untitled.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (1)
21

>  <Formula> (1)
C28H22F3N7O

>  <MolWeight> (1)
529.5157896

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S1033

>  <Name> (1)
Nilotinib (AMN-107)

>  <Synonyms> (1)
AMN-107

>  <Target> (1)
AMPK,Autophagy,Bcr-Abl

>  <Form> (1)
free base

>  <CAS> (1)
641571-10-0

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

$$$$
1.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (2)
26

>  <Formula> (2)
C19H16N4O3

>  <MolWeight> (2)
348.35534

>  <Cat> (2)
S1038

>  <Name> (2)
PI-103

>  <Synonyms> (2)
N/A

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

>  <Form> (2)
free base

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

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

$$$$
RAPAMYCIN.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (3)
27

>  <Formula> (3)
C51H79NO13

>  <MolWeight> (3)
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>  <Cat> (3)
S1039

>  <Name> (3)
Rapamycin (AY-22989)

>  <Synonyms> (3)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (3)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (3)
free base

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

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

$$$$
untitled.cdx
csChFnd80/03292410462D

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   12.2847    2.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4972    3.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4972    5.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2847    5.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5376    5.9481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9681    7.2270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5758    7.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8641    5.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4)
41

>  <Formula> (4)
C23H27N7O3S2

>  <MolWeight> (4)
513.63558

>  <Cat> (4)
S1065

>  <Name> (4)
Pictilisib (GDC-0941)

>  <Synonyms> (4)
RG7321

>  <Target> (4)
Apoptosis related,Autophagy,PI3K

>  <Form> (4)
free base

>  <CAS> (4)
957054-30-7

>  <URL> (4)
http://selleckchem.com/products/GDC-0941.html

$$$$
1.cdx
csChFnd80/03292410462D

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  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
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 13  9  1  0  0  0  0
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 22  8  1  0  0  0  0
  7 23  1  0  0  0  0
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 27  7  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (5)
44

>  <Formula> (5)
C19H21F2N7O2

>  <MolWeight> (5)
417.4125464

>  <Cat> (5)
S1072

>  <Name> (5)
ZSTK474

>  <Synonyms> (5)
N/A

>  <Target> (5)
PI3K

>  <Form> (5)
free base

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

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

$$$$
1.cdx
csChFnd80/03292410462D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (6)
45

>  <Formula> (6)
C19H12Cl2N2O2

>  <MolWeight> (6)
371.21678

>  <Cat> (6)
S1075

>  <Name> (6)
SB216763

>  <Synonyms> (6)
N/A

>  <Target> (6)
Autophagy,GSK-3

>  <Form> (6)
free base

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

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

$$$$

csChFnd80/03292410462D

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M  END
>  <Mol_ID> (7)
48

>  <Formula> (7)
C25H23Cl2N5O

>  <MolWeight> (7)
480.38902

>  <Cat> (7)
S1078

>  <Name> (7)
MK-2206 2HCl

>  <Synonyms> (7)
N/A

>  <Target> (7)
Akt,Apoptosis related,Autophagy

>  <Form> (7)
Dihydrochloride

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

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

$$$$
untitled.cdx
csChFnd80/03292410462D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (8)
56

>  <Formula> (8)
C21H17NO3S2

>  <MolWeight> (8)
395.49458

>  <Cat> (8)
S1092

>  <Name> (8)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (8)
N/A

>  <Target> (8)
ATM/ATR,Autophagy,ULK

>  <Form> (8)
free base

>  <CAS> (8)
587871-26-9

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

$$$$
untitled.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (9)
66

>  <Formula> (9)
C19H17NO3

>  <MolWeight> (9)
307.34318

>  <Cat> (9)
S1105

>  <Name> (9)
LY294002

>  <Synonyms> (9)
SF 1101, NSC 697286

>  <Target> (9)
Apoptosis related,Autophagy,Casein Kinase,DNA-PK,PI3K

>  <Form> (9)
free base

>  <CAS> (9)
154447-36-6

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

$$$$
untitled.cdx
csChFnd80/03292410462D

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 19  8  2  0  0  0  0
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M  END
>  <Mol_ID> (10)
70

>  <Formula> (10)
C28H39N7O3

>  <MolWeight> (10)
521.65436

>  <Cat> (10)
S1109

>  <Name> (10)
BI 2536

>  <Synonyms> (10)
N/A

>  <Target> (10)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Myc,PLK

>  <Form> (10)
free base

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

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

$$$$
Everolimus.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (11)
74

>  <Formula> (11)
C53H83NO14

>  <MolWeight> (11)
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>  <Cat> (11)
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>  <Name> (11)
Everolimus (RAD001)

>  <Synonyms> (11)
RAD001,SDZ-RAD, Afinitor

>  <Target> (11)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (11)
free base

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

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

$$$$
Paclitaxel.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (12)
91

>  <Formula> (12)
C47H51NO14

>  <MolWeight> (12)
853.90614

>  <Cat> (12)
S1150

>  <Name> (12)
Paclitaxel (NSC 125973)

>  <Synonyms> (12)
PTX, Taxol, Onxal, Abraxane,NSC 125973

>  <Target> (12)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Microtubule Associated

>  <Form> (12)
free base

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

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

$$$$
TGX-221.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (13)
98

>  <Formula> (13)
C21H24N4O2

>  <MolWeight> (13)
364.44086

>  <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://selleckchem.com/products/TGX-221.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/03292410462D

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    9.6995    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.5494    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    7.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.6421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.6421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1201   10.0421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077   10.7421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953   10.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    3.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2775    0.0000    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
  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
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 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  9  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 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 17  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 26 32  1  1  0  0  0
 30 33  1  1  0  0  0
 29 34  1  1  0  0  0
 28 35  1  1  0  0  0
 22 36  1  0  0  0  0
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 37 38  1  0  0  0  0
 36 39  2  0  0  0  0
 22 40  1  1  0  0  0
M  END
>  <Mol_ID> (14)
124

>  <Formula> (14)
C27H30ClNO11

>  <MolWeight> (14)
579.9802

>  <Cat> (14)
S1208

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

>  <Synonyms> (14)
NSC 123127, DOX, Doxorubicin hydrochloride, Hydroxydaunorubicin HCl,Adriamycin HCl

>  <Target> (14)
ADC Cytotoxin,AMPK,Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,HIV,Mitophagy,Topoisomerase

>  <Form> (14)
Hydrochloride

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

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

$$$$
KU-0063794.cdx
csChFnd80/03292410462D

 34 38  0  0  0  0  0  0  0  0999 V2000
    4.8413    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3242    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5324    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 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 11  1  0  0  0  0
 13 17  1  6  0  0  0
 15 18  1  6  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (15)
134

>  <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://selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/03292410462D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8410    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5101    5.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 10 21  1  6  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (16)
138

>  <Formula> (16)
C19H26O3

>  <MolWeight> (16)
302.40794

>  <Cat> (16)
S1233

>  <Name> (16)
2-Methoxyestradiol (2-MeOE2)

>  <Synonyms> (16)
NSC 659853, 2-ME2

>  <Target> (16)
Apoptosis related,Autophagy,HIF,Microtubule Associated

>  <Form> (16)
free base

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

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

$$$$
leflunomide.cdx
csChFnd80/03292410462D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.8404    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    5.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.4234    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    6.5161    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4240    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (17)
143

>  <Formula> (17)
C12H9F3N2O2

>  <MolWeight> (17)
270.2072696

>  <Cat> (17)
S1247

>  <Name> (17)
Leflunomide (HWA486)

>  <Synonyms> (17)
HWA486, RS-34821, SU101, Arava

>  <Target> (17)
AhR,Dehydrogenase

>  <Form> (17)
free base

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

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

$$$$
WYE-354.cdx
csChFnd80/03292410462D

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.8329    6.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.9909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.0837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.0861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    8.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   10.2812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   10.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   12.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   13.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660   10.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    6.3535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6535    5.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167    3.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4555    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (18)
156

>  <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://selleckchem.com/products/WYE-354.html

$$$$
Budesonide.cdx
csChFnd80/03292410462D

 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
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    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   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
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 10  5  1  0  0  0  0
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 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (19)
164

>  <Formula> (19)
C25H34O6

>  <MolWeight> (19)
430.53386

>  <Cat> (19)
S1286

>  <Name> (19)
Budesonide

>  <Synonyms> (19)
Labazenit

>  <Target> (19)
Glucocorticoid Receptor

>  <Form> (19)
free base

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

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

$$$$
Deflazacort.cdx
csChFnd80/03292410462D

 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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 10  5  1  0  0  0  0
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 14 24  1  1  0  0  0
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 16 27  1  1  0  0  0
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 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (20)
177

>  <Formula> (20)
C25H31NO6

>  <MolWeight> (20)
441.51674

>  <Cat> (20)
S1888

>  <Name> (20)
Deflazacort

>  <Synonyms> (20)
MDL 458

>  <Target> (20)
Glucocorticoid Receptor

>  <Form> (20)
free base

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

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

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/03292410462D

 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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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14 21  1  1  0  0  0
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 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (21)
197

>  <Formula> (21)
C21H27FO6

>  <MolWeight> (21)
394.4338832

>  <Cat> (21)
S1933

>  <Name> (21)
Triamcinolone

>  <Synonyms> (21)
N/A

>  <Target> (21)
Glucocorticoid Receptor

>  <Form> (21)
free base

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

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

$$$$
Genistein.cdx
csChFnd80/03292410462D

 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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M  END
>  <Mol_ID> (22)
221

>  <Formula> (22)
C15H10O5

>  <MolWeight> (22)
270.2369

>  <Cat> (22)
S1342

>  <Name> (22)
Genistein (NPI 031L)

>  <Synonyms> (22)
NPI 031L

>  <Target> (22)
EGFR,Topoisomerase

>  <Form> (22)
free base

>  <CAS> (22)
446-72-0

>  <URL> (22)
http://selleckchem.com/products/Genistein.html

$$$$
TG100-115.cdx
csChFnd80/03292410462D

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  4  7  1  0  0  0  0
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 13 15  2  0  0  0  0
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 24 14  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (23)
224

>  <Formula> (23)
C18H14N6O2

>  <MolWeight> (23)
346.34276

>  <Cat> (23)
S1352

>  <Name> (23)
TG100-115

>  <Synonyms> (23)
N/A

>  <Target> (23)
PI3K

>  <Form> (23)
free base

>  <CAS> (23)
677297-51-7

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

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/03292410462D

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   15.7253    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1161    2.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3047    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
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M  END
>  <Mol_ID> (24)
232

