://www.selleckchem.com/products/danthron.html

$$$$
S4716 Evans Blue.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (142)
1701

>  <Formula> (142)
C34H24N6Na4O14S4

>  <MolWeight> (142)
960.80524

>  <Cat> (142)
S4716

>  <Name> (142)
Evans Blue

>  <Synonyms> (142)
Direct Blue 53

>  <Target> (142)
GluR

>  <Form> (142)
sodium salt

>  <CAS> (142)
314-13-6

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

$$$$
S4711 Esculetin.cdx
csChFnd80/11182016072D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (143)
1702

>  <Formula> (143)
C9H6O4

>  <MolWeight> (143)
178.14154

>  <Cat> (143)
S4711

>  <Name> (143)
Esculetin

>  <Synonyms> (143)
Cichorigenin|Aesculetin

>  <Target> (143)
Others

>  <Form> (143)
Free Base

>  <CAS> (143)
305-01-1

>  <URL> (143)
http://www.selleckchem.com/products/esculetin.html

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/11182016072D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    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
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (144)
1714

>  <Formula> (144)
C6H12O5

>  <MolWeight> (144)
164.15648

>  <Cat> (144)
S4701

>  <Name> (144)
2-Deoxy-D-glucose

>  <Synonyms> (144)
2-deoxyglucose, NSC 15193

>  <Target> (144)
Others

>  <Form> (144)
Free Base

>  <CAS> (144)
154-17-6

>  <URL> (144)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
S4752 Corticosterone.cdx
csChFnd80/11182016072D

 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
    6.0664    2.0975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6416    2.1025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8583    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2803    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0636    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0721    4.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9605    5.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6109    2.3597    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
    2.4249    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155    4.6250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4323    5.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4361    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0508    5.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4208    6.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    6.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2996    5.1541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6426    1.4428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  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> (145)
1737

>  <Formula> (145)
C21H30O4

>  <MolWeight> (145)
346.4605

>  <Cat> (145)
S4752

>  <Name> (145)
Corticosterone

>  <Synonyms> (145)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (145)
Glucocorticoid Receptor

>  <Form> (145)
Free Base

>  <CAS> (145)
50-22-6

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

$$$$
S3617 (20S)-Protopanaxatriol.cdx
csChFnd80/11182016072D

 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> (146)
1764

>  <Formula> (146)
C30H52O4

>  <MolWeight> (146)
476.73148

>  <Cat> (146)
S3617

>  <Name> (146)
(20S)-Protopanaxatriol

>  <Synonyms> (146)
g-PPT, 20(S)-APPT

>  <Target> (146)
GR,ER

>  <Form> (146)
free base

>  <CAS> (146)
34080-08-5

>  <URL> (146)
http://www.selleckchem.com/products/20s-protopanaxatriol.html

$$$$
S3652 3-Nitropropionic acid.cdx
csChFnd80/11182016072D

  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> (147)
1789

>  <Formula> (147)
C3H5NO4

>  <MolWeight> (147)
119.0761

>  <Cat> (147)
S3652

>  <Name> (147)
3-Nitropropionic acid

>  <Synonyms> (147)
¦Â-Nitropropionic Acid, 3-NP

>  <Target> (147)
mitochondrial respiratory Complex II succin

>  <Form> (147)
free base

>  <CAS> (147)
504-88-1

>  <URL> (147)
http://www.selleckchem.com/products/3-nitropropionic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/11182016072D

 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> (148)
1888

>  <Formula> (148)
C6H13NO4

>  <MolWeight> (148)
163.17172

>  <Cat> (148)
S3839

>  <Name> (148)
1-Deoxynojirimycin

>  <Synonyms> (148)
duvoglustat, moranolin

>  <Target> (148)
¦Á-glucosidase

>  <Form> (148)
free base

>  <CAS> (148)
19130-96-2

>  <URL> (148)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/11182016072D

 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> (149)
1905

>  <Formula> (149)
C17H26O4

>  <MolWeight> (149)
294.38594

>  <Cat> (149)
S3836

>  <Name> (149)
6-Gingerol

>  <Synonyms> (149)
CI-1011

>  <Target> (149)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (149)
free base

>  <CAS> (149)
23513-14-6

>  <URL> (149)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3930 Liquiritin.cdx
csChFnd80/11182016072D

 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
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 26 29  1  6  0  0  0
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M  END
>  <Mol_ID> (150)
1936

>  <Formula> (150)
C21H22O9

>  <MolWeight> (150)
418.39398

>  <Cat> (150)
S3930

>  <Name> (150)
Liquiritin

>  <Synonyms> (150)
Liquiritoside, Liquiritigenin-4'-O-glucoside

>  <Target> (150)
Others

>  <Form> (150)
free base

>  <CAS> (150)
551-15-5

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

$$$$
S3812 Monocrotaline.cdx
csChFnd80/11182016072D

 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
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  1 24  1  6  0  0  0
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  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  6  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  1  0  0  0
 16 21  1  6  0  0  0
 16 18  1  0  0  0  0
 18 22  1  6  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (151)
1953

>  <Formula> (151)
C16H23NO6

>  <MolWeight> (151)
325.35692

>  <Cat> (151)
S3812

>  <Name> (151)
Monocrotaline

>  <Synonyms> (151)
Crotaline

>  <Target> (151)
Others

>  <Form> (151)
free base

>  <CAS> (151)
315-22-0

>  <URL> (151)
http://www.selleckchem.com/products/monocrotaline.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/11182016072D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  2 23  2  0  0  0  0
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  3  6  1  0  0  0  0
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  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
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 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (152)
1982

>  <Formula> (152)
C20H24O11

>  <MolWeight> (152)
440.39796

>  <Cat> (152)
S3781

>  <Name> (152)
Ginkgolide C

>  <Synonyms> (152)
BN-52022

>  <Target> (152)
Others

>  <Form> (152)
free base

>  <CAS> (152)
15291-76-6

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

$$$$
Torin 1.cdx
csChFnd80/11182016072D

 45 51  0  0  0  0  0  0  0  0999 V2000
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905973-89-9

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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (158)
2113

>  <Formula> (158)
C10H7NO4

>  <MolWeight> (158)
205.16688

>  <Cat> (158)
S4774

>  <Name> (158)
Xanthurenic Acid

>  <Synonyms> (158)
xanthurenate; 8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid

>  <Target> (158)
mGlu2,mGlu3

>  <Form> (158)
free base

>  <CAS> (158)
59-00-7

>  <URL> (158)
http://www.selleckchem.com/products/xanthurenic-acid.html

$$$$
S4775 Cortodoxone.cdx
csChFnd80/11182016072D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3181    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1062    2.1177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3181    4.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6509    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1201    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6509    4.6391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0784    4.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495    3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    2.1177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
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  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
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 23 24  2  0  0  0  0
  5 25  1  6  0  0  0
  2 26  1  1  0  0  0
  1 27  1  6  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (159)
2114

>  <Formula> (159)
C21H30O4

>  <MolWeight> (159)
346.4605

>  <Cat> (159)
S4775

>  <Name> (159)
Cortodoxone

>  <Synonyms> (159)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (159)
Glucocorticoid Receptor

>  <Form> (159)
free base

>  <CAS> (159)
152-58-9

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

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/11182016072D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9461    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3209    3.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    7.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
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 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
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 20  5  1  0  0  0  0
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 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
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 31 12  1  0  0  0  0
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 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
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 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
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 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
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 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (160)
2216

>  <Formula> (160)
C32H40O8

>  <MolWeight> (160)
552.6552

>  <Cat> (160)
S3832

>  <Name> (160)
Euphorbiasteroid

>  <Synonyms> (160)
Euphorbia factor L1

>  <Target> (160)
Others

>  <Form> (160)
free base

>  <CAS> (160)
28649-59-4

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

$$$$
S3810 Scutellarin.cdx
csChFnd80/11182016072D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    6.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4211    6.3073    0.0000 C   0  0  0  0  0  0  0  0  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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  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
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 11 14  1  0  0  0  0
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 14 16  2  0  0  0  0
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 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
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 25 30  1  1  0  0  0
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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (161)
2289

>  <Formula> (161)
C21H18O12

>  <MolWeight> (161)
462.36042

>  <Cat> (161)
S3810

>  <Name> (161)
Scutellarin

>  <Synonyms> (161)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (161)
Others

>  <Form> (161)
free base

>  <CAS> (161)
27740-01-8

>  <URL> (161)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/11182016072D

 27 26  0  0  0  0  0  0  0  0999 V2000
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1232410-49-9

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Sodium Monofluorophosphate

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Sodium Fluorophosphate

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phosphatase

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Disodium salt

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10163-15-2

>  <URL> (167)
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PI3K

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1201438-56-3

>  <URL> (168)
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SGLT

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864070-44-0

>  <URL> (169)
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1207360-89-1

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 22 23  2  0  0  0  0
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 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (171)
2376

>  <Formula> (171)
C21H16N6O2S2

>  <MolWeight> (171)
448.52074

>  <Cat> (171)
S1118

>  <Name> (171)
XL147 analogue

>  <Synonyms> (171)
SAR245408

>  <Target> (171)
PI3K 

>  <Form> (171)
Free Base

>  <CAS> (171)
956958-53-5

>  <URL> (171)
http://www.selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/11182016072D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (172)
2380

>  <Formula> (172)
C16H15BrClN5O4S

>  <MolWeight> (172)
488.7434

>  <Cat> (172)
S1205

>  <Name> (172)
PIK-75 

>  <Synonyms> (172)
N/A

>  <Target> (172)
PI3K, DNA-PK

>  <Form> (172)
Hydrochloride

>  <CAS> (172)
372196-77-5

>  <URL> (172)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/11182016072D

 31 31  0  0  0  0  0  0  0  0999 V2000
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    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (173)
2385

>  <Formula> (173)
C25H52NO4P

>  <MolWeight> (173)
461.658441

>  <Cat> (173)
S1037

>  <Name> (173)
Perifosine (KRX-0401)

>  <Synonyms> (173)
NSC639966

>  <Target> (173)
Akt

>  <Form> (173)
Free Base

>  <CAS> (173)
157716-52-4

>  <URL> (173)
http://www.selleckchem.com/products/Perifosine.html

$$$$
D-glutamine.cdx
csChFnd80/11182016072D

 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
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  2  9  2  0  0  0  0
  5 10  1  6  0  0  0
M  END
>  <Mol_ID> (174)
2388

>  <Formula> (174)
C5H10N2O3

>  <MolWeight> (174)
146.1445

>  <Cat> (174)
S1893

>  <Name> (174)
D-glutamine

>  <Synonyms> (174)
N/A

>  <Target> (174)
GluR

>  <Form> (174)
Free Base

>  <CAS> (174)
5959-95-5

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

$$$$
bms-707035.cdx
csChFnd80/11182016072D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (175)
2397

>  <Formula> (175)
C18H11N3O2S

>  <MolWeight> (175)
333.36384

>  <Cat> (175)
S1360

>  <Name> (175)
GSK1059615

>  <Synonyms> (175)
N/A

>  <Target> (175)
PI3K, mTOR

>  <Form> (175)
Free Base

>  <CAS> (175)
958852-01-2

>  <URL> (175)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/11182016072D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 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
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
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 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (176)
2421

>  <Formula> (176)
C24H30O6

>  <MolWeight> (176)
414.4914

>  <Cat> (176)
S1707

>  <Name> (176)
Eplerenone

>  <Synonyms> (176)
Inspra

>  <Target> (176)
Glucocorticoid Receptor

>  <Form> (176)
Free Base

>  <CAS> (176)
107724-20-9

>  <URL> (176)
http://www.selleckchem.com/products/Eplerenone(Inspra).html

$$$$
(-)-Huperzine A.cdx
csChFnd80/11182016072D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    4.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014    4.9854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6513    2.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    6.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    7.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    6.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    5.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 10  5  1  0  0  0  0
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  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (177)
2435

>  <Formula> (177)
C15H18N2O

>  <MolWeight> (177)
242.31622

>  <Cat> (177)
S2251

>  <Name> (177)
(-)-Huperzine A (HupA)

>  <Synonyms> (177)
N/A

>  <Target> (177)
AChR & GluR

>  <Form> (177)
Free Base

>  <CAS> (177)
102518-79-6

>  <URL> (177)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

$$$$
ly404039.cdx
csChFnd80/11182016072D

 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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    5.9962    1.3523    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
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  2 12  1  1  0  0  0
  1 13  1  1  0  0  0
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 14  2  1  0  0  0  0
 14 15  1  1  0  0  0
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  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (178)
2443

>  <Formula> (178)
C7H9NO6S

>  <MolWeight> (178)
235.21446

>  <Cat> (178)
S6001

>  <Name> (178)
LY2140023 (LY404039)

>  <Synonyms> (178)
N/A 

>  <Target> (178)
GluR

>  <Form> (178)
Free Base

>  <CAS> (178)
635318-11-5

>  <URL> (178)
http://www.selleckchem.com/products/LY2140023(LY404039).html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/11182016072D

 30 35  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.2951    0.0000 C   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
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  0  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    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9093    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9093    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3342    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3342    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
  7 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 22  1  0  0  0  0
 23 18  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 22 26  1  0  0  0  0
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 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (179)
2455

>  <Formula> (179)
C25H19NO3S

>  <MolWeight> (179)
413.48826

>  <Cat> (179)
S2638

>  <Name> (179)
NU7441(KU-57788)

>  <Synonyms> (179)
N/A 

>  <Target> (179)
DNA-PK, PI3K

>  <Form> (179)
Free Base

>  <CAS> (179)
503468-95-9 

>  <URL> (179)
http://www.selleckchem.com/products/nu7441.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/11182016072D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2620    9.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  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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 10  3  1  0  0  0  0
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  4 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
 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
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 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
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 30 26  1  0  0  0  0
 30 31  2  0  0  0  0
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (180)
2463

>  <Formula> (180)
C23H14Na2O11

>  <MolWeight> (180)
512.3302

>  <Cat> (180)
S1911

>  <Name> (180)
Disodium Cromoglycate

>  <Synonyms> (180)
Gynazole

>  <Target> (180)
Calcium Channel

>  <Form> (180)
Disodium Salt

>  <CAS> (180)
15826-37-6

>  <URL> (180)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

$$$$
AZD8186.cdx
csChFnd80/11182016072D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (181)
2510

>  <Formula> (181)
C24H25F2N3O4

>  <MolWeight> (181)
457.4698064

>  <Cat> (181)
S7694

>  <Name> (181)
AZD8186

>  <Synonyms> (181)
N/A

>  <Target> (181)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (181)
Free Base

>  <CAS> (181)
1627494-13-6

>  <URL> (181)
http://www.selleckchem.com/products/azd8186.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/11182016072D

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  1  2  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (182)
2526

>  <Formula> (182)
C5H6Na2O5

>  <MolWeight> (182)
192.07768

>  <Cat> (182)
S7873

>  <Name> (182)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (182)
N/A

>  <Target> (182)
Others

>  <Form> (182)
disodium salt

>  <CAS> (182)
103404-90-6

>  <URL> (182)
http://www.selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/11182016072D

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 25 33  1  0  0  0  0
 25 34  1  0  0  0  0
M  END
>  <Mol_ID> (183)
2528

>  <Formula> (183)
C24H28N8O2

>  <MolWeight> (183)
460.53152

>  <Cat> (183)
S7103

>  <Name> (183)
GDC-0032

>  <Synonyms> (183)
RG7604

>  <Target> (183)
PI3K

>  <Form> (183)
Free Base

>  <CAS> (183)
1282512-48-4

>  <URL> (183)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
Vidofludimus .cdx
csChFnd80/11182016072D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.7544    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (184)
2535

>  <Formula> (184)
C20H18FNO4

>  <MolWeight> (184)
355.3596232

>  <Cat> (184)
S7262

>  <Name> (184)
Vidofludimus

>  <Synonyms> (184)
SC12267, 4SC-101

>  <Target> (184)
Dehydrogenase

>  <Form> (184)
Free Base

>  <CAS> (184)
717824-30-1

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

$$$$
AZD6738.cdx
csChFnd80/11182016072D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (185)
2543

>  <Formula> (185)
C20H24N6O2S

>  <MolWeight> (185)
412.50856

>  <Cat> (185)
S7693

>  <Name> (185)
AZD6738

>  <Synonyms> (185)
N/A

>  <Target> (185)
ATM/ATR

>  <Form> (185)
Free Base

>  <CAS> (185)
1352226-88-0

>  <URL> (185)
http://www.selleckchem.com/products/azd6738.html

$$$$

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http://www.selleckchem.com/products/su5402.html

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Akt

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Free Base

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612847-09-3

>  <URL> (187)
http://www.selleck.cn/products/akti-1-2.html

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Free Base

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667463-85-6

>  <URL> (188)
http://www.selleck.cn/products/bio-acetoxime.html

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1608125-21-8

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2585

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C6H13NO2

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S3753

>  <Name> (190)
L-Leucine

>  <Synonyms> (190)
(S)-Leucine, Leu

>  <Target> (190)
Others

>  <Form> (190)
free base

>  <CAS> (190)
61-90-5

>  <URL> (190)
http://www.selleckchem.com/products/l-leucine.html

$$$$
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C25H34N8O

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GSK2334470

>  <Synonyms> (191)
N/A

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PDK-1

>  <Form> (191)
Free Base

>  <CAS> (191)
1227911-45-6

>  <URL> (191)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
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2625

>  <Formula> (192)
C16H10BrN3O2

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BIO

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GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (192)
GSK-3

>  <Form> (192)
Free Base

>  <CAS> (192)
667463-62-9

>  <URL> (192)
http://www.selleckchem.com/products/bio.html

$$$$
AZD2858.cdx
csChFnd80/11182016072D

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>  <Form> (193)
Free Base

>  <CAS> (193)
486424-20-8

>  <URL> (193)
http://www.selleckchem.com/products/azd2858.html

$$$$
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csChFnd80/11182016072D

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PluriSIn #1 (NSC 14613)

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N/A

>  <Target> (194)
Dehydrogenase

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Free Base

>  <CAS> (194)
91396-88-2

>  <URL> (194)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

$$$$
CZC24832.cdx
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>  <Target> (195)
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PI3K/Akt/mTORPI3K
PI3K

>  <Form> (195)
Free Base

>  <CAS> (195)
1159824-67-5

>  <URL> (195)
http://www.selleckchem.com/products/czc24832.html

$$$$
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csChFnd80/11182016072D

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2648

>  <Formula> (196)
C23H22FN3O4S

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XL388

>  <Synonyms> (196)
N/A

>  <Target> (196)
mTOR

>  <Form> (196)
Free Base

>  <CAS> (196)
1251156-08-7

>  <URL> (196)
http://www.selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/11182016072D

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C24H27Cl2N5O

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>  <Name> (197)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (197)
BML-275,Compound C

>  <Target> (197)
AMPK

>  <Form> (197)
Dihydrochloride

>  <CAS> (197)
1219168-18-9

>  <URL> (197)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
WZ4003.cdx
csChFnd80/11182016072D