>  <Formula> (24)
C22H19Cl3N8

>  <MolWeight> (24)
501.79886

>  <Cat> (24)
S2924

>  <Name> (24)
Laduviglusib (CHIR-99021) HCl

>  <Synonyms> (24)
CT99021 HCl

>  <Target> (24)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (24)
Hydrochloride

>  <CAS> (24)
1797989-42-4

>  <URL> (24)
http://selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
resveratrol.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (25)
248

>  <Formula> (25)
C14H12O3

>  <MolWeight> (25)
228.24328

>  <Cat> (25)
S1396

>  <Name> (25)
Resveratrol (SRT501)

>  <Synonyms> (25)
trans-Resveratrol,SRT501

>  <Target> (25)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (25)
free base

>  <CAS> (25)
501-36-0

>  <URL> (25)
http://selleckchem.com/products/Resveratrol.html

$$$$
Trilostane.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (26)
254

>  <Formula> (26)
C20H27NO3

>  <MolWeight> (26)
329.43328

>  <Cat> (26)
S1404

>  <Name> (26)
Trilostane

>  <Synonyms> (26)
WIN 24540

>  <Target> (26)
Dehydrogenase

>  <Form> (26)
free base

>  <CAS> (26)
13647-35-3

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

$$$$
FG-4592.cdx
csChFnd80/03292410462D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    2.4207    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (27)
283

>  <Formula> (27)
C19H16N2O5

>  <MolWeight> (27)
352.34074

>  <Cat> (27)
S1007

>  <Name> (27)
Roxadustat (FG-4592)

>  <Synonyms> (27)
ASP1517

>  <Target> (27)
Ferroptosis,HIF

>  <Form> (27)
free base

>  <CAS> (27)
808118-40-3

>  <URL> (27)
http://selleckchem.com/products/fg-4592.html

$$$$

csChFnd80/03292410462D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.1936   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4060   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6184   -4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6184   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4060   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   -5.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9853   -2.8023    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9853   -5.5974    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9753   -6.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7729   -6.2974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9730   -6.9898    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3424   -7.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1056   -5.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7023   -9.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878   -4.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8926   -4.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7999   -3.1810    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
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  7 12  1  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  7  2  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  9 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> (28)
303

>  <Formula> (28)
C14H16ClN3O4S2

>  <MolWeight> (28)
389.87754

>  <Cat> (28)
S1489

>  <Name> (28)
PIK-93

>  <Synonyms> (28)
N/A

>  <Target> (28)
PI4K

>  <Form> (28)
free base

>  <CAS> (28)
593960-11-3

>  <URL> (28)
http://selleckchem.com/products/PIK-93.html

$$$$
CELESTONE (betamethasone).cdx
csChFnd80/03292410462D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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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    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
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    3.6331    3.5000    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
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    7.2704    1.4000    0.0000 H   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
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9642    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9777    6.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3118    6.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6301    6.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    4.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
  5 19  1  1  0  0  0
 11 20  1  6  0  0  0
 10 21  1  1  0  0  0
 12 22  1  6  0  0  0
 17 23  1  1  0  0  0
 15 24  1  1  0  0  0
 13 25  1  1  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 18 30  1  6  0  0  0
M  END
>  <Mol_ID> (29)
306

>  <Formula> (29)
C22H29FO5

>  <MolWeight> (29)
392.4610632

>  <Cat> (29)
S1500

>  <Name> (29)
Betamethasone

>  <Synonyms> (29)
NSC-39470, SCH-4831

>  <Target> (29)
Glucocorticoid Receptor

>  <Form> (29)
Free Base

>  <CAS> (29)
378-44-9

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

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/03292410462D

 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
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8370    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0453    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8370    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2535    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4617    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    4.1951    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  2  1  0  0  0  0
  4 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
  7 13  2  0  0  0  0
  3 14  1  0  0  0  0
  6 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (30)
307

>  <Formula> (30)
C23H31NO7

>  <MolWeight> (30)
433.49474

>  <Cat> (30)
S1501

>  <Name> (30)
Mycophenolate mofetil (RS-61443)

>  <Synonyms> (30)
Mycophenolic acid morpholinoethyl ester, CellCept, RS 61443, TM-MMF

>  <Target> (30)
Apoptosis related,Dehydrogenase

>  <Form> (30)
free base

>  <CAS> (30)
128794-94-5

>  <URL> (30)
http://selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

$$$$
P529.cdx
csChFnd80/03292410462D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4024    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1024    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6146    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3171    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6146    6.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097    6.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3171    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7219    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (31)
313

>  <Formula> (31)
C24H22O6

>  <MolWeight> (31)
406.42788

>  <Cat> (31)
S2238

>  <Name> (31)
Palomid 529 (P529)

>  <Synonyms> (31)
SG 00529

>  <Target> (31)
mTOR

>  <Form> (31)
free base

>  <CAS> (31)
914913-88-5

>  <URL> (31)
http://selleckchem.com/products/Palomid-529-P529.html

$$$$
XL-765.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (32)
314

>  <Formula> (32)
C31H29N5O6S

>  <MolWeight> (32)
599.65686

>  <Cat> (32)
S1523

>  <Name> (32)
Voxtalisib (XL765) Analogue

>  <Synonyms> (32)
SAR245409

>  <Target> (32)
mTOR,PI3K

>  <Form> (32)
free base

>  <CAS> (32)
1349796-36-6

>  <URL> (32)
http://selleckchem.com/products/XL765(SAR245409).html

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/03292410462D

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>  <Mol_ID> (33)
330

>  <Formula> (33)
C21H25ClO6

>  <MolWeight> (33)
408.8726

>  <Cat> (33)
S1548

>  <Name> (33)
Dapagliflozin (BMS-512148)

>  <Synonyms> (33)
BMS-512148

>  <Target> (33)
SGLT

>  <Form> (33)
free base

>  <CAS> (33)
461432-26-8

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

$$$$
AZD 8055.cdx
csChFnd80/03292410462D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
335

>  <Formula> (34)
C25H31N5O4

>  <MolWeight> (34)
465.54474

>  <Cat> (34)
S1555

>  <Name> (34)
AZD8055

>  <Synonyms> (34)
N/A

>  <Target> (34)
Apoptosis related,Autophagy,mTOR

>  <Form> (34)
free base

>  <CAS> (34)
1009298-09-2

>  <URL> (34)
http://selleckchem.com/products/AZD8055.html

$$$$
PHT-427.cdx
csChFnd80/03292410462D

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   11.6581    8.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7581   10.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1581   10.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8581   11.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2581   11.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9581   12.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3581   12.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
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  2 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (35)
337

>  <Formula> (35)
C20H31N3O2S2

>  <MolWeight> (35)
409.60904

>  <Cat> (35)
S1556

>  <Name> (35)
PHT-427

>  <Synonyms> (35)
CS-0223

>  <Target> (35)
Akt,PDPK1

>  <Form> (35)
free base

>  <CAS> (35)
1191951-57-1

>  <URL> (35)
http://selleckchem.com/products/PHT-427.html

$$$$
AT7867.cdx
csChFnd80/03292410462D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    3.6331    9.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5447    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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
  8 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  8  1  0  0  0  0
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 19 20  2  0  0  0  0
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  1 24  1  0  0  0  0
M  END
>  <Mol_ID> (36)
340

>  <Formula> (36)
C20H20ClN3

>  <MolWeight> (36)
337.8459

>  <Cat> (36)
S1558

>  <Name> (36)
AT7867

>  <Synonyms> (36)
N/A

>  <Target> (36)
Akt,S6 Kinase

>  <Form> (36)
free base

>  <CAS> (36)
857531-00-1

>  <URL> (36)
http://selleckchem.com/products/AT7867.html

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/03292410462D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0908    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6033    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908    0.8876    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  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  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (37)
365

>  <Formula> (37)
C8H5F3N2OS

>  <MolWeight> (37)
234.1983096

>  <Cat> (37)
S1614

>  <Name> (37)
Riluzole (PK 26124)

>  <Synonyms> (37)
RP-54274, PK 26124

>  <Target> (37)
GluR,Sodium Channel

>  <Form> (37)
free base

>  <CAS> (37)
1744-22-5

>  <URL> (37)
http://selleckchem.com/products/Riluzole(Rilutek).html

$$$$
FERNISONE (prednisone).cdx
csChFnd80/03292410462D

 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  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  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
    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
    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 C   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
   11.0225    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    6.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2308    5.3326    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
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 12 24  1  1  0  0  0
 17 25  1  1  0  0  0
 17 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (38)
369

>  <Formula> (38)
C21H26O5

>  <MolWeight> (38)
358.42814

>  <Cat> (38)
S1622

>  <Name> (38)
Prednisone (NSC-10023)

>  <Synonyms> (38)
Adasone,NSC-10023

>  <Target> (38)
Glucocorticoid Receptor,Immunology & Inflammation related

>  <Form> (38)
free base

>  <CAS> (38)
53-03-2

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

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/03292410462D

 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
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    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
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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
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  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
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 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
 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> (39)
374

>  <Formula> (39)
C24H31FO6

>  <MolWeight> (39)
434.4977432

>  <Cat> (39)
S1628

>  <Name> (39)
Triamcinolone Acetonide

>  <Synonyms> (39)
N/A

>  <Target> (39)
Glucocorticoid Receptor

>  <Form> (39)
free base

>  <CAS> (39)
76-25-5

>  <URL> (39)
http://selleckchem.com/products/Triamcinolone-Acetonide.html

$$$$
Artemisinin.cdx
csChFnd80/03292410462D

 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> (40)
386

>  <Formula> (40)
C15H22O5

>  <MolWeight> (40)
282.33218

>  <Cat> (40)
S1282

>  <Name> (40)
Artemisinin

>  <Synonyms> (40)
Qinghaosu,Artemisinine,Coartem,NSC 369397

>  <Target> (40)
ADC Cytotoxin,Anti-infection

>  <Form> (40)
free base

>  <CAS> (40)
63968-64-9

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

$$$$
AT101.cdx
csChFnd80/03292410462D

 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
    1.2124    5.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6995   13.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   12.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2847   10.1989    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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  1  0  0  0
 17 18  2  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  1  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 15 24  1  0  0  0  0
 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
 20 29  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 10 32  1  0  0  0  0
 17 35  1  0  0  0  0
  7 36  1  0  0  0  0
 22 37  1  0  0  0  0
 12 38  1  0  0  0  0
 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> (41)
388

>  <Formula> (41)
C32H34O10

>  <MolWeight> (41)
578.60636

>  <Cat> (41)
S2812

>  <Name> (41)
(R)-(-)-Gossypol acetic acid

>  <Synonyms> (41)
AT-101 acetic acid, (-)-Gossypol acetic acid, (R)-Gossypol acetic acid

>  <Target> (41)
Apoptosis related,Autophagy,Bcl-2

>  <Form> (41)
free base

>  <CAS> (41)
866541-93-7

>  <URL> (41)
https://www.selleckchem.com/products/at101-acetic-acid.html

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/03292410462D

 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> (42)
399

>  <Formula> (42)
C24H31ClO7

>  <MolWeight> (42)
466.95174

>  <Cat> (42)
S1669

>  <Name> (42)
Loteprednol etabonate

>  <Synonyms> (42)
N/A

>  <Target> (42)
Glucocorticoid Receptor

>  <Form> (42)
free base

>  <CAS> (42)
82034-46-6

>  <URL> (42)
http://selleckchem.com/products/Loteprednol-etabonate.html

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/03292410462D

 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> (43)
405

>  <Formula> (43)
C10H20N2S4

>  <MolWeight> (43)
296.5392

>  <Cat> (43)
S1680

>  <Name> (43)
Disulfiram (NSC 190940)

>  <Synonyms> (43)
NSC 190940, Tetraethylthiuram disulfide, TETD

>  <Target> (43)
Apoptosis related,COVID-19,Dehydrogenase,Pyroptosis

>  <Form> (43)
free base

>  <CAS> (43)
97-77-8

>  <URL> (43)
http://selleckchem.com/products/Disulfiram(Antabuse).html

$$$$
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx
csChFnd80/03292410462D

 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> (44)
408

>  <Formula> (44)
C28H37FO7

>  <MolWeight> (44)
504.5875832

>  <Cat> (44)
S1688

>  <Name> (44)
Betamethasone Dipropionate

>  <Synonyms> (44)
SCH 11460

>  <Target> (44)
Glucocorticoid Receptor

>  <Form> (44)
Free Base

>  <CAS> (44)
5593-20-4

>  <URL> (44)
http://selleckchem.com/products/Betamethasone-Dipropionate(Diprolene).html

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/03292410462D

 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> (45)
409

>  <Formula> (45)
C22H28O5

>  <MolWeight> (45)
372.45472

>  <Cat> (45)
S1689

>  <Name> (45)
Meprednisone

>  <Synonyms> (45)
NSC 527579, SCH 4358

>  <Target> (45)
Glucocorticoid Receptor

>  <Form> (45)
free base

>  <CAS> (45)
1247-42-3

>  <URL> (45)
http://selleckchem.com/products/Betapar(Meprednisone).html

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/03292410462D

 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
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 10 33  1  6  0  0  0
 11 34  1  6  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (46)
410

>  <Formula> (46)
C27H37FO6

>  <MolWeight> (46)
476.5774832

>  <Cat> (46)
S1690

>  <Name> (46)
Betamethasone Valerate

>  <Synonyms> (46)
N/A

>  <Target> (46)
Glucocorticoid Receptor

>  <Form> (46)
free base

>  <CAS> (46)
2152-44-5

>  <URL> (46)
http://selleckchem.com/products/Betamethasone-valerate(Betnovate).html

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/03292410462D

 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> (47)
415

>  <Formula> (47)
C21H30O5

>  <MolWeight> (47)
362.4599

>  <Cat> (47)
S1696

>  <Name> (47)
Hydrocortisone (NSC 10483)

>  <Synonyms> (47)
Cortisol

>  <Target> (47)
Glucocorticoid Receptor

>  <Form> (47)
free base

>  <CAS> (47)
50-23-7

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

$$$$
DESOWEN (desonide).cdx
csChFnd80/03292410462D

 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
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M  END
>  <Mol_ID> (48)
416

>  <Formula> (48)
C24H32O6

>  <MolWeight> (48)
416.50728

>  <Cat> (48)
S1701

>  <Name> (48)
Desonide

>  <Synonyms> (48)
N/A

>  <Target> (48)
Glucocorticoid Receptor

>  <Form> (48)
free base

>  <CAS> (48)
638-94-8

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

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/03292410462D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (49)
434

>  <Formula> (49)
C22H30O5

>  <MolWeight> (49)
374.4706

>  <Cat> (49)
S1733

>  <Name> (49)
Methylprednisolone (NSC-19987)

>  <Synonyms> (49)
NSC-19987,U 7532

>  <Target> (49)
ACE,Apoptosis related,Autophagy,Glucocorticoid Receptor,Immunology & Inflammation related,Interleukins

>  <Form> (49)
free base

>  <CAS> (49)
83-43-2

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

$$$$
CTEP.cdx
csChFnd80/03292410462D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
469

>  <Formula> (50)
C19H13ClF3N3O

>  <MolWeight> (50)
391.7742296

>  <Cat> (50)
S2861

>  <Name> (50)
CTEP (RO4956371)

>  <Synonyms> (50)
N/A

>  <Target> (50)
GluR

>  <Form> (50)
free base

>  <CAS> (50)
871362-31-1

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/03292410462D

 10  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
482

>  <Formula> (51)
C4H12ClN5

>  <MolWeight> (51)
165.62458

>  <Cat> (51)
S1950

>  <Name> (51)
Metformin HCl

>  <Synonyms> (51)
1,1-Dimethylbiguanide HCl

>  <Target> (51)
Autophagy,Carbohydrate Metabolism,JNK,Mitophagy,p38 MAPK

>  <Form> (51)
Hydrochloride

>  <CAS> (51)
1115-70-4

>  <URL> (51)
http://selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Silibinin.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (52)
499

>  <Formula> (52)
C25H22O10

>  <MolWeight> (52)
482.43618

>  <Cat> (52)
S2357

>  <Name> (52)
Silibinin (NSC 651520)

>  <Synonyms> (52)
Silybin, Silibinin A, Silymarin I, Flavobin

>  <Target> (52)
Others

>  <Form> (52)
free base

>  <CAS> (52)
22888-70-6

>  <URL> (52)
http://selleckchem.com/products/Silibinin(Silybin).html

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/03292410462D

 64 69  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (53)
513

>  <Formula> (53)
C42H65NO16

>  <MolWeight> (53)
839.9626

>  <Cat> (53)
S2376

>  <Name> (53)
Ammonium Glycyrrhizinate

>  <Synonyms> (53)
AMGZ, Glycyram, Glycyrrhizin ammonium salt, Glycyrrhizic acid ammonium salt

>  <Target> (53)
Dehydrogenase,High-mobility Group

>  <Form> (53)
Glycyrrhizic acid salt

>  <CAS> (53)
1407-03-0

>  <URL> (53)
http://selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

$$$$
CHIR-98014.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (54)
545

>  <Formula> (54)
C20H17Cl2N9O2

>  <MolWeight> (54)
486.31408

>  <Cat> (54)
S2745

>  <Name> (54)
CHIR-98014

>  <Synonyms> (54)
CT98014

>  <Target> (54)
GSK-3

>  <Form> (54)
free base

>  <CAS> (54)
252935-94-7

>  <URL> (54)
http://selleckchem.com/products/chir-98014.html

$$$$
MK-8245.cdx
csChFnd80/03292410462D

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>  <Synonyms> (55)
N/A

>  <Target> (55)
SCD

>  <Form> (55)
free base

>  <CAS> (55)
1030612-90-8

>  <URL> (55)
http://selleckchem.com/products/mk-8245.html

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>  <Formula> (56)
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>  <MolWeight> (56)
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>  <Cat> (56)
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>  <Name> (56)
BGT226 (NVP-BGT226) maleate

>  <Synonyms> (56)
N/A

>  <Target> (56)
mTOR,PI3K

>  <Form> (56)
maleate

>  <CAS> (56)
1245537-68-1

>  <URL> (56)
http://selleckchem.com/products/nvp-bgt226.html

$$$$
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>  <Mol_ID> (57)
552

>  <Formula> (57)
C25H21N7O3

>  <MolWeight> (57)
467.47934

>  <Cat> (57)
S1219

>  <Name> (57)
YM201636

>  <Synonyms> (57)
N/A

>  <Target> (57)
Autophagy,PI3K,PIKfyve

>  <Form> (57)
free base

>  <CAS> (57)
371942-69-7

>  <URL> (57)
http://selleckchem.com/products/ym201636.html

$$$$
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>  <Mol_ID> (58)
559

>  <Formula> (58)
C23H26IN7O2S

>  <MolWeight> (58)
591.46771

>  <Cat> (58)
S1274

>  <Name> (58)
BX-795

>  <Synonyms> (58)
N/A

>  <Target> (58)
Autophagy,I¦ÊB/IKK,PDPK1,TBK1

>  <Form> (58)
free base

>  <CAS> (58)
702675-74-9

>  <URL> (58)
http://selleckchem.com/products/bx-795.html

$$$$
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M  END
>  <Mol_ID> (59)
560

>  <Formula> (59)
C20H23BrN8O

>  <MolWeight> (59)
471.35362

>  <Cat> (59)
S1275

>  <Name> (59)
BX-912

>  <Synonyms> (59)
N/A

>  <Target> (59)
PDK

>  <Form> (59)
free base

>  <CAS> (59)
702674-56-4

>  <URL> (59)
http://selleckchem.com/products/bx-912.html

$$$$
Canagliflozin.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (60)
567

>  <Formula> (60)
C24H25FO5S

>  <MolWeight> (60)
444.5157032

>  <Cat> (60)
S2760

>  <Name> (60)
Canagliflozin (JNJ 28431754)

>  <Synonyms> (60)
TA 7284

>  <Target> (60)
SGLT

>  <Form> (60)
free base

>  <CAS> (60)
842133-18-0

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

$$$$
CUDC-907.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (61)
568

>  <Formula> (61)
C23H24N8O4S

>  <MolWeight> (61)
508.55286

>  <Cat> (61)
S2759

>  <Name> (61)
Fimepinostat (CUDC-907)

>  <Synonyms> (61)
N/A

>  <Target> (61)
Apoptosis related,HDAC,PI3K

>  <Form> (61)
free base

>  <CAS> (61)
1339928-25-4

>  <URL> (61)
http://selleckchem.com/products/pi3k-hdac-inhibitor-i.html

$$$$
CPI-613.cdx
csChFnd80/03292410462D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (62)
576

>  <Formula> (62)
C22H28O2S2

>  <MolWeight> (62)
388.58652

>  <Cat> (62)
S2776

>  <Name> (62)
Devimistat (CPI-613)