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2735

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C25H29ClN6O3

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WZ4003

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AMPK

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>  <CAS> (198)
1214265-58-3

>  <URL> (198)
http://www.selleckchem.com/products/wz4003.html

$$$$
AZ20.cdx
csChFnd80/11182016072D

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1232416-25-9

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487021-52-3

>  <URL> (201)
http://www.selleckchem.com/products/ar-a014418.html

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676596-65-9

>  <URL> (202)
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1432660-47-3

>  <URL> (203)
http://www.selleckchem.com/products/agi-6780.html

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AZD7545

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Free Base

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252017-04-2

>  <URL> (204)
http://www.selleckchem.com/products/azd7545.html

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/11182016072D

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DMOG

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Dimethyloxalylglycine

>  <Target> (205)
Hydroxylase

>  <Form> (205)
Free Base

>  <CAS> (205)
89464-63-1

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

$$$$
LM-3086.cdx
csChFnd80/11182016072D

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2809

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C17H12N2O

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>  <Target> (206)
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Free Base

>  <CAS> (206)
4382-63-2

>  <URL> (206)
http://www.selleckchem.com/products/pfk15.html

$$$$
HS-173.cdx
csChFnd80/11182016072D

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2810

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C21H18N4O4S

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>  <Target> (207)
PI3K

>  <Form> (207)
Free Base

>  <CAS> (207)
1276110-06-5

>  <URL> (207)
http://www.selleckchem.com/products/hs-173.html

$$$$
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2861

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>  <Synonyms> (208)
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>  <Target> (208)
HIF

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Free Base

>  <CAS> (208)
1227158-85-1

>  <URL> (208)
http://www.selleckchem.com/products/bay-87-2243.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/11182016072D

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2872

>  <Formula> (209)
C19H17NO3

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307.34318

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S7310

>  <Name> (209)
SF1670 (PTEN inhibitor)

>  <Synonyms> (209)
N/A

>  <Target> (209)
PTEN

>  <Form> (209)
Free Base

>  <CAS> (209)
345630-40-2

>  <URL> (209)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (210)
2873

>  <Formula> (210)
C22H20FN3O2

>  <MolWeight> (210)
377.4115032

>  <Cat> (210)
S7566

>  <Name> (210)
IM-12

>  <Synonyms> (210)
N/A

>  <Target> (210)
GSK-3

>  <Form> (210)
Free Base

>  <CAS> (210)
1129669-05-1

>  <URL> (210)
http://www.selleckchem.com/products/im-12.html

$$$$
VS-5584 (SB2343).cdx
csChFnd80/11182016072D

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>  <Mol_ID> (211)
2920

>  <Formula> (211)
C17H22N8O

>  <MolWeight> (211)
354.40958

>  <Cat> (211)
S7016

>  <Name> (211)
VS-5584 (SB2343)

>  <Synonyms> (211)
N/A

>  <Target> (211)
PI3K

>  <Form> (211)
Free Base

>  <CAS> (211)
1246560-33-7

>  <URL> (211)
http://www.selleckchem.com/products/vs-5584-sb2343.html

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (212)
2933

>  <Formula> (212)
C18H28ClN3O5S

>  <MolWeight> (212)
433.95002

>  <Cat> (212)
S4430

>  <Name> (212)
Hydroxychloroquine Sulfate

>  <Synonyms> (212)
N/A

>  <Target> (212)
Autophagy

>  <Form> (212)
Sulfate

>  <CAS> (212)
747-36-4

>  <URL> (212)
http://www.selleckchem.com/products/hydroxychloroquine-sulfate.html

$$$$
PX-478 2HCl.cdx
csChFnd80/11182016072D

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2949

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C13H20Cl4N2O3

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>  <Name> (213)
PX-478 2HCl

>  <Synonyms> (213)
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>  <Target> (213)
HIF

>  <Form> (213)
Dihydrochlorid

>  <CAS> (213)
685898-44-6

>  <URL> (213)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
AT13148.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (214)
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>  <Formula> (214)
C17H16ClN3O

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>  <Cat> (214)
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AT13148

>  <Synonyms> (214)
N/A

>  <Target> (214)
Akt

>  <Form> (214)
Free Base

>  <CAS> (214)
1056901-62-2

>  <URL> (214)
http://www.selleckchem.com/products/at13148.html

$$$$
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C27H31FN6OS

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506.6380432

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S7623

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PI-3065

>  <Synonyms> (215)
N/A

>  <Target> (215)
PI3K

>  <Form> (215)
Free Base

>  <CAS> (215)
955977-50-1

>  <URL> (215)
http://www.selleckchem.com/products/pi-3065.html

$$$$
Bikinin.cdx
csChFnd80/11182016072D

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2979

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C9H9BrN2O3

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Bikinin

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GSK-3

>  <Form> (216)
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>  <CAS> (216)
188011-69-0

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

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GSK-3

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>  <CAS> (217)
603288-22-8

>  <URL> (217)
http://www.selleckchem.com/products/ly2090314.html

$$$$
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PI3K

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Free Base

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934526-89-3

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http://www.selleckchem.com/products/pilaralisib-xl147.html

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1613724-42-7

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BPTES

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N/A

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314045-39-1

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csChFnd80/11182016072D

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3059

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C24H25N5O

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S7840

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Dorsomorphin (Compound C)

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Compound C, BML-275

>  <Target> (226)
AMPK

>  <Form> (226)
Free Base

>  <CAS> (226)
866405-64-3

>  <URL> (226)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$
KC7F2.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (227)
3064

>  <Formula> (227)
C16H16Cl4N2O4S4

>  <MolWeight> (227)
570.38124

>  <Cat> (227)
S7946

>  <Name> (227)
KC7F2

>  <Synonyms> (227)
N/A

>  <Target> (227)
HIF

>  <Form> (227)
Free Base

>  <CAS> (227)
927822-86-4

>  <URL> (227)
http://www.selleckchem.com/products/kc7f2.html

$$$$
STF-31.cdx
csChFnd80/11182016072D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (228)
3068

>  <Formula> (228)
C23H25N3O3S

>  <MolWeight> (228)
423.5279

>  <Cat> (228)
S7931

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STF-31

>  <Synonyms> (228)
N/A

>  <Target> (228)
GLUT1

>  <Form> (228)
Free Base

>  <CAS> (228)
724741-75-7

>  <URL> (228)
http://www.selleckchem.com/products/stf-31.html

$$$$
GSK621.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (229)
3078

>  <Formula> (229)
C26H20ClN3O5

>  <MolWeight> (229)
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GSK621

>  <Synonyms> (229)
N/A

>  <Target> (229)
AMPK

>  <Form> (229)
Free Base

>  <CAS> (229)
1346607-05-3

>  <URL> (229)
http://www.selleckchem.com/products/gsk621.html

$$$$
DASA-58.cdx
csChFnd80/11182016072D

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1203494-49-8

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SGLT

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1018899-04-1

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http://www.selleckchem.com/products/sotagliflozin-lx4211.html

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1802088-50-1

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$$$$
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459147-39-8

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N/A

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PI3K

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Free Base

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934493-76-2

>  <URL> (234)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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FG-2216.cdx
csChFnd80/11182016072D

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HIF

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223387-75-5

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http://www.selleckchem.com/products/fg-2216.html

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PX-12.cdx
csChFnd80/11182016072D

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N/A

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Thioredoxin

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141400-58-0

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http://www.selleckchem.com/products/px-12.html

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Molidustat(BAY 85-3934).cdx
csChFnd80/11182016072D

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C13H14N8O2

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N/A

>  <Target> (237)
HIF

>  <Form> (237)
Free Base

>  <CAS> (237)
1154028-82-6

>  <URL> (237)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/11182016072D

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C19H27N3O6

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N/A

>  <Target> (238)
HIF

>  <Form> (238)
Free Base

>  <CAS> (238)
960539-70-2

>  <URL> (238)
http://www.selleckchem.com/products/daprodustat.html

$$$$
CC-223.cdx
csChFnd80/11182016072D

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mTOR

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

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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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Bempedoic acid|ESP-55016

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AMPK

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Free Base

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738606-46-7

>  <URL> (246)
http://www.selleckchem.com/products/etc-1002.html

$$$$
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>  <Target> (247)
Dehydrogenase

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Free Base

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1446502-11-9

>  <URL> (247)
http://www.selleckchem.com/products/ag-221-enasidenib.html

$$$$
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csChFnd80/11182016072D

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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> (248)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

$$$$
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3244

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C23H26N4O3

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406.47754

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LY3023414

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GTPL8918

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Akt

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Free Base

>  <CAS> (249)
1386874-06-1

>  <URL> (249)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Verubecestat (MK-8931).cdx
csChFnd80/11182016072D

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>  <Mol_ID> (250)
3253

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C19H18F5N5O5S

>  <MolWeight> (250)
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Verubecestat (MK-8931) Trifluoroacetat

>  <Synonyms> (250)
MK-8931

>  <Target> (250)
BACE

>  <Form> (250)
Trifluoroacetat

>  <CAS> (250)
1286770-55-5(free base)

>  <URL> (250)
http://www.selleckchem.com/products/verubecestat-mk-8931.html

$$$$
VO-Ohpic.cdx
csChFnd80/11182016072D

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3263

>  <Formula> (251)
C12H15N2O11V

>  <MolWeight> (251)
414.1958

>  <Cat> (251)
S8174

>  <Name> (251)
VO-Ohpic trihydrate

>  <Synonyms> (251)
N/A

>  <Target> (251)
Others

>  <Form> (251)
trihydrate

>  <CAS> (251)
476310-60-8

>  <URL> (251)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
Shikonin.cdx
csChFnd80/11182016072D

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3270

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C16H16O5

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Shikonin

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N/A

>  <Target> (252)
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>  <Form> (252)
Free Base