>  <Synonyms> (62)
N/A

>  <Target> (62)
Apoptosis related,Dehydrogenase

>  <Form> (62)
free base

>  <CAS> (62)
95809-78-2

>  <URL> (62)
http://selleckchem.com/products/cpi-613.html

$$$$
AZD2014.cdx
csChFnd80/03292410462D

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>  <Synonyms> (63)
N/A

>  <Target> (63)
Apoptosis related,Autophagy,mTOR

>  <Form> (63)
free base

>  <CAS> (63)
1009298-59-2

>  <URL> (63)
http://selleckchem.com/products/azd2014.html

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>  <Mol_ID> (64)
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>  <MolWeight> (64)
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VU 0357121

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N/A

>  <Target> (64)
GluR

>  <Form> (64)
free base

>  <CAS> (64)
433967-28-3

>  <URL> (64)
http://selleckchem.com/products/vu-0357121.html

$$$$
GDC-0068.cdx
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>  <Mol_ID> (65)
607

>  <Formula> (65)
C24H32ClN5O2

>  <MolWeight> (65)
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>  <Name> (65)
Ipatasertib (GDC-0068)

>  <Synonyms> (65)
RG7440

>  <Target> (65)
Akt

>  <Form> (65)
free base

>  <CAS> (65)
1001264-89-6

>  <URL> (65)
http://selleckchem.com/products/gdc-0068.html

$$$$
Torin 2.cdx
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>  <Mol_ID> (66)
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N/A

>  <Target> (66)
Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

>  <Form> (66)
free base

>  <CAS> (66)
1223001-51-1

>  <URL> (66)
http://selleckchem.com/products/torin-2.html

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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  6  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  2  9  1  6  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
 12 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 17 23  1  0  0  0  0
 16 19  1  0  0  0  0
 15 30  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
>  <Mol_ID> (67)
612

>  <Formula> (67)
C19H22F3N5O2S

>  <MolWeight> (67)
441.4704896

>  <Cat> (67)
S2814

>  <Name> (67)
Alpelisib (BYL719)

>  <Synonyms> (67)
N/A

>  <Target> (67)
PI3K

>  <Form> (67)
free base

>  <CAS> (67)
1217486-61-7

>  <URL> (67)
http://selleckchem.com/products/byl719.html

$$$$
Quercetin.cdx
csChFnd80/03292410462D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    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
  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> (68)
619

>  <Formula> (68)
C15H10O7

>  <MolWeight> (68)
302.2357

>  <Cat> (68)
S2391

>  <Name> (68)
Quercetin (NSC 9221)

>  <Synonyms> (68)
Sophoretin, C.I. 75720

>  <Target> (68)
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src

>  <Form> (68)
Free Base

>  <CAS> (68)
117-39-5

>  <URL> (68)
http://selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
Salidroside.cdx
csChFnd80/03292410462D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  3  8  1  1  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 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 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  2 19  1  6  0  0  0
  4 20  1  6  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (69)
623

>  <Formula> (69)
C14H20O7

>  <MolWeight> (69)
300.3044

>  <Cat> (69)
S2396

>  <Name> (69)
Salidroside

>  <Synonyms> (69)
Rhodioloside

>  <Target> (69)
Mitophagy,mTOR,PREP

>  <Form> (69)
free base

>  <CAS> (69)
10338-51-9

>  <URL> (69)
http://selleckchem.com/products/Salidroside-Rhodioloside.html

$$$$
dextrose.cdx
csChFnd80/03292410462D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  7 12  2  0  0  0  0
M  END
>  <Mol_ID> (70)
628

>  <Formula> (70)
C6H12O6

>  <MolWeight> (70)
180.15588

>  <Cat> (70)
S2123

>  <Name> (70)
Dextrose

>  <Synonyms> (70)
D-glucose

>  <Target> (70)
Others

>  <Form> (70)
free base

>  <CAS> (70)
50-99-7

>  <URL> (70)
http://selleckchem.com/products/Dextrose(D-glucose).html

$$$$
PP442.cdx
csChFnd80/03292410462D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1963    0.0000 N   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 N   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 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2914    0.0000 N   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
    3.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    0.7467    0.0000 C   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
    5.5190    6.3884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    7.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    8.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    7.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    8.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683   10.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368   10.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    9.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6467   11.8918    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  5  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (71)
679

>  <Formula> (71)
C16H16N6O

>  <MolWeight> (71)
308.33784

>  <Cat> (71)
S2218

>  <Name> (71)
Torkinib (PP242)

>  <Synonyms> (71)
N/A

>  <Target> (71)
Apoptosis related,Autophagy,Mitophagy,mTOR

>  <Form> (71)
free base

>  <CAS> (71)
1092351-67-1

>  <URL> (71)
http://selleckchem.com/products/PP242.html

$$$$
(+)-Usniacin.cdx
csChFnd80/03292410462D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.9569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    3.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    3.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3880    2.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9575    3.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346    4.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422    4.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    5.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7020    6.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3450    3.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2081    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5956    1.4204    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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  2  0  0  0  0
  6 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  1  6  0  0  0
M  END
>  <Mol_ID> (72)
683

>  <Formula> (72)
C18H16O7

>  <MolWeight> (72)
344.31544

>  <Cat> (72)
S2252

>  <Name> (72)
(+)-Usniacin

>  <Synonyms> (72)
D-Usnic Acid

>  <Target> (72)
Others

>  <Form> (72)
free base

>  <CAS> (72)
7562-61-0

>  <URL> (72)
http://selleckchem.com/products/Usniacin-D-Usnic-acid.html

$$$$
MPEP.cdx
csChFnd80/03292410462D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  3  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (73)
694

>  <Formula> (73)
C14H11N

>  <MolWeight> (73)
193.24384

>  <Cat> (73)
S2809

>  <Name> (73)
MPEP

>  <Synonyms> (73)
N/A

>  <Target> (73)
GluR

>  <Form> (73)
free base

>  <CAS> (73)
96206-92-7

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

$$$$
Cryptotanshinone.cdx
csChFnd80/03292410462D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  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
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (74)
705

>  <Formula> (74)
C19H20O3

>  <MolWeight> (74)
296.3603

>  <Cat> (74)
S2285

>  <Name> (74)
Cryptotanshinone

>  <Synonyms> (74)
Tanshinone C

>  <Target> (74)
Apoptosis related,Autophagy,STAT

>  <Form> (74)
free base

>  <CAS> (74)
35825-57-1

>  <URL> (74)
http://selleckchem.com/products/Cryptotanshinone.html

$$$$
Emodin.cdx
csChFnd80/03292410462D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    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 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
    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
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    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
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  4 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  5  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  6 17  2  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (75)
711

>  <Formula> (75)
C15H10O5

>  <MolWeight> (75)
270.2369

>  <Cat> (75)
S2295

>  <Name> (75)
Emodin

>  <Synonyms> (75)
N/A

>  <Target> (75)
Dehydrogenase

>  <Form> (75)
free base

>  <CAS> (75)
518-82-1

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

$$$$
Enoxolone.cdx
csChFnd80/03292410462D

 38 42  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  1  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  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 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
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  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> (76)
712

>  <Formula> (76)
C30H46O4

>  <MolWeight> (76)
470.68384

>  <Cat> (76)
S2296

>  <Name> (76)
Enoxolone

>  <Synonyms> (76)
Glycyrrhetin

>  <Target> (76)
Dehydrogenase

>  <Form> (76)
free base

>  <CAS> (76)
471-53-4

>  <URL> (76)
http://selleckchem.com/products/Enoxolone(Glycyrrhetin).html

$$$$
Glycyrrhizic acid.cdx
csChFnd80/03292410462D

 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
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   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   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
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   16.9615   10.4879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.9615   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   12.1159   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    7.6903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   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
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    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  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
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
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 18 26  1  1  0  0  0
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 23 34  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 21 40  1  6  0  0  0
 11 41  1  6  0  0  0
 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
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M  END
>  <Mol_ID> (77)
717

>  <Formula> (77)
C42H62O16

>  <MolWeight> (77)
822.93208

>  <Cat> (77)
S2302

>  <Name> (77)
Glycyrrhizin (NSC 167409)

>  <Synonyms> (77)
N/A

>  <Target> (77)
Dehydrogenase,High-mobility Group,MAO

>  <Form> (77)
free base

>  <CAS> (77)
1405-86-3

>  <URL> (77)
http://selleckchem.com/products/Glycyrrhizic-acid.html

$$$$
Honokiol.cdx
csChFnd80/03292410462D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9903    4.8413    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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  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
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 16 17  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (78)
724

>  <Formula> (78)
C18H18O2

>  <MolWeight> (78)
266.33432

>  <Cat> (78)
S2310

>  <Name> (78)
Honokiol (NSC 293100)

>  <Synonyms> (78)
N/A

>  <Target> (78)
Akt,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,HCV,MEK

>  <Form> (78)
free base

>  <CAS> (78)
35354-74-6

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

$$$$
Oridonin.cdx
csChFnd80/03292410462D

 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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
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 25 26  1  0  0  0  0
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 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (79)
743

>  <Formula> (79)
C20H28O6

>  <MolWeight> (79)
364.43272

>  <Cat> (79)
S2335

>  <Name> (79)
Oridonin (NSC-250682)

>  <Synonyms> (79)
Isodonol, Rubescenin

>  <Target> (79)
Akt,Bacterial

>  <Form> (79)
free base

>  <CAS> (79)
28957-04-2

>  <URL> (79)
http://selleckchem.com/products/Oridonin(Isodonol).html

$$$$
Phloretin.cdx
csChFnd80/03292410462D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 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> (80)
749

>  <Formula> (80)
C15H14O5

>  <MolWeight> (80)
274.26866

>  <Cat> (80)
S2342

>  <Name> (80)
Phloretin (RJC 02792)

>  <Synonyms> (80)
NSC 407292, Dihydronaringenin

>  <Target> (80)
SGLT

>  <Form> (80)
free base

>  <CAS> (80)
60-82-2

>  <URL> (80)
http://selleckchem.com/products/Phloretin(Dihydronaringenin).html

$$$$
Phlorizin.cdx
csChFnd80/03292410462D

 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
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   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
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 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> (81)
750

>  <Formula> (81)
C21H24O10

>  <MolWeight> (81)
436.40926

>  <Cat> (81)
S2343

>  <Name> (81)
Phlorizin

>  <Synonyms> (81)
Phloridzin

>  <Target> (81)
ATPase,SGLT

>  <Form> (81)
free base

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

>  <URL> (81)
http://selleckchem.com/products/Phlorizin(Phloridzin).html

$$$$
Quercetin dihydrate.cdx
csChFnd80/03292410462D

 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> (82)
753

>  <Formula> (82)
C15H14O9

>  <MolWeight> (82)
338.26626

>  <Cat> (82)
S2347

>  <Name> (82)
Quercetin Dihydrate

>  <Synonyms> (82)
Sophoretin

>  <Target> (82)
PI3K,Sirtuin

>  <Form> (82)
Dihydrate

>  <CAS> (82)
6151-25-3

>  <URL> (82)
http://selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/03292410462D

 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> (83)
758

>  <Formula> (83)
C15H12O8

>  <MolWeight> (83)
320.25098

>  <Cat> (83)
S2399

>  <Name> (83)
Dihydromyricetin

>  <Synonyms> (83)
Ampeloptin

>  <Target> (83)
GABA Receptor,ROS

>  <Form> (83)
free base

>  <CAS> (83)
27200-12-0

>  <URL> (83)
http://selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/03292410462D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (84)
761

>  <Formula> (84)
C15H22N2O

>  <MolWeight> (84)
246.34798

>  <Cat> (84)
S2405

>  <Name> (84)
Sophocarpine

>  <Synonyms> (84)
N/A

>  <Target> (84)
Potassium Channel

>  <Form> (84)
free base

>  <CAS> (84)
6483-15-4

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

$$$$
Mycophenolic acid.cdx
csChFnd80/03292410462D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0495    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
  7 14  2  0  0  0  0
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 12 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (85)
794

>  <Formula> (85)
C17H20O6

>  <MolWeight> (85)
320.3371

>  <Cat> (85)
S2487

>  <Name> (85)
Mycophenolic acid

>  <Synonyms> (85)
Mycophenolate, RS-61443

>  <Target> (85)
Antineoplastic and Immunosuppressive Antibiotics,Dehydrogenase,Selection Antibiotics for Transfected Cell

>  <Form> (85)
free base

>  <CAS> (85)
24280-93-1

>  <URL> (85)
http://selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

$$$$
GSK2126458.cdx
csChFnd80/03292410462D

 36 40  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    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    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 N   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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1086062-66-9

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Idelalisib

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>  <Target> (87)
Autophagy,PI3K

>  <Form> (87)
free base

>  <CAS> (87)
870281-82-6

>  <URL> (87)
http://selleckchem.com/products/CAL-101.html

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PI3K

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free base

>  <CAS> (88)
900185-02-6

>  <URL> (88)
http://selleckchem.com/products/PIK-294.html

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Phenformin hydrochloride.cdx
csChFnd80/03292410462D

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>  <Name> (89)
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>  <Synonyms> (89)
Phenethylbiguanide HCl

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AMPK

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Hydrochloride

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834-28-6

>  <URL> (89)
http://selleckchem.com/products/Phenformin-hydrochloride.html

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>  <Formula> (90)
C21H22N6O3

>  <MolWeight> (90)
406.43778

>  <Cat> (90)
S2624

>  <Name> (90)
OSI-027

>  <Synonyms> (90)
ASP4786, CERC 006, AEVI-006

>  <Target> (90)
Autophagy,mTOR

>  <Form> (90)
free base

>  <CAS> (90)
936890-98-1

>  <URL> (90)
http://selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/03292410462D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
846

>  <Formula> (91)
C17H17N7

>  <MolWeight> (91)
319.36378

>  <Cat> (91)
S2622

>  <Name> (91)
PP121

>  <Synonyms> (91)
N/A

>  <Target> (91)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (91)
free base

>  <CAS> (91)
1092788-83-4

>  <URL> (91)
http://selleckchem.com/products/PP121.html

$$$$
Cortisone acetate.cdx
csChFnd80/03292410462D

 32 35  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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  9 10  1  0  0  0  0
 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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  5 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
 17 32  1  6  0  0  0
M  END
>  <Mol_ID> (92)
852

>  <Formula> (92)
C23H30O6

>  <MolWeight> (92)
402.4807

>  <Cat> (92)
S2559

>  <Name> (92)
Cortisone acetate

>  <Synonyms> (92)
Cortone,NSC 49420

>  <Target> (92)
Glucocorticoid Receptor

>  <Form> (92)
free base

>  <CAS> (92)
50-04-4

>  <URL> (92)
http://selleckchem.com/products/Cortisone-acetate-Cortone.html

$$$$
BKM-120.cdx
csChFnd80/03292410462D

 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
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  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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  8 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17  8  1  0  0  0  0
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 16 19  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 18  1  0  0  0  0
M  END
>  <Mol_ID> (93)
855

>  <Formula> (93)
C18H21F3N6O2

>  <MolWeight> (93)
410.3935496

>  <Cat> (93)
S2247

>  <Name> (93)
Buparlisib (BKM120)

>  <Synonyms> (93)
NVP-BKM120

>  <Target> (93)
Apoptosis related,PI3K

>  <Form> (93)
free base

>  <CAS> (93)
944396-07-0

>  <URL> (93)
http://selleckchem.com/products/BKM-120.html

$$$$
CCT128930.cdx
csChFnd80/03292410462D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (94)
862

>  <Formula> (94)
C18H20ClN5

>  <MolWeight> (94)
341.8379

>  <Cat> (94)
S2635

>  <Name> (94)
CCT128930

>  <Synonyms> (94)
N/A

>  <Target> (94)
Akt,Apoptosis related,Autophagy

>  <Form> (94)
free base

>  <CAS> (94)
885499-61-6

>  <URL> (94)
http://selleckchem.com/products/cct128930.html

$$$$
A66.cdx
csChFnd80/03292410462D

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mTOR

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free base

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1062159-35-6

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http://selleckchem.com/products/way-600.html

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free base

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1144068-46-1

>  <URL> (102)
http://selleckchem.com/products/wye-125132.html

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free base

>  <CAS> (103)
601514-19-6

>  <URL> (103)
http://selleckchem.com/products/TWS119.html

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M  END
>  <Mol_ID> (104)
891

>  <Formula> (104)
C21H27N7O3

>  <MolWeight> (104)
425.48418

>  <Cat> (104)
S1113

>  <Name> (104)
GSK690693

>  <Synonyms> (104)
N/A

>  <Target> (104)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (104)
free base

>  <CAS> (104)
937174-76-0

>  <URL> (104)
http://selleckchem.com/products/GSK690693.html

$$$$
LIDEX-E (fluocinonide).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (105)
892

>  <Formula> (105)
C26H32F2O7

>  <MolWeight> (105)
494.5248864

>  <Cat> (105)
S2608

>  <Name> (105)
Fluocinonide

>  <Synonyms> (105)
Vanos,nsc 101791

>  <Target> (105)
Glucocorticoid Receptor

>  <Form> (105)
free base

>  <CAS> (105)
356-12-7

>  <URL> (105)
http://selleckchem.com/products/Fluocinonide(Vanos).html

$$$$
Prednisolone acetate.cdx
csChFnd80/03292410462D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (106)
897

>  <Formula> (106)
C23H30O6

>  <MolWeight> (106)
402.4807

>  <Cat> (106)
S2570

>  <Name> (106)
Prednisolone Acetate

>  <Synonyms> (106)
Omnipred,Prednisolone-21-acetate

>  <Target> (106)
Glucocorticoid Receptor

>  <Form> (106)
free base

>  <CAS> (106)
52-21-1

>  <URL> (106)
http://selleckchem.com/products/Prednisolone-acetate-Omnipred.html

$$$$
A769662.cdx
csChFnd80/03292410462D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (107)
909

>  <Formula> (107)
C20H12N2O3S

>  <MolWeight> (107)
360.38588

>  <Cat> (107)
S2697

>  <Name> (107)
A-769662

>  <Synonyms> (107)
N/A

>  <Target> (107)
AMPK,Fatty Acid Synthase

>  <Form> (107)
free base

>  <CAS> (107)
844499-71-4

>  <URL> (107)
http://selleckchem.com/products/a-769662.html

$$$$
CH2132799.cdx
csChFnd80/03292410462D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (108)
920

>  <Formula> (108)
C15H19N7O3S

>  <MolWeight> (108)
377.42146

>  <Cat> (108)
S2699

>  <Name> (108)
CH5132799

>  <Synonyms> (108)
MEN1611, PA799

>  <Target> (108)
PI3K

>  <Form> (108)
free base

>  <CAS> (108)
1007207-67-1

>  <URL> (108)
http://selleckchem.com/products/ch5132799.html

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GDC 0980.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (109)
921

>  <Formula> (109)
C23H30N8O3S

>  <MolWeight> (109)
498.6011

>  <Cat> (109)
S2696

>  <Name> (109)
Apitolisib (GDC-0980)

>  <Synonyms> (109)
RG7422, GNE 390

>  <Target> (109)
Apoptosis related,Autophagy,mTOR,PI3K

>  <Form> (109)
free base

>  <CAS> (109)
1032754-93-0

>  <URL> (109)
http://selleckchem.com/products/GDC-0980-RG7422.html

$$$$
SB415286.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (110)
932

>  <Formula> (110)
C16H10ClN3O5

>  <MolWeight> (110)
359.7207

>  <Cat> (110)
S2729

>  <Name> (110)
SB415286

>  <Synonyms> (110)
N/A

>  <Target> (110)
Apoptosis related,GSK-3

>  <Form> (110)
free base

>  <CAS> (110)
264218-23-7

>  <URL> (110)
http://selleckchem.com/products/sb-415286.html

$$$$
INK 128.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (111)
933

>  <Formula> (111)
C15H15N7O

>  <MolWeight> (111)
309.3259

>  <Cat> (111)
S2811

>  <Name> (111)
Sapanisertib (MLN0128)

>  <Synonyms> (111)
INK 128,TAK-228

>  <Target> (111)
mTOR

>  <Form> (111)
free base

>  <CAS> (111)
1224844-38-5

>  <URL> (111)
http://selleckchem.com/products/ink128.html

$$$$
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22  7  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (112)
945

>  <Formula> (112)
C22H27N5O4

>  <MolWeight> (112)
425.48088

>  <Cat> (112)
S2743

>  <Name> (112)
PF-04691502

>  <Synonyms> (112)
PF4691502

>  <Target> (112)
Akt,Apoptosis related,mTOR,PI3K

>  <Form> (112)
free base

>  <CAS> (112)
1013101-36-4

>  <URL> (112)
http://selleckchem.com/products/pf-04691502.html

$$$$
Fluticasone propionate.cdx
csChFnd80/03292410462D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    7.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    6.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4268    6.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6350    6.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    8.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    8.1278    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    8.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    7.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    8.1253    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
  7 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 16 27  1  6  0  0  0
 17 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 23 33  1  0  0  0  0
 23 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (113)
950