>  <CAS> (252)
517-89-5

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

$$$$
AZD8835.cdx
csChFnd80/11182016072D

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S7966

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AZD8835

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N/A

>  <Target> (253)
PI3K

>  <Form> (253)
Free Base

>  <CAS> (253)
1620576-64-8

>  <URL> (253)
http://www.selleckchem.com/products/azd8835.html

$$$$
Deguelin.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (254)
3287

>  <Formula> (254)
C23H22O6

>  <MolWeight> (254)
394.41718

>  <Cat> (254)
S8132

>  <Name> (254)
Deguelin

>  <Synonyms> (254)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (254)
Akt

>  <Form> (254)
Free Base

>  <CAS> (254)
522-17-8

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

$$$$
S4702 Sarcosine.cdx
csChFnd80/11182016072D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (255)
3289

>  <Formula> (255)
C3H7NO2

>  <MolWeight> (255)
89.09318

>  <Cat> (255)
S4702

>  <Name> (255)
Sarcosine

>  <Synonyms> (255)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (255)
NMDAR

>  <Form> (255)
Free Base

>  <CAS> (255)
107-97-1

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

$$$$
ML390.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (256)
3301

>  <Formula> (256)
C21H21F3N2O3

>  <MolWeight> (256)
406.3982496

>  <Cat> (256)
S8382

>  <Name> (256)
ML390

>  <Synonyms> (256)
N/A

>  <Target> (256)
Dehydrogenase

>  <Form> (256)
Free Base

>  <URL> (256)
http://www.selleckchem.com/products/ml390.html

$$$$
GDC-0084.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (257)
3324

>  <Formula> (257)
C18H22N8O2

>  <MolWeight> (257)
382.41968

>  <Cat> (257)
S8163

>  <Name> (257)
GDC-0084

>  <Synonyms> (257)
N/A

>  <Target> (257)
PI3K

>  <Form> (257)
Free Base

>  <CAS> (257)
1382979-44-3

>  <URL> (257)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/11182016072D

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M  END
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3331

>  <Formula> (258)
C16H16N8O

>  <MolWeight> (258)
336.35124

>  <Cat> (258)
S7891

>  <Name> (258)
CC-115

>  <Synonyms> (258)
N/A

>  <Target> (258)
DNA-PK

>  <Form> (258)
Free Base

>  <CAS> (258)
1228013-15-7

>  <URL> (258)
http://www.selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/11182016072D

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125314-13-8

>  <URL> (263)
http://www.selleckchem.com/products/cp21r7-cp21.html

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N/A

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HIF

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Free Base

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170632-47-0

>  <URL> (264)
http://www.selleckchem.com/products/lificiguat-yc-1.html

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PI3K

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Free Base

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1532533-67-7

>  <URL> (265)
http://www.selleckchem.com/products/tgr-1202.html

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HIF

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1187990-87-9
1187990-87-9
1187990-87-9

>  <URL> (266)
http://www.selleckchem.com/products/mk-8617.html

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1286770-55-5

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FKBP1A

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free base

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890405-51-3

>  <URL> (272)
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N/A

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DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

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1174428-47-7

>  <URL> (273)
http://www.selleckchem.com/products/sf2523.html

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PI3K¦Ã

>  <CAS> (274)
1693758-51-8

>  <URL> (274)
http://www.selleckchem.com/products/ipi-549.html

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hSGLT2

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hydrate 

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1201913-82-7

>  <URL> (275)
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>  <Mol_ID> (276)
3465

>  <Formula> (276)
C19H17N5O3

>  <MolWeight> (276)
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>  <Cat> (276)
S8581

>  <Name> (276)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (276)
N/A

>  <Target> (276)
PI3K¦Á 

>  <Form> (276)
Free base

>  <CAS> (276)
1268454-23-4

>  <URL> (276)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (277)
3467

>  <Formula> (277)
C2HCl2NaO2

>  <MolWeight> (277)
150.92391

>  <Cat> (277)
S8615

>  <Name> (277)
Sodium dichloroacetate (DCA)

>  <Synonyms> (277)
bichloroacetic acid, BCA

>  <Target> (277)
PDK

>  <Form> (277)
sodium salt

>  <CAS> (277)
2156-56-1

>  <URL> (277)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
Autophinib.cdx
csChFnd80/11182016072D

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M  END
>  <Mol_ID> (278)
3470

>  <Formula> (278)
C14H11ClN6O3

>  <MolWeight> (278)
346.72854

>  <Cat> (278)
S8596

>  <Name> (278)
Autophinib

>  <Synonyms> (278)
N/A

>  <Target> (278)
autophagy

>  <Form> (278)
free base

>  <CAS> (278)
1644443-47-9

>  <URL> (278)
http://www.selleckchem.com/products/autophinib.html

$$$$
LW 6.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (279)
3472

>  <Formula> (279)
C26H29NO5

>  <MolWeight> (279)
435.51216

>  <Cat> (279)
S8441

>  <Name> (279)
LW 6

>  <Synonyms> (279)
N/A

>  <Target> (279)
HIF-1¦Á

>  <Form> (279)
free base

>  <CAS> (279)
934593-90-5

>  <URL> (279)
http://www.selleckchem.com/products/lw-6.html

$$$$
AG-881.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (280)
3474

>  <Formula> (280)
C14H13ClF6N6

>  <MolWeight> (280)
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>  <Cat> (280)
S8611

>  <Name> (280)
Vorasidenib (AG-881)

>  <Synonyms> (280)
N/A

>  <Target> (280)
IDH1,IDH2 

>  <Form> (280)
free base

>  <CAS> (280)
1644545-52-7

>  <URL> (280)
http://www.selleckchem.com/products/ag-881.html

$$$$
NCT-503.cdx
csChFnd80/11182016072D

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3478

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NCT-503

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N/A

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PHGDH

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free base

>  <CAS> (281)
1916571-90-8

>  <URL> (281)
http://www.selleckchem.com/products/nct-503.html

$$$$
Ipragliflozin(ASP1941).cdx
csChFnd80/11182016072D

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C21H21FO5S

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>  <Name> (282)
Ipragliflozin (ASP1941)

>  <Synonyms> (282)
N/A

>  <Target> (282)
SGLT2 

>  <Form> (282)
free base

>  <CAS> (282)
761423-87-4

>  <URL> (282)
http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
PF-06409577.cdx
csChFnd80/11182016072D

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>  <Mol_ID> (283)
3494

>  <Formula> (283)
C19H16ClNO3

>  <MolWeight> (283)
341.78824

>  <Cat> (283)
S8335

>  <Name> (283)
PF-06409577

>  <Synonyms> (283)
N/A

>  <Target> (283)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (283)
free base

>  <CAS> (283)
1467057-23-3

>  <URL> (283)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/11182016072D

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3497

>  <Formula> (284)
C18H19NO2S2

>  <MolWeight> (284)
345.47896

>  <Cat> (284)
S8616

>  <Name> (284)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (284)
N/A

>  <Target> (284)
PKM2

>  <Form> (284)
free base

>  <CAS> (284)
94164-88-2

>  <URL> (284)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
3PO.cdx
csChFnd80/11182016072D

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3527

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C13H10N2O

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210.2313

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S7639

>  <Name> (285)
3PO

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3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (285)
PFKFB3

>  <Form> (285)
free base

>  <CAS> (285)
18550-98-6

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

$$$$
S5146 3-Methylpyrazole.cdx
csChFnd80/11182016072D

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3528

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C4H6N2

>  <MolWeight> (286)
82.10384

>  <Cat> (286)
S5146

>  <Name> (286)
3-Methylpyrazole

>  <Synonyms> (286)
3-MP

>  <Target> (286)
Others

>  <Form> (286)
free base

>  <CAS> (286)
1453-58-3

>  <URL> (286)
http://www.selleckchem.com/products/3-methylpyrazole.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/11182016072D

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    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    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
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 10  5  1  0  0  0  0
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 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (287)
3685

>  <Formula> (287)
C23H18FN5O2

>  <MolWeight> (287)
415.4197232

>  <Cat> (287)
S8672

>  <Name> (287)
Tenalisib (RP6530)

>  <Synonyms> (287)
N/A

>  <Target> (287)
PI3K

>  <Form> (287)
free base

>  <CAS> (287)
1639417-53-0

>  <URL> (287)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
S5097 Methotrexate disodium.cdx
csChFnd80/11182016072D

 35 35  0  0  0  0  0  0  0  0999 V2000
   21.7944    4.8951    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.2073    7.0895    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   15.7940    6.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7940    4.9059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0065    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2189    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4313    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4313    2.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 12  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 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
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 29 30  2  0  0  0  0
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 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> (288)
3706

>  <Formula> (288)
C20H20N8Na2O5

>  <MolWeight> (288)
498.40294

>  <Cat> (288)
S5097

>  <Name> (288)
Methotrexate disodium

>  <Synonyms> (288)
N/A

>  <Target> (288)
DHFR,Dehydrogenase

>  <Form> (288)
disodium salt

>  <CAS> (288)
7413-34-5

>  <URL> (288)
http://selleckchem.com/products/methotrexate-disodium.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/11182016072D

 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
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  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  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> (289)
3743

>  <Formula> (289)
C10H16N5O8P

>  <MolWeight> (289)
365.236501

>  <Cat> (289)
S5284

>  <Name> (289)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (289)
5'-Adenylic acid, 5'-AMP

>  <Target> (289)
AMPK

>  <Form> (289)
hydrate 

>  <CAS> (289)
18422-05-4

>  <URL> (289)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/11182016072D

 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
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    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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 13  8  1  0  0  0  0
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 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> (290)
3764