>  <Formula> (113)
C25H31F3O5S

>  <MolWeight> (113)
500.5708496

>  <Cat> (113)
S1992

>  <Name> (113)
Fluticasone propionate

>  <Synonyms> (113)
CCI-187881

>  <Target> (113)
Glucocorticoid Receptor

>  <Form> (113)
free base

>  <CAS> (113)
80474-14-2

>  <URL> (113)
http://selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

$$$$
Mometasone furoate.cdx
csChFnd80/03292410462D

 37 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9395    7.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0271    6.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3395    7.1974    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    6.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042    6.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5953    8.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3829    8.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3425    7.8198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
M  END
>  <Mol_ID> (114)
955

>  <Formula> (114)
C27H30Cl2O6

>  <MolWeight> (114)
521.4295

>  <Cat> (114)
S1987

>  <Name> (114)
Mometasone furoate

>  <Synonyms> (114)
SCH-32088,mometasone 17-furoate

>  <Target> (114)
Glucocorticoid Receptor

>  <Form> (114)
Furoate

>  <CAS> (114)
83919-23-7

>  <URL> (114)
http://selleckchem.com/products/mometasone-furoate.html

$$$$
Bifonazole.cdx
csChFnd80/03292410462D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    8.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    8.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  8 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  8  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (115)
963

>  <Formula> (115)
C22H18N2

>  <MolWeight> (115)
310.39172

>  <Cat> (115)
S1854

>  <Name> (115)
Bifonazole

>  <Synonyms> (115)
Bay h 4502,(¡À)-bifonazole

>  <Target> (115)
Fungal

>  <Form> (115)
free base

>  <CAS> (115)
60628-96-8

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

$$$$
Clobetasol propionate.cdx
csChFnd80/03292410462D

 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
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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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    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (116)
975

>  <Formula> (116)
C25H32ClFO5

>  <MolWeight> (116)
466.9699832

>  <Cat> (116)
S2584

>  <Name> (116)
Clobetasol propionate

>  <Synonyms> (116)
CGP9555, CCl 4725

>  <Target> (116)
Glucocorticoid Receptor

>  <Form> (116)
free base

>  <CAS> (116)
25122-46-7

>  <URL> (116)
http://selleckchem.com/products/clobetasol-propionate.html

$$$$
Lonidamine.cdx
csChFnd80/03292410462D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
976

>  <Formula> (117)
C15H10Cl2N2O2

>  <MolWeight> (117)
321.1581

>  <Cat> (117)
S2610

>  <Name> (117)
Lonidamine (AF-1890)

>  <Synonyms> (117)
Diclondazolic Acid, DICA

>  <Target> (117)
Carbohydrate Metabolism,Others

>  <Form> (117)
free base

>  <CAS> (117)
50264-69-2

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

$$$$
Gimeracil.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (118)
1002

>  <Formula> (118)
C5H4ClNO2

>  <MolWeight> (118)
145.54376

>  <Cat> (118)
S2055

>  <Name> (118)
Gimeracil

>  <Synonyms> (118)
N/A

>  <Target> (118)
Dehydrogenase

>  <Form> (118)
free base

>  <CAS> (118)
103766-25-2

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

$$$$
ADX47273.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (119)
1018

>  <Formula> (119)
C20H17F2N3O2

>  <MolWeight> (119)
369.3646864

>  <Cat> (119)
S2690

>  <Name> (119)
ADX-47273

>  <Synonyms> (119)
BA 94673139

>  <Target> (119)
GluR

>  <Form> (119)
free base

>  <CAS> (119)
851881-60-2

>  <URL> (119)
http://selleckchem.com/products/adx-47273.html

$$$$
AZD 6482.cdx
csChFnd80/03292410462D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (120)
1046

>  <Formula> (120)
C22H24N4O4

>  <MolWeight> (120)
408.45036

>  <Cat> (120)
S1462

>  <Name> (120)
AZD6482

>  <Synonyms> (120)
KIN-193

>  <Target> (120)
PI3K

>  <Form> (120)
free base

>  <CAS> (120)
1173900-33-8

>  <URL> (120)
http://selleckchem.com/products/azd6482.html

$$$$
Tideglusib.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (121)
1052

>  <Formula> (121)
C19H14N2O2S

>  <MolWeight> (121)
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>  <Cat> (121)
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>  <Name> (121)
Tideglusib (NP031112)

>  <Synonyms> (121)
NP-12

>  <Target> (121)
COVID-19,GSK-3

>  <Form> (121)
free base

>  <CAS> (121)
865854-05-3

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

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (122)
1084

>  <Formula> (122)
C28H37ClO7

>  <MolWeight> (122)
521.04218

>  <Cat> (122)
S3078

>  <Name> (122)
Beclomethasone dipropionate

>  <Synonyms> (122)
Beclometasone dipropionate,Beclovent,Beconase,Vancenase

>  <Target> (122)
Glucocorticoid Receptor

>  <Form> (122)
free base

>  <CAS> (122)
5534-09-8

>  <URL> (122)
http://selleckchem.com/products/beclomethasone-dipropionate.html

$$$$
Pircetam.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (123)
1086

>  <Formula> (123)
C6H10N2O2

>  <MolWeight> (123)
142.1558

>  <Cat> (123)
S3070

>  <Name> (123)
Piracetam

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UCB 6215

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GluR

>  <Form> (123)
free base

>  <CAS> (123)
7491-74-9

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

$$$$
VU 0364770.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (124)
1100

>  <Formula> (124)
C12H9ClN2O

>  <MolWeight> (124)
232.66566

>  <Cat> (124)
S2862

>  <Name> (124)
VU 0364770

>  <Synonyms> (124)
N/A

>  <Target> (124)
GluR

>  <Form> (124)
free base

>  <CAS> (124)
61350-00-3

>  <URL> (124)
http://selleckchem.com/products/vu-0364770.html

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (125)
1102

>  <Formula> (125)
C16H32Br2N2

>  <MolWeight> (125)
412.24668

>  <Cat> (125)
S2860

>  <Name> (125)
IEM 1754 2HBr

>  <Synonyms> (125)
N/A

>  <Target> (125)
GluR

>  <Form> (125)
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>  <CAS> (125)
162831-31-4

>  <URL> (125)
http://selleckchem.com/products/iem-1754-dihydrobromide.html

$$$$
VU 0361737.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (126)
1111

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GluR

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free base

>  <CAS> (126)
1161205-04-4

>  <URL> (126)
http://selleckchem.com/products/vu-0361737.html

$$$$
IOX2.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (127)
1142

>  <Formula> (127)
C19H16N2O5

>  <MolWeight> (127)
352.34074

>  <Cat> (127)
S2919

>  <Name> (127)
IOX2

>  <Synonyms> (127)
JICL38

>  <Target> (127)
HIF

>  <Form> (127)
free base

>  <CAS> (127)
931398-72-0

>  <URL> (127)
http://selleckchem.com/products/iox2.html

$$$$
TDZD-8.cdx
csChFnd80/03292410462D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.0923    0.6457    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (128)
1150

>  <Formula> (128)
C10H10N2O2S

>  <MolWeight> (128)
222.2636

>  <Cat> (128)
S2926

>  <Name> (128)
TDZD-8

>  <Synonyms> (128)
NP 01139

>  <Target> (128)
COVID-19,GSK-3

>  <Form> (128)
free base

>  <CAS> (128)
327036-89-5

>  <URL> (128)
http://selleckchem.com/products/tdzd-8.html

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/03292410462D

 36 40  0  0  0  0  0  0  0  0999 V2000
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   12.1563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6  1  2  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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 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
  5 22  1  1  0  0  0
 14 23  1  1  0  0  0
  9 24  1  1  0  0  0
  7 25  1  1  0  0  0
 12 26  1  1  0  0  0
 17 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
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 35  2  0  0  0  0
  7 36  1  0  0  0  0
M  END
>  <Mol_ID> (129)
1205

>  <Formula> (129)
C24H30F2O6

>  <MolWeight> (129)
452.4882064

>  <Cat> (129)
S2470

>  <Name> (129)
Fluocinolone Acetonide

>  <Synonyms> (129)
Flucort-N

>  <Target> (129)
Glucocorticoid Receptor

>  <Form> (129)
free base

>  <CAS> (129)
67-73-2

>  <URL> (129)
http://selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

$$$$
aicar.cdx
csChFnd80/03292410462D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.8045    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2045    1.1326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  7  1  1  0  0  0
  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
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 14  7  1  0  0  0  0
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M  END
>  <Mol_ID> (130)
1238

>  <Formula> (130)
C9H14N4O5

>  <MolWeight> (130)
258.23126

>  <Cat> (130)
S1802

>  <Name> (130)
AICAR (Acadesine)

>  <Synonyms> (130)
NSC105823, AICA Riboside

>  <Target> (130)
AMPK,Mitophagy

>  <Form> (130)
free base

>  <CAS> (130)
2627-69-2

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

$$$$
isovaleramide.cdx
csChFnd80/03292410462D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (131)
1345

>  <Formula> (131)
C5H11NO

>  <MolWeight> (131)
101.14694

>  <Cat> (131)
S4116

>  <Name> (131)
Isovaleramide

>  <Synonyms> (131)
3-Methylbutanamide

>  <Target> (131)
Dehydrogenase

>  <Form> (131)
free base

>  <CAS> (131)
541-46-8

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

$$$$
teriflunomide.cdx
csChFnd80/03292410462D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4079    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.8173    0.0000 N   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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <Mol_ID> (132)
1376

>  <Formula> (132)
C12H9F3N2O2

>  <MolWeight> (132)
270.2072696

>  <Cat> (132)
S4169

>  <Name> (132)
Teriflunomide

>  <Synonyms> (132)
A77 1726, HMR-1726

>  <Target> (132)
Dehydrogenase,Immunology & Inflammation related

>  <Form> (132)
free base

>  <CAS> (132)
163451-81-8

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

$$$$
flumethasone.cdx
csChFnd80/03292410462D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 16 31  1  6  0  0  0
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M  END
>  <Mol_ID> (133)
1386

>  <Formula> (133)
C22H28F2O5

>  <MolWeight> (133)
410.4515264

>  <Cat> (133)
S4088

>  <Name> (133)
Flumethasone

>  <Synonyms> (133)
RS-2177, NSC-54702,Flumetasone

>  <Target> (133)
Glucocorticoid Receptor

>  <Form> (133)
free base

>  <CAS> (133)
2135-17-3

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

$$$$
Fluorometholone Acetate.cdx
csChFnd80/03292410462D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8201    3.7689    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6401    1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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  8 14  2  0  0  0  0
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 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 15 16  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
  5 27  1  6  0  0  0
  1 28  1  6  0  0  0
 12 29  1  6  0  0  0
 12 30  1  1  0  0  0
  3 31  1  1  0  0  0
  4 32  1  1  0  0  0
  2 33  1  1  0  0  0
 10 34  1  1  0  0  0
M  END
>  <Mol_ID> (134)
1411

>  <Formula> (134)
C24H31FO5

>  <MolWeight> (134)
418.4983432

>  <Cat> (134)
S4228

>  <Name> (134)
Fluorometholone Acetate

>  <Synonyms> (134)
NSC 47438,Oxylone acetate

>  <Target> (134)
Glucocorticoid Receptor

>  <Form> (134)
free base

>  <CAS> (134)
3801-06-7

>  <URL> (134)
http://selleckchem.com/products/fluorometholone-acetate.html

$$$$
Latrepirdine.cdx
csChFnd80/03292410462D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.0379    7.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1705    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7379    9.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3378    9.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4013   10.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365   10.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5992    9.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5357    8.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9052    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6748   10.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5400    8.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4768    9.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0441   10.5870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0379    6.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2461    5.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4586    3.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2461    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0337    3.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0337    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9777   11.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 16 21  2  0  0  0  0
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  1 14  1  0  0  0  0
  6 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (135)
1433

>  <Formula> (135)
C21H27Cl2N3

>  <MolWeight> (135)
392.36518

>  <Cat> (135)
S1245

>  <Name> (135)
Latrepirdine 2HCl

>  <Synonyms> (135)
N/A

>  <Target> (135)
5-HT Receptor,GluR,Histamine Receptor

>  <Form> (135)
Dihydrochloride

>  <CAS> (135)
97657-92-6

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

$$$$
Daidzin.cdx
csChFnd80/03292410462D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    3.4951    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
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7490    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 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
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 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 10 25  2  0  0  0  0
 17 26  1  6  0  0  0
 15 27  1  6  0  0  0
 16 28  1  1  0  0  0
 14 29  1  1  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (136)
1436

>  <Formula> (136)
C21H20O9

>  <MolWeight> (136)
416.3781

>  <Cat> (136)
S2289

>  <Name> (136)
Daidzin

>  <Synonyms> (136)
Daidzoside, Daidzein 7-O-glucoside, Daidzein 7-glucoside

>  <Target> (136)
Dehydrogenase

>  <Form> (136)
Free Base

>  <CAS> (136)
552-66-9

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

$$$$
untitled.cdx
csChFnd80/03292410462D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.2572    1.2898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8425    1.2140    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3420    2.4815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4421    3.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1625    3.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  9  1  0  0  0  0
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 17 21  1  0  0  0  0
  5  8  1  1  0  0  0
  1 23  1  6  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (137)
1440

>  <Formula> (137)
C13H16N6O4

>  <MolWeight> (137)
320.30394

>  <Cat> (137)
S1117

>  <Name> (137)
Triciribine (NSC 154020)

>  <Synonyms> (137)
VD-0002, vqd-002, API-2, TCN

>  <Target> (137)
Akt,DNA/RNA Synthesis,HIV

>  <Form> (137)
free base

>  <CAS> (137)
35943-35-2

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

$$$$
METI-DERM (prednisolone).cdx
csChFnd80/03292410462D

 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
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   11.0183    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9287    5.0637    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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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 11 12  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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 24 26  1  0  0  0  0
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 17 28  1  6  0  0  0
 12 29  1  1  0  0  0
M  END
>  <Mol_ID> (138)
1451

>  <Formula> (138)
C21H28O5

>  <MolWeight> (138)
360.44402

>  <Cat> (138)
S1737

>  <Name> (138)
Prednisolone (NSC-9900)

>  <Synonyms> (138)
NSC-9900

>  <Target> (138)
Glucocorticoid Receptor,Immunology & Inflammation related

>  <Form> (138)
Free Base

>  <CAS> (138)
50-24-8

>  <URL> (138)
http://selleckchem.com/products/Prednisolone(Hydroretrocortine).html

$$$$
Flufenamic acid.cdx
csChFnd80/03292410462D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1870    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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
 11 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (139)
1466

>  <Formula> (139)
C14H10F3NO2

>  <MolWeight> (139)
281.2299096

>  <Cat> (139)
S4268

>  <Name> (139)
Flufenamic acid

>  <Synonyms> (139)
N/A

>  <Target> (139)
Immunology & Inflammation related

>  <Form> (139)
free base

>  <CAS> (139)
530-78-9

>  <URL> (139)
http://selleckchem.com/products/flufenamic-acid.html

$$$$
Dicoumarol.cdx
csChFnd80/03292410462D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511    4.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6475    4.7758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.5758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1359    2.3879    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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  8 13  1  0  0  0  0
 14 15  1  0  0  0  0
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 19 14  2  0  0  0  0
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 22 23  1  0  0  0  0
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 19 25  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (140)
1496

>  <Formula> (140)
C19H12O6

>  <MolWeight> (140)
336.29498

>  <Cat> (140)
S4299

>  <Name> (140)
Dicoumarol

>  <Synonyms> (140)
Dicumarol

>  <Target> (140)
PDHK

>  <Form> (140)
free base

>  <CAS> (140)
66-76-2

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

$$$$
Temsirolimus.cdx
csChFnd80/03292410462D

 73 76  0  0  0  0  0  0  0  0999 V2000
   10.5798   10.2237    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (141)
1511

>  <Formula> (141)
C56H87NO16

>  <MolWeight> (141)
1030.28708

>  <Cat> (141)
S1044

>  <Name> (141)
Temsirolimus (CCI-779)

>  <Synonyms> (141)
NSC 683864,CCI-779

>  <Target> (141)
Apoptosis related,Autophagy,mTOR

>  <Form> (141)
free base

>  <CAS> (141)
162635-04-3

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

$$$$
Gossypol-a ceticacid.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (142)
1531

>  <Formula> (142)
C32H34O10

>  <MolWeight> (142)
578.60636

>  <Cat> (142)
S2303

>  <Name> (142)
Gossypol Acetate

>  <Synonyms> (142)
Gossypol Acetic acid, Pogosin, AT101

>  <Target> (142)
Dehydrogenase

>  <Form> (142)
Acetate

>  <CAS> (142)
12542-36-8

>  <URL> (142)
https://www.selleckchem.com/products/gossypol-acetate.html

$$$$
S1263.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (143)
1535

>  <Formula> (143)
C22H18Cl2N8

>  <MolWeight> (143)
465.33792

>  <Cat> (143)
S1263

>  <Name> (143)
Laduviglusib (CHIR-99021)

>  <Synonyms> (143)
CT99021

>  <Target> (143)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (143)
free base

>  <CAS> (143)
252917-06-9

>  <URL> (143)
http://selleckchem.com/products/CHIR-99021.html

$$$$
Esomeprazole sodium.cdx
csChFnd80/03292410462D

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   13.2860    6.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6860    6.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6836    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (144)
1551

>  <Formula> (144)
C17H18N3NaO3S

>  <MolWeight> (144)
367.39789

>  <Cat> (144)
S2233

>  <Name> (144)
Esomeprazole sodium

>  <Synonyms> (144)
(S)-Omeprazole sodium, (-)-Omeprazole sodium

>  <Target> (144)
ATPase

>  <Form> (144)
Sodium salt

>  <CAS> (144)
161796-78-7

>  <URL> (144)
http://selleckchem.com/products/esomeprazole-sodium.html

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/03292410462D

 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
    2.4165    4.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8016    0.0000 S   0  0  1  0  0  0  0  0  0  0  0  0
    8.4660    4.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6123    2.7117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9818    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7450    4.6735    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.6818    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0818    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7818    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0818    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7793    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1248    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1248    6.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    5.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5497    6.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5497    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    8.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7579    8.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7579    5.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    9.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9166    8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7083    7.4412    0.0000 S   0  0  1  0  0  0  0  0  0  0  0  0
   12.5001    8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7083    6.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3538    9.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9844    9.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    7.5694    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.2844   11.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844   11.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1844    9.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1868   12.2429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7868   12.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5731    6.2454    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 30 34  1  0  0  0  0
 25 35  1  0  0  0  0
 36 35  1  6  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 41  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (145)
1552

>  <Formula> (145)
C34H36MgN6O6S2

>  <MolWeight> (145)
713.12124

>  <Cat> (145)
S1743

>  <Name> (145)
Esomeprazole magnesium

>  <Synonyms> (145)
NEXIUM

>  <Target> (145)
ATPase,Proton Pump

>  <Form> (145)
Magnesium salt

>  <CAS> (145)
161973-10-0

>  <URL> (145)
http://selleckchem.com/products/nexium-esomeprazole-magnesium.html

$$$$
Danthron.cdx
csChFnd80/03292410462D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (146)
1567

>  <Formula> (146)
C14H8O4

>  <MolWeight> (146)
240.21092

>  <Cat> (146)
S4561

>  <Name> (146)
Danthron

>  <Synonyms> (146)
chrysazin, Antrapurol

>  <Target> (146)
AMPK

>  <Form> (146)
free base

>  <CAS> (146)
117-10-2

>  <URL> (146)
http://selleckchem.com/products/danthron.html

$$$$
S4716 Evans Blue.cdx
csChFnd80/03292410462D

 62 67  0  0  0  0  0  0  0  0999 V2000
   23.0984    4.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7998    3.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7970    6.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6902    4.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
 43 46  2  0  0  0  0
 44 47  1  0  0  0  0
 44 48  2  0  0  0  0
 46 47  1  0  0  0  0
 47 49  2  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
 49 52  1  0  0  0  0
 49 53  1  0  0  0  0
 50 54  1  0  0  0  0
 50 52  2  0  0  0  0
 53 55  2  0  0  0  0
 53 56  2  0  0  0  0
 53 57  1  0  0  0  0
 54 59  2  0  0  0  0
 54 60  2  0  0  0  0
 54 61  1  0  0  0  0
 18 19  1  0  0  0  0
 22 23  1  0  0  0  0
 57 58  1  0  0  0  0
 61 62  1  0  0  0  0
M  END
>  <Mol_ID> (147)
1667

>  <Formula> (147)
C34H24N6Na4O14S4

>  <MolWeight> (147)
960.80524

>  <Cat> (147)
S4716

>  <Name> (147)
Evans Blue

>  <Synonyms> (147)
Direct Blue 53,C.I.23860

>  <Target> (147)
GluR

>  <Form> (147)
sodium salt

>  <CAS> (147)
314-13-6

>  <URL> (147)
http://selleckchem.com/products/evans-blue.html

$$$$
S4711 Esculetin.cdx
csChFnd80/03292410462D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    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
    6.0622    2.1000    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
    7.2746    0.0000    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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (148)
1668