>  <Formula> (290)
C18H16N2O

>  <MolWeight> (290)
276.33244

>  <Cat> (290)
S5313

>  <Name> (290)
SC66

>  <Synonyms> (290)
N/A

>  <Target> (290)
Akt

>  <Form> (290)
free base

>  <CAS> (290)
871361-88-5

>  <URL> (290)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/11182016072D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    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
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
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 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 21  1  0  0  0  0
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 23 30  1  0  0  0  0
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 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> (291)
3770

>  <Formula> (291)
C27H32FN5O2

>  <MolWeight> (291)
477.5736832

>  <Cat> (291)
S8680

>  <Name> (291)
AZD1390

>  <Synonyms> (291)
N/A

>  <Target> (291)
ATM/ATR

>  <Form> (291)
free base

>  <CAS> (291)
2089288-03-7

>  <URL> (291)
http://selleckchem.com/products/azd1390.html

$$$$
bpV (HOpic).cdx
csChFnd80/11182016072D

 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> (292)
3823

>  <Formula> (292)
C6H4K2NO8V

>  <MolWeight> (292)
347.23596

>  <Cat> (292)
S8651

>  <Name> (292)
bpV (HOpic)

>  <Synonyms> (292)
Bisperoxovanadium(HOpic)

>  <Target> (292)
PTEN

>  <Form> (292)
potassium 

>  <CAS> (292)
722494-26-0

>  <URL> (292)
http://selleckchem.com/products/bpv-hopic.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/11182016072D

 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> (293)
3831

>  <Formula> (293)
C21H28O2

>  <MolWeight> (293)
312.44582

>  <Cat> (293)
S3792

>  <Name> (293)
Guggulsterone E&Z

>  <Synonyms> (293)
N/A

>  <Target> (293)
FXR

>  <Form> (293)
free base

>  <CAS> (293)
95975-55-6

>  <URL> (293)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/11182016072D

 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> (294)
3848

>  <Formula> (294)
C3H8NO6P

>  <MolWeight> (294)
185.072481

>  <Cat> (294)
S5137

>  <Name> (294)
O-Phospho-L-serine

>  <Synonyms> (294)
Dexfosfoserine

>  <Target> (294)
GluR

>  <Form> (294)
free base

>  <CAS> (294)
407-41-0

>  <URL> (294)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5325 Nitisinone.cdx
csChFnd80/11182016072D

 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> (295)
3852

>  <Formula> (295)
C14H10F3NO5

>  <MolWeight> (295)
329.2281096

>  <Cat> (295)
S5325

>  <Name> (295)
Nitisinone

>  <Synonyms> (295)
N/A

>  <Target> (295)
Others

>  <Form> (295)
free base

>  <CAS> (295)
104206-65-7

>  <URL> (295)
http://selleckchem.com/products/nitisinone.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/11182016072D

 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> (296)
3888

>  <Formula> (296)
C22H42O2

>  <MolWeight> (296)
338.56768

>  <Cat> (296)
S5383

>  <Name> (296)
Erucic acid

>  <Synonyms> (296)
cis-13-docosenoic acid

>  <Target> (296)
Others

>  <Form> (296)
free base

>  <CAS> (296)
112-86-7

>  <URL> (296)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5425 Phenylglyoxal hydrate.cdx
csChFnd80/11182016072D

 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> (297)
3900

>  <Formula> (297)
C8H8O3

>  <MolWeight> (297)
152.14732

>  <Cat> (297)
S5425

>  <Name> (297)
Phenylglyoxal hydrate

>  <Synonyms> (297)
1-Phenylethanedione hydrate

>  <Target> (297)
Dehydrogenase

>  <Form> (297)
free base

>  <CAS> (297)
1075-06-5

>  <URL> (297)
http://selleckchem.com/products/phenylglyoxal-hydrate.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/11182016072D

  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> (298)
3901

>  <Formula> (298)
C3H3BrO3

>  <MolWeight> (298)
166.95812

>  <Cat> (298)
S5426

>  <Name> (298)
Bromopyruvic acid

>  <Synonyms> (298)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (298)
Others

>  <Form> (298)
free base

>  <CAS> (298)
1113-59-3

>  <URL> (298)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/11182016072D

 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
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 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> (299)
3923

>  <Formula> (299)
C20H20O4

>  <MolWeight> (299)
324.3704

>  <Cat> (299)
S5456

>  <Name> (299)
Isobavachalcone

>  <Synonyms> (299)
Corylifolinin

>  <Target> (299)
Anti-infection

>  <Form> (299)
free base

>  <CAS> (299)
20784-50-3

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

$$$$
S5486 Fluorometholone.cdx
csChFnd80/11182016072D

 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
    8.0953    8.3986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (300)
3941

>  <Formula> (300)
C22H29FO4

>  <MolWeight> (300)
376.4616632

>  <Cat> (300)
S5486

>  <Name> (300)
Fluorometholone

>  <Synonyms> (300)
Oxylone

>  <Target> (300)
Glucocorticoid Receptor

>  <Form> (300)
free base

>  <CAS> (300)
426-13-1

>  <URL> (300)
http://selleckchem.com/products/fluorometholone.html

$$$$
S5518 D-Glucose 6-phosphate disodium salt.cdx
csChFnd80/11182016072D

 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> (301)
3950

>  <Formula> (301)
C6H11Na2O9P

>  <MolWeight> (301)
304.099441

>  <Cat> (301)
S5518

>  <Name> (301)
D-Glucose 6-phosphate disodium salt

>  <Synonyms> (301)
N/A

>  <Target> (301)
Others

>  <Form> (301)
disodium salt

>  <CAS> (301)
3671-99-6

>  <URL> (301)
http://selleckchem.com/products/d-glucose-6-phosphate-disodium-salt.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/11182016072D

  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> (302)
3965

>  <Formula> (302)
C3H7NO3

>  <MolWeight> (302)
105.09258

>  <Cat> (302)
S5545

>  <Name> (302)
DL-Serine

>  <Synonyms> (302)
N/A

>  <Target> (302)
PKM

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

>  <URL> (302)
http://selleckchem.com/products/dl-serine.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/11182016072D

 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
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 13 14  2  0  0  0  0
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 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> (303)
3977

>  <Formula> (303)
C24H35ClO9

>  <MolWeight> (303)
502.9823

>  <Cat> (303)
S5566

>  <Name> (303)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (303)
N/A

>  <Target> (303)
SGLT

>  <Form> (303)
monohydrate

>  <CAS> (303)
960404-48-2

>  <URL> (303)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S5360 Diflorasone.cdx
csChFnd80/11182016072D

 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
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    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
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   10.8199    4.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3168    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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  8 17  1  1  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
 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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 18 24  1  1  0  0  0
 20 25  1  0  0  0  0
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 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> (304)
4040

>  <Formula> (304)
C22H28F2O5

>  <MolWeight> (304)
410.4515264

>  <Cat> (304)
S5360

>  <Name> (304)
Diflorasone

>  <Synonyms> (304)
N/A

>  <Target> (304)
Glucocorticoid receptor

>  <Form> (304)
free base

>  <CAS> (304)
2557-49-5

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

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/11182016072D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.2455    2.8361    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8009    4.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    4.1700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3795    2.8963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8535    1.5365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2702    1.4208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8704    0.1560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3633    5.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0324    4.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    4.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4579    2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6632    2.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    2.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8885    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6638    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1010    0.0069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1012    2.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3138    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5242    2.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7369    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7349    0.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5287    0.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3216    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9474    0.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1569    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3708    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    5.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  6  0  0  0
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  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18 13  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  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> (305)
4050

>  <Formula> (305)
C22H25ClO7

>  <MolWeight> (305)
436.8827

>  <Cat> (305)
S5413

>  <Name> (305)
Ertugliflozin

>  <Synonyms> (305)
PF-04971729?

>  <Target> (305)
SGLT2

>  <Form> (305)
free base

>  <CAS> (305)
1210344-57-2

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

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/11182016072D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.3139    4.1415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3139    2.7574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6501    4.5460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1057    4.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897    2.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.4913    3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0450    4.5494    0.0000 O   0  0  0  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
   10.7211    7.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0736    7.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4330    9.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1 31  1  1  0  0  0
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  3 23  1  6  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  1  0  0  0
  8  9  1  0  0  0  0
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 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
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 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
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 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (306)
4067

>  <Formula> (306)
C23H32O6

>  <MolWeight> (306)
404.49658

>  <Cat> (306)
S5501

>  <Name> (306)
Hydrocortisone acetate

>  <Synonyms> (306)
Hydrocortisone 21-acetate

>  <Target> (306)
Glucocorticoid receptor

>  <Form> (306)
free base

>  <CAS> (306)
18325

>  <URL> (306)
http://selleckchem.com/products/.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/11182016072D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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> (307)
4129

>  <Formula> (307)
C15H24N2O2

>  <MolWeight> (307)
264.36326

>  <Cat> (307)
S9384

>  <Name> (307)
Sophocarpine Monohydrate

>  <Form> (307)
free base

>  <CAS> (307)
 145572-44-7

$$$$

csChFnd80/11182016072D

 63 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (308)
4212

>  <Formula> (308)
C48H52F2O11S2

>  <MolWeight> (308)
907.0466864

>  <Cat> (308)
S5901

>  <Name> (308)
Canagliflozin hemihydrate

>  <Synonyms> (308)
N/A

>  <Target> (308)
SGLT

>  <Form> (308)
hemihydrate

>  <CAS> (308)
928672-86-0

>  <URL> (308)
http://www.selleckchem.com/products/canagliflozin-hemihydrate.html

$$$$

csChFnd80/11182016072D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (309)
4244

>  <Formula> (309)
C17H16N4O2S2

>  <MolWeight> (309)
372.46454

>  <Cat> (309)
S7302

>  <Name> (309)
TEPP-46 (ML265, CID-44246499, NCGC00186528)

>  <Synonyms> (309)
N/A

>  <Target> (309)
PKM

>  <Form> (309)
Free Base

>  <CAS> (309)
1221186-53-3

>  <URL> (309)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/11182016072D

 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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M  END
>  <Mol_ID> (310)
4251

>  <Formula> (310)
C23H14ClF3N6O

>  <MolWeight> (310)
482.8450696

>  <Cat> (310)
S8560

>  <Name> (310)
Seletalisib (UCB-5857)

>  <Synonyms> (310)
N/A

>  <Target> (310)
PI3K

>  <Form> (310)
Free Base

>  <CAS> (310)
1362850-20-1

>  <URL> (310)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/11182016072D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 19 15  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (311)
4255

>  <Formula> (311)
C24H18ClN3O3

>  <MolWeight> (311)
431.87102

>  <Cat> (311)
S8654

>  <Name> (311)
ex229 (compound 991)

>  <Synonyms> (311)
N/A

>  <Target> (311)
AMPK

>  <Form> (311)
Free Base

>  <CAS> (311)
1219739-36-2

>  <URL> (311)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/11182016072D

 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
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (312)
4265

>  <Formula> (312)
C17H20F3N7O2

>  <MolWeight> (312)
411.3816096

>  <Cat> (312)
S8738

>  <Name> (312)
Bimiralisib (PQR309)

>  <Synonyms> (312)
N/A

>  <Target> (312)
PI3K

>  <Form> (312)
Free Base

>  <CAS> (312)
1225037-39-7

>  <URL> (312)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/11182016072D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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 17 11  1  0  0  0  0
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M  END
>  <Mol_ID> (313)
4271

>  <Formula> (313)
C21H25F3N6O2

>  <MolWeight> (313)
450.4574096

>  <Cat> (313)
S8752

>  <Name> (313)
leniolisib(CDZ 173)

>  <Synonyms> (313)
N/A

>  <Target> (313)
PI3K

>  <Form> (313)
Free Base

>  <CAS> (313)
1354690-24-6

>  <URL> (313)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/11182016072D

 36 41  0  0  0  0  0  0  0  0999 V2000
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 16  9  1  0  0  0  0
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 26  7  1  0  0  0  0
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M  END
>  <Mol_ID> (314)
4278

>  <Formula> (314)
C26H23FN8O

>  <MolWeight> (314)
482.5122232

>  <Cat> (314)
S8764

>  <Name> (314)
IITZ-01

>  <Synonyms> (314)
N/A

>  <Target> (314)
Autophagy

>  <Form> (314)
Free Base

>  <CAS> (314)
1807988-47-1

>  <URL> (314)
http://www.selleckchem.com/products/iitz-01.html

$$$$

csChFnd80/11182016072D

 27 31  0  0  0  0  0  0  0  0999 V2000
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$$$$
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 15 12  1  0  0  0  0
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 23 15  1  0  0  0  0
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 18 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (318)
4405

>  <Formula> (318)
C20H24NO4+

>  <MolWeight> (318)
342.40886

>  <Cat> (318)
S9172

>  <Name> (318)
Phellodendrine

>  <Form> (318)
free base

>  <CAS> (318)
6873-13-8

$$$$
S9190 Oroxin B.cdx
csChFnd80/11182016072D

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   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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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 10  5  1  0  0  0  0
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 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20 19  1  6  0  0  0
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 23 24  1  0  0  0  0
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 22 26  1  6  0  0  0
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 23 28  1  1  0  0  0
 25 29  1  1  0  0  0
  2 30  1  0  0  0  0
 26 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 37 32  1  0  0  0  0
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 35 41  1  1  0  0  0
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M  END
>  <Mol_ID> (319)
4420

>  <Formula> (319)
C27H30O15

>  <MolWeight> (319)
594.5181

>  <Cat> (319)
S9190

>  <Name> (319)
Oroxin B

>  <Form> (319)
free base

>  <CAS> (319)
114482-86-9

$$$$

csChFnd80/11182016072D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.7688    8.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839    7.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533    5.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2077    5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  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
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  2 10  2  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  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
 11 19  1  0  0  0  0
 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
 13 20  2  0  0  0  0
  3 12  2  0  0  0  0
M  END
>  <Mol_ID> (320)
4440

>  <Formula> (320)
C16H11N3O2

>  <MolWeight> (320)
277.27744

>  <Cat> (320)
S2009

>  <Name> (320)
Indirubin-3'-monoxime

>  <Synonyms> (320)
Indirubin-3'-oxime

>  <Target> (320)
CDK

>  <Form> (320)
Free Base

>  <CAS> (320)
160807-49-8

>  <URL> (320)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/11182016072D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 N   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
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (321)
4740

>  <Formula> (321)
C3H7NO2

>  <MolWeight> (321)
89.09318

>  <Cat> (321)
S5526

>  <Name> (321)
¦Â-Alanine

>  <Synonyms> (321)
beta-Alanine, 3-Aminopropanoic acid

>  <Target> (321)
Others

>  <Form> (321)
Free Base

>  <CAS> (321)
107-95-9

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

$$$$

csChFnd80/11182016072D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    1.2451    2.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0877    3.5222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4404    1.4305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 28  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  6 15  1  1  0  0  0
  8 16  1  0  0  0  0
  8 17  1  1  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 16 21  1  1  0  0  0
 16 18  1  0  0  0  0
 18 22  1  6  0  0  0
 19 23  1  0  0  0  0
 20 23  1  0  0  0  0
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 21 25  2  0  0  0  0
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 24 27  1  0  0  0  0
  3 29  1  6  0  0  0
M  END
>  <Mol_ID> (322)
4759

>  <Formula> (322)
C22H29FO4

>  <MolWeight> (322)
376.4616632

>  <Cat> (322)
S5685

>  <Name> (322)
Desoximetasone

>  <Synonyms> (322)
Desoxymethasone, Desoximetasonum

>  <Target> (322)
Glucocorticoid Recep

>  <Form> (322)
Free Base

>  <CAS> (322)
382-67-2

>  <URL> (322)
http://www.selleckchem.com/products/desoximetasone.html

$$$$

csChFnd80/11182016072D

 44 42  0  0  0  0  0  0  0  0999 V2000
   14.5492    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.8509    0.0000 O   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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  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
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 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 28 31  1  0  0  0  0
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 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> (323)
4787

>  <Formula> (323)
C26H52N6O11S

>  <MolWeight> (323)
656.78968

>  <Cat> (323)
S5742

>  <Name> (323)
Deferoxamine mesylate

>  <Synonyms> (323)
desferrioxamine B

>  <Target> (323)
Others

>  <Form> (323)
mesylate

>  <CAS> (323)
138-14-7

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

$$$$

csChFnd80/11182016072D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   14.4688    7.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6944    8.2813    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  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
 23 28  1  0  0  0  0
 25 29  2  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (324)
4792

>  <Formula> (324)
C21H24O9

>  <MolWeight> (324)
420.40986

>  <Cat> (324)
S5748

>  <Name> (324)
4¡ä-Deoxyphlorizin

>  <Synonyms> (324)
N/A

>  <Target> (324)
Others

>  <Form> (324)
Free Base

>  <CAS> (324)
4319-68-0

>  <URL> (324)
http://www.selleckchem.com/products/4-deoxyphlorizin.html

$$$$

csChFnd80/11182016072D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0308    2.5325    0.0000 O   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
    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
  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
  7 10  1  0  0  0  0
  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
 20 21  1  0  0  0  0
 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> (325)
4832

>  <Formula> (325)
C15H11Cl2NO3

>  <MolWeight> (325)
324.15874

>  <Cat> (325)
S5800

>  <Name> (325)
Alda 1

>  <Synonyms> (325)
N/A

>  <Target> (325)
Dehydrogenase

>  <Form> (325)
Free Base

>  <CAS> (325)
349438-38-6

>  <URL> (325)
http://www.selleckchem.com/products/alda-1.html

$$$$

csChFnd80/11182016072D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
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  7 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (326)
4844

>  <Formula> (326)
C12H17N3O3S

>  <MolWeight> (326)
283.34668

>  <Cat> (326)
S5814

>  <Name> (326)
cariporide

>  <Synonyms> (326)
N/A

>  <Target> (326)
Sodium Channel

>  <Form> (326)
Free Base

>  <CAS> (326)
159138-80-4

>  <URL> (326)
http://www.selleckchem.com/products/cariporide.html

$$$$

csChFnd80/11182016072D

 30 34  0  0  0  0  0  0  0  0999 V2000
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   10.7399    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8901    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   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
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  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> (327)
4848

>  <Formula> (327)
C21H16FN7O

>  <MolWeight> (327)
401.3964432

>  <Cat> (327)
S5818

>  <Name> (327)
acalisib (GS-9820)

>  <Synonyms> (327)
CAL-120

>  <Target> (327)
PI3K

>  <Form> (327)
Free Base

>  <CAS> (327)
870281-34-8

>  <URL> (327)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/11182016072D

 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> (328)
4871

>  <Formula> (328)
C27H19ClN2O3

>  <MolWeight> (328)
454.90436

>  <Cat> (328)
S8803

>  <Name> (328)
MK-3903

>  <Synonyms> (328)
N/A

>  <Target> (328)
AMPK

>  <Form> (328)
Free Base

>  <CAS> (328)
1219737-12-8

>  <URL> (328)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/11182016072D

 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> (329)
4985

>  <Formula> (329)
C10H10O2

>  <MolWeight> (329)
162.1852

>  <Cat> (329)
S6221

>  <Name> (329)
Methyl cinnamate

>  <Synonyms> (329)
N/A

>  <Target> (329)
Others

>  <Form> (329)
free base

>  <CAS> (329)
103-26-4

>  <URL> (329)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/11182016072D

  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> (330)
4996

>  <Formula> (330)
C3H5NaO3

>  <MolWeight> (330)
112.05977

>  <Cat> (330)
S6010

>  <Name> (330)
Sodium L-lactate

>  <Synonyms> (330)
N/A

>  <Target> (330)
Others

>  <Form> (330)
free base

>  <CAS> (330)
867-56-1

>  <URL> (330)
http://www.selleck.cn/products/sodium-l-lactate.html

$$$$

csChFnd80/11182016072D

 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> (331)
5009

>  <Formula> (331)
C6H12O6

>  <MolWeight> (331)
180.15588

>  <Cat> (331)
S6028

>  <Name> (331)
¦Á-D-Glucose anhydrous

>  <Synonyms> (331)
N/A

>  <Target> (331)
Others

>  <Form> (331)
free base

>  <CAS> (331)
492-62-6

>  <URL> (331)
http://www.selleck.cn/products/a-d-glucose-anhydrous.html

$$$$

csChFnd80/11182016072D

  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> (332)
5108

>  <Formula> (332)
C5H8O3

>  <MolWeight> (332)
116.11522

>  <Cat> (332)
S6243

>  <Name> (332)
Ethyl pyruvate

>  <Synonyms> (332)
CTI-01

>  <Target> (332)
Immunology & Inflamm

>  <Form> (332)
free base

>  <CAS> (332)
617-35-6

>  <URL> (332)
http://www.selleck.cn/products/ethyl-pyruvate.html

$$$$

csChFnd80/11182016072D

 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> (333)
5118

>  <Formula> (333)
C9H10O2

>  <MolWeight> (333)
150.1745

>  <Cat> (333)
S6254

>  <Name> (333)
Hydrocinnamic acid

>  <Synonyms> (333)
3-phenylpropionic acid, Benzylacetic acid

>  <Target> (333)
Others

>  <Form> (333)
free base

>  <CAS> (333)
501-52-0

>  <URL> (333)
http://www.selleck.cn/products/hydrocinnamic-acid.html

$$$$

csChFnd80/11182016072D

 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
   14.4652   15.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3662   17.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3180   12.8423    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7212   11.5095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9448   10.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7637   17.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8652   15.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   13.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8911   10.3822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9382   12.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6189   12.8095    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.1673   11.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2925   13.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   14.1252    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8005   11.1986    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.0777    9.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278   10.9234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5274   12.5611    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0309    8.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    7.5136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5841    6.9248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909    6.4751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4245    5.5383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0564    5.2559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580    4.5940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4688    3.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1366    3.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7991    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542    2.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8407    4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4888    2.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    0.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5035    0.5007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2096   12.5532    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.3346   14.2303    0.0000 Na  0  3  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  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
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dBET6

>  <Synonyms> (335)
N/A

>  <Target> (335)
Epigenetic Reader Do

>  <Form> (335)
free base

>  <CAS> (335)
1950634-92-0

>  <URL> (335)
http://www.selleck.cn/products/dbet6.html

$$$$

csChFnd80/11182016072D

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N/A

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1890169-95-5

>  <URL> (336)
http://www.selleck.cn/products/upgl00004.html

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1462249-75-7

>  <URL> (337)
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$$$$

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    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> (338)
5238

>  <Formula> (338)
C5H9NO4

>  <MolWeight> (338)
147.12926

>  <Cat> (338)
S6266

>  <Name> (338)
(S)-Glutamic acid

>  <Synonyms> (338)
L-Glutamic acid

>  <Target> (338)
GluR

>  <Form> (338)
free base

>  <CAS> (338)
56-86-0

>  <URL> (338)
http://www.selleck.cn/products/s-glutamic-acid.html

$$$$

csChFnd80/11182016072D

 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
   13.2047    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6047    2.6124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.6927    3.3124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.8195    2.6791    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    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> (339)
5241

>  <Formula> (339)
C6H11Na3O12P2

>  <MolWeight> (339)
406.061172

>  <Cat> (339)
S6290

>  <Name> (339)
D-Fructose-1,6-diphosphate trisodium salt octahydrate

>  <Synonyms> (339)
FBP trisodium salt octahydrate

>  <Target> (339)
Others

>  <Form> (339)
trisodium salt octahydrate

>  <CAS> (339)
38099-82-0

>  <URL> (339)
http://www.selleck.cn/products/d-fructose-1-6-diphosphate-trisodium-salt-octahydrate.html

$$$$

csChFnd80/11182016072D

 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
    9.1002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    6.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (340)
5276

>  <Formula> (340)
C24H29N3O2

>  <MolWeight> (340)
391.50596

>  <Cat> (340)
S2799

>  <Name> (340)
Daporinad (FK866, APO866)

>  <Synonyms> (340)
N/A

>  <Target> (340)
Transferase

>  <Form> (340)
Free Base

>  <CAS> (340)
658084-64-1

>  <URL> (340)
http://www.selleck.cn/products/apo866-fk866.html

$$$$

csChFnd80/11182016072D

 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
    6.0653    6.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4318    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2536   10.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4825    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620   12.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620   11.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4825    4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4318    4.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    6.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8870   11.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199    4.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6744   10.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8868   12.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6743   14.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  7  2  1  0  0  0  0
  3  4  2  0  0  0  0
  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 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
 19 15  1  0  0  0  0
 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
 22 26  2  0  0  0  0
 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> (341)
5320

>  <Formula> (341)
C23H26N6O2

>  <MolWeight> (341)
418.49154

>  <Cat> (341)
S6414

>  <Name> (341)
Apilimod

>  <Synonyms> (341)
STA-5326

>  <Target> (341)
PI3K

>  <Form> (341)
Free Base

>  <CAS> (341)
541550-19-0

>  <URL> (341)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/11182016072D

 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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0028    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  8  9  1  0  0  0  0
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 10  6  1  0  0  0  0
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 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 18 13  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (342)
5323

>  <Formula> (342)
C21H20N4O

>  <MolWeight> (342)
344.4097

>  <Cat> (342)
S6417

>  <Name> (342)
GK921

>  <Synonyms> (342)
N/A

>  <Target> (342)
Glutaminase

>  <Form> (342)
Free Base

>  <CAS> (342)
1025015-40-0

>  <URL> (342)
http://www.selleck.cn/products/gk921.html

$$$$

csChFnd80/11182016072D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    4.8413    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Ufiprazole

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Omeprazole sulfide

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Others

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Free Base

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73590-85-9

>  <URL> (343)
http://www.selleck.cn/products/ufiprazole.html

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Anti-infection

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Free Base

>  <CAS> (344)
23256-30-6

>  <URL> (344)
http://www.selleck.cn/products/nifurtimox.html

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>  <Synonyms> (345)
N/A

>  <Target> (345)
Liver X Receptor

>  <Form> (345)
Free Base

>  <CAS> (345)
1613028-81-1

>  <URL> (345)
http://www.selleck.cn/products/sr9243.html

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N/A

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724440-27-1

>  <URL> (346)
http://www.selleck.cn/products/bay-8002.html

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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (347)
6670

>  <Formula> (347)
C22H19ClN2O6S

>  <MolWeight> (347)
474.91406

>  <Cat> (347)
S6503

>  <Name> (347)
LX2343

>  <Synonyms> (347)
N/A

>  <Target> (347)
BACE

>  <Form> (347)
free base

>  <CAS> (347)
333745-53-2

>  <URL> (347)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/11182016072D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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  4  2  1  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  1  0  0  0  0
 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
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 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 16  2  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (348)
6672

>  <Formula> (348)
C16H15N3O2

>  <MolWeight> (348)
281.3092

>  <Cat> (348)
S6506

>  <Name> (348)
Compound 401

>  <Synonyms> (348)
N/A

>  <Target> (348)
DNA-PK

>  <Form> (348)
free base

>  <CAS> (348)
168425-64-7

>  <URL> (348)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/11182016072D

 32 36  0  0  0  0  0  0  0  0999 V2000
   15.9492    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  7  1  0  0  0  0
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  1 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 29 30  1  0  0  0  0
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 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (349)
6674

>  <Formula> (349)
C24H26N4O3S

>  <MolWeight> (349)
450.55324

>  <Cat> (349)
S6508

>  <Name> (349)
Mitapivat

>  <Synonyms> (349)
AG-348

>  <Target> (349)
PKM

>  <Form> (349)
free base

>  <CAS> (349)
1260075-17-9

>  <URL> (349)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/11182016072D

 34 38  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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 10 11  1  0  0  0  0
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 24 25  2  0  0  0  0
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 21 24  1  0  0  0  0
 17 18  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
 12 30  1  0  0  0  0
 14 34  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (350)
6680

>  <Formula> (350)
C21H28N8O3S2

>  <MolWeight> (350)
504.62882

>  <Cat> (350)
S6516

>  <Name> (350)
GNE-477

>  <Synonyms> (350)
N/A

>  <Target> (350)
PI3K

>  <Form> (350)
free base

>  <CAS> (350)
1032754-81-6

>  <URL> (350)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/11182016072D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (351)
6697

>  <Formula> (351)
C20H14Cl2FN5O2S

>  <MolWeight> (351)
478.3268632

>  <Cat> (351)
S6541

>  <Name> (351)
MTX-211

>  <Synonyms> (351)
N/A

>  <Target> (351)
EGFR

>  <Form> (351)
free base

>  <CAS> (351)
1952236-05-3

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free base

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1513879-21-4

>  <URL> (352)
http://www.selleck.cn/products/bqr695.html

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csChFnd80/11182016072D

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N/A

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PI4K

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free base

>  <CAS> (353)
1513879-19-0

>  <URL> (353)
http://www.selleck.cn/products/kdu691.html

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256925-03-8

>  <URL> (354)
http://www.selleck.cn/products/al082D06.html

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 23 25  0  0  0  0  0  0  0  0999 V2000
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1472624-85-3

>  <URL> (355)
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Free Base

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38136-70-8

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http://www.selleck.cn/products/brevianamide-f.html

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>  <Cat> (357)
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>  <Synonyms> (357)
N/A

>  <Target> (357)
Akt

>  <Form> (357)
Free Base

>  <CAS> (357)
1800070-77-2

>  <URL> (357)
http://www.selleck.cn/products/borussertib.html

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csChFnd80/11182016072D

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6856

>  <Formula> (358)
C18H20N8O2

>  <MolWeight> (358)
380.4038

>  <Cat> (358)
S8843

>  <Name> (358)
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>  <Synonyms> (358)
N/A

>  <Target> (358)
DNA-PK

>  <Form> (358)
Free Base

>  <CAS> (358)
2230820-11-6

>  <URL> (358)
http://www.selleck.cn/products/azd7648.html

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>  <Mol_ID> (359)
6893

>  <Formula> (359)
C19H14F2N4O2

>  <MolWeight> (359)
368.3368664

>  <Cat> (359)
S6650

>  <Name> (359)
EN6

>  <Synonyms> (359)
N/A

>  <Target> (359)
Autophagy

>  <Form> (359)
Free Base

>  <CAS> (359)
1808714-73-9

>  <URL> (359)
http://www.selleck.cn/products/en6.html

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M  END
>  <Mol_ID> (360)
6919

>  <Formula> (360)
C23H21N5O

>  <MolWeight> (360)
383.44574

>  <Cat> (360)
S8500

>  <Name> (360)
BAY1125976

>  <Synonyms> (360)
N/A

>  <Target> (360)
Akt

>  <Form> (360)
Free Base

>  <CAS> (360)
1402608-02-9

>  <URL> (360)
http://www.selleck.cn/products/bay1125976.html

$$$$

csChFnd80/11182016072D

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M  END
>  <Mol_ID> (361)
6929

>  <Formula> (361)
C33H40O18

>  <MolWeight> (361)
724.6599

>  <Cat> (361)
S9096

>  <Name> (361)
ligustroflavone

>  <Synonyms> (361)
Nuezhenoside

>  <Target> (361)
AMPK

>  <Form> (361)
Free Base

>  <CAS> (361)
260413-62-5

>  <URL> (361)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/11182016072D

 60 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (362)
6930

>  <Formula> (362)
C42H66O14

>  <MolWeight> (362)
794.96504

>  <Cat> (362)
S9116

>  <Name> (362)
Chikusetsusaponin Iva

>  <Synonyms> (362)
Calenduloside F

>  <Target> (362)
Immunology & Inflammation related

>  <Form> (362)
Free Base

>  <CAS> (362)
51415-02-2

>  <URL> (362)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/11182016072D

 65 70  0  0  0  0  0  0  0  0999 V2000
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1640294-30-9

>  <URL> (363)
http://www.selleckchem.com/products/asp4132.html

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6985

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C26H23N5O2

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N/A

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Epigenetic Reader Do

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Free Base

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1637771-14-2

>  <URL> (364)
http://www.selleckchem.com/products/alobresib.html

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Free Base

>  <CAS> (365)
1883510-31-3

>  <URL> (365)
http://www.selleckchem.com/products/ml327.html

$$$$

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 31 33  1  0  0  0  0
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 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (366)
7047

>  <Formula> (366)
C25H27N3O6S

>  <MolWeight> (366)
497.56338

>  <Cat> (366)
S0108

>  <Name> (366)
AZ-33

>  <Synonyms> (366)
Az-33, LDHA Inhibitor 33

>  <Target> (366)
LDH

>  <Form> (366)
Free Base

>  <CAS> (366)
1370290-34-8

>  <URL> (366)
http://www.selleckchem.com/products/az-33.html

$$$$

csChFnd80/11182016072D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0  0  0  0
  3 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  3  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 24  1  0  0  0  0
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 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (367)
7113

>  <Formula> (367)
C21H25F2N7O2

>  <MolWeight> (367)
445.4657064

>  <Cat> (367)
S8784

>  <Name> (367)
PQR620

>  <Synonyms> (367)
N/A

>  <Target> (367)
mTOR

>  <Form> (367)
Free Base

>  <CAS> (367)
1927857-56-4

>  <URL> (367)
http://www.selleckchem.com/products/pqr620.html

$$$$

csChFnd80/11182016072D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 12 16  1  0  0  0  0
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M  END
>  <Mol_ID> (368)
7170

>  <Formula> (368)
C22H16ClN3O2

>  <MolWeight> (368)
389.83434

>  <Cat> (368)
S0444

>  <Name> (368)
Indibulin

>  <Target> (368)
Microtubule Associat

>  <Form> (368)
free base

>  <CAS> (368)
204205-90-3

>  <URL> (368)
http://www.selleckchem.com/products/Indibulin.html

$$$$

csChFnd80/11182016072D

 41 42  0  0  0  0  0  0  0  0999 V2000
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 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (369)
7188

>  <Formula> (369)
C25H34N6O8S2

>  <MolWeight> (369)
610.70286

>  <Cat> (369)
S0785

>  <Name> (369)
Apilimod mesylate

>  <Target> (369)
Interleukins

>  <Form> (369)
mesylate

>  <CAS> (369)
870087-36-8

>  <URL> (369)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/11182016072D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    7.2578   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1757    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
  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> (370)
7229

>  <Formula> (370)
C17H18O4

>  <MolWeight> (370)
286.32242

>  <Cat> (370)
S3241

>  <Name> (370)
Loureirin A

>  <Target> (370)
Akt

>  <Form> (370)
free base

>  <CAS> (370)
119425-89-7

>  <URL> (370)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/11182016072D

 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
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 16 17  1  0  0  0  0
 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> (371)
7276

>  <Formula> (371)
C16H12O6

>  <MolWeight> (371)
300.26288

>  <Cat> (371)
S3296

>  <Name> (371)
Hispidulin

>  <Target> (371)
Pim

>  <Form> (371)
free base

>  <CAS> (371)
1447-88-7

>  <URL> (371)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/11182016072D

 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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    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3976    0.0000 O   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
  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> (372)
7279

>  <Formula> (372)
C19H18NO4+

>  <MolWeight> (372)
324.35052

>  <Cat> (372)
S3299

>  <Name> (372)
Demethyleneberberine

>  <Target> (372)
Peroxidases

>  <Form> (372)
free base

>  <CAS> (372)
25459-91-0

>  <URL> (372)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/11182016072D

 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
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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> (373)
7296

>  <Formula> (373)
C27H33ClN2O4

>  <MolWeight> (373)
485.01492

>  <Cat> (373)
S6760

>  <Name> (373)
LM22B-10

>  <Target> (373)
Trk receptor

>  <Form> (373)
free base

>  <CAS> (373)
342777-54-2

>  <URL> (373)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/11182016072D

 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
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   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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    9.5617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4574    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8924    0.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6268    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8869    4.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7041    6.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4041    7.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  2  0  0  0  0
  3 19  1  0  0  0  0
  4 17  1  0  0  0  0
  4 22  2  0  0  0  0
  5 24  1  0  0  0  0
  5 30  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (374)
7301

>  <Formula> (374)
C27H24N6

>  <MolWeight> (374)
432.51966

>  <Cat> (374)
S6811

>  <Name> (374)
Miransertib (ARQ-092)

>  <Target> (374)
Akt

>  <Form> (374)
free base

>  <CAS> (374)
1313881-70-7

>  <URL> (374)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/11182016072D

 38 41  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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7307

>  <Formula> (375)
C30H30O8

>  <MolWeight> (375)
518.5544

>  <Cat> (375)
S6852

>  <Name> (375)
Gossypol

>  <Target> (375)
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>  <Form> (375)
free base

>  <CAS> (375)
303-45-7

>  <URL> (375)
http://www.selleckchem.com/products/gossypol.html

$$$$

csChFnd80/11182016072D

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>  <Mol_ID> (376)
7339

>  <Formula> (376)
C31H25F2N5O7S

>  <MolWeight> (376)
649.6213064

>  <Cat> (376)
S8590

>  <Name> (376)
GSK 2837808A

>  <Target> (376)
Dehydrogenase

>  <Form> (376)
free base

>  <CAS> (376)
1445879-21-9

>  <URL> (376)
http://www.selleckchem.com/products/gsk-2837808A.html

$$$$

csChFnd80/11182016072D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (377)
7347

>  <Formula> (377)
C26H16ClF9N2O2

>  <MolWeight> (377)
594.8560688

>  <Cat> (377)
S8905

>  <Name> (377)
MYCi361

>  <Target> (377)
c-Myc

>  <Form> (377)
free base

>  <CAS> (377)
2289690-31-7

>  <URL> (377)
http://www.selleckchem.com/products/myci361.html

$$$$

csChFnd80/11182016072D

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>  <URL> (378)
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>  <Formula> (379)
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>  <Cat> (379)
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>  <Name> (379)
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>  <Target> (379)
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>  <Form> (379)
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>  <CAS> (379)
1034895-42-5

>  <URL> (379)
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 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (380)
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>  <MolWeight> (380)
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1422365-93-2

>  <URL> (380)
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1613191-99-3

>  <URL> (381)
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$$$$