>  <Formula> (148)
C9H6O4

>  <MolWeight> (148)
178.14154

>  <Cat> (148)
S4711

>  <Name> (148)
Esculetin

>  <Synonyms> (148)
Cichorigenin, Aesculetin

>  <Target> (148)
Lipoxygenase

>  <Form> (148)
free base

>  <CAS> (148)
305-01-1

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

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/03292410462D

 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> (149)
1680

>  <Formula> (149)
C6H12O5

>  <MolWeight> (149)
164.15648

>  <Cat> (149)
S4701

>  <Name> (149)
2-Deoxy-D-glucose (2-DG)

>  <Synonyms> (149)
2-deoxyglucose, NSC 15193, 2-Deoxy-D-arabino-hexose, D-Arabino-2-deoxyhexose

>  <Target> (149)
Apoptosis related,Carbohydrate Metabolism,HSV

>  <Form> (149)
free base

>  <CAS> (149)
154-17-6

>  <URL> (149)
http://selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
S4752 Corticosterone.cdx
csChFnd80/03292410462D

 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> (150)
1703

>  <Formula> (150)
C21H30O4

>  <MolWeight> (150)
346.4605

>  <Cat> (150)
S4752

>  <Name> (150)
Corticosterone (NSC-9705)

>  <Synonyms> (150)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (150)
Glucocorticoid Receptor

>  <Form> (150)
free base

>  <CAS> (150)
50-22-6

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

$$$$
S3617 (20S)-Protopanaxatriol.cdx
csChFnd80/03292410462D

 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> (151)
1728

>  <Formula> (151)
C30H52O4

>  <MolWeight> (151)
476.73148

>  <Cat> (151)
S3617

>  <Name> (151)
(20S)-Protopanaxatriol

>  <Synonyms> (151)
g-PPT, 20(S)-APPT

>  <Target> (151)
Estrogen/progestogen Receptor,Glucocorticoid Receptor

>  <Form> (151)
free base

>  <CAS> (151)
34080-08-5

>  <URL> (151)
http://selleckchem.com/products/20s-protopanaxatriol.html

$$$$
S3652 3-Nitropropionic acid.cdx
csChFnd80/03292410462D

  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> (152)
1751

>  <Formula> (152)
C3H5NO4

>  <MolWeight> (152)
119.0761

>  <Cat> (152)
S3652

>  <Name> (152)
3-Nitropropionic acid

>  <Synonyms> (152)
¦Â-Nitropropionic Acid, 3-NP

>  <Target> (152)
Dehydrogenase

>  <Form> (152)
free base

>  <CAS> (152)
504-88-1

>  <URL> (152)
http://selleckchem.com/products/3-nitropropionic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/03292410462D

 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> (153)
1844

>  <Formula> (153)
C6H13NO4

>  <MolWeight> (153)
163.17172

>  <Cat> (153)
S3839

>  <Name> (153)
1-Deoxynojirimycin

>  <Synonyms> (153)
duvoglustat, moranolin

>  <Target> (153)
Carbohydrate Metabolism

>  <Form> (153)
free base

>  <CAS> (153)
19130-96-2

>  <URL> (153)
http://selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (154)
1861

>  <Formula> (154)
C17H26O4

>  <MolWeight> (154)
294.38594

>  <Cat> (154)
S3836

>  <Name> (154)
6-Gingerol

>  <Synonyms> (154)
N/A

>  <Target> (154)
Apoptosis related

>  <Form> (154)
free base

>  <CAS> (154)
23513-14-6

>  <URL> (154)
http://selleckchem.com/products/6-gingerol.html

$$$$
S3930 Liquiritin.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (155)
1891

>  <Formula> (155)
C21H22O9

>  <MolWeight> (155)
418.39398

>  <Cat> (155)
S3930

>  <Name> (155)
Liquiritin

>  <Synonyms> (155)
Liquiritoside, Liquiritigenin-4'-O-glucoside

>  <Target> (155)
AKR1C

>  <Form> (155)
free base

>  <CAS> (155)
551-15-5

>  <URL> (155)
http://selleckchem.com/products/liquiritin.html

$$$$
S3812 Monocrotaline.cdx
csChFnd80/03292410462D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
1907

>  <Formula> (156)
C16H23NO6

>  <MolWeight> (156)
325.35692

>  <Cat> (156)
S3812

>  <Name> (156)
Monocrotaline

>  <Synonyms> (156)
Crotaline

>  <Target> (156)
Others

>  <Form> (156)
free base

>  <CAS> (156)
315-22-0

>  <URL> (156)
http://selleckchem.com/products/monocrotaline.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (157)
1935

>  <Formula> (157)
C20H24O11

>  <MolWeight> (157)
440.39796

>  <Cat> (157)
S3781

>  <Name> (157)
Ginkgolide C

>  <Synonyms> (157)
BN-52022

>  <Target> (157)
MMP

>  <Form> (157)
free base

>  <CAS> (157)
15291-76-6

>  <URL> (157)
http://selleckchem.com/products/ginkgolide-c.html

$$$$
Torin 1.cdx
csChFnd80/03292410462D

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 32 35  1  0  0  0  0
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M  END
>  <Mol_ID> (158)
1961

>  <Formula> (158)
C35H28F3N5O2

>  <MolWeight> (158)
607.6243296

>  <Cat> (158)
S2827

>  <Name> (158)
Torin 1

>  <Synonyms> (158)
N/A

>  <Target> (158)
Autophagy,mTOR

>  <Form> (158)
Free Base

>  <CAS> (158)
1222998-36-8

>  <URL> (158)
http://selleckchem.com/products/torin-1.html

$$$$
VU 0364439.cdx
csChFnd80/03292410462D

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  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (159)
1974

>  <Formula> (159)
C18H13Cl2N3O3S

>  <MolWeight> (159)
422.28512

>  <Cat> (159)
S8035

>  <Name> (159)
VU 0364439

>  <Synonyms> (159)
N/A

>  <Target> (159)
GluR

>  <Form> (159)
Free Base

>  <CAS> (159)
1246086-78-1

>  <URL> (159)
http://selleckchem.com/products/vu-0364439.html

$$$$
10058-F4.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (160)
1976

>  <Formula> (160)
C12H11NOS2

>  <MolWeight> (160)
249.35184

>  <Cat> (160)
S7153

>  <Name> (160)
10058-F4

>  <Synonyms> (160)
N/A

>  <Target> (160)
Apoptosis related,Autophagy,Myc

>  <Form> (160)
free base

>  <CAS> (160)
403811-55-2

>  <URL> (160)
http://selleckchem.com/products/10058-f4.html

$$$$
CGK 733.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (161)
1983

>  <Formula> (161)
C23H18Cl3FN4O3S

>  <MolWeight> (161)
555.8364232

>  <Cat> (161)
S7136

>  <Name> (161)
CGK 733

>  <Synonyms> (161)
N/A

>  <Target> (161)
ATM/ATR

>  <Form> (161)
free base

>  <CAS> (161)
905973-89-9

>  <URL> (161)
http://selleckchem.com/products/cgk-733.html

$$$$
AGI5198.cdx
csChFnd80/03292410462D

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   11.0583    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.7290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4820    6.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 12 13  2  0  0  0  0
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 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
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 20 21  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
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 29 30  1  0  0  0  0
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 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (162)
2002

>  <Formula> (162)
C27H31FN4O2

>  <MolWeight> (162)
462.5590432

>  <Cat> (162)
S7185

>  <Name> (162)
AGI-5198

>  <Synonyms> (162)
IDH-C35

>  <Target> (162)
Dehydrogenase

>  <Form> (162)
free base

>  <CAS> (162)
1355326-35-0

>  <URL> (162)
http://selleckchem.com/products/agi-5198.html

$$$$
S4774 Xanthurenic Acid.cdx
csChFnd80/03292410462D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4446    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316    3.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    1.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2233    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2824    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  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
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  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> (163)
2064

>  <Formula> (163)
C10H7NO4

>  <MolWeight> (163)
205.16688

>  <Cat> (163)
S4774

>  <Name> (163)
Xanthurenic Acid

>  <Synonyms> (163)
xanthurenate, 8-Hydroxykynurenic acid, 4,8-Dihydroxyquinaldic acid

>  <Target> (163)
GluR

>  <Form> (163)
free base

>  <CAS> (163)
59-00-7

>  <URL> (163)
http://selleckchem.com/products/xanthurenic-acid.html

$$$$
S4775 Cortodoxone.cdx
csChFnd80/03292410462D

 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
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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
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    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  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
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  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> (164)
2065

>  <Formula> (164)
C21H30O4

>  <MolWeight> (164)
346.4605

>  <Cat> (164)
S4775

>  <Name> (164)
Cortodoxone

>  <Synonyms> (164)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (164)
Glucocorticoid Receptor

>  <Form> (164)
free base

>  <CAS> (164)
152-58-9

>  <URL> (164)
http://selleckchem.com/products/cortodoxone.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/03292410462D

 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
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    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
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  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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M  END
>  <Mol_ID> (165)
2161

>  <Formula> (165)
C32H40O8

>  <MolWeight> (165)
552.6552

>  <Cat> (165)
S3832

>  <Name> (165)
Euphorbiasteroid

>  <Synonyms> (165)
Euphorbia factor L1

>  <Target> (165)
AMPK

>  <Form> (165)
free base

>  <CAS> (165)
28649-59-4

>  <URL> (165)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/03292410462D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (166)
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>  <MolWeight> (166)
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>  <Cat> (166)
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>  <Name> (166)
Scutellarin

>  <Synonyms> (166)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (166)
Akt,NF-¦ÊB,STAT

>  <Form> (166)
free base

>  <CAS> (166)
27740-01-8

>  <URL> (166)
http://selleckchem.com/products/scutellarin.html

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Miltefosine

>  <Synonyms> (167)
Hexadecylphosphocholine

>  <Target> (167)
Akt

>  <Form> (167)
free base

>  <CAS> (167)
58066-85-6

>  <URL> (167)
http://selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

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NU7026

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LY293646

>  <Target> (168)
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>  <Form> (168)
Free Base

>  <CAS> (168)
154447-35-5

>  <URL> (168)
http://selleckchem.com/products/nu7026.html

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ATM/ATR

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1232410-49-9

>  <URL> (169)
http://selleckchem.com/products/ve-821.html

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GSK2636771

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PI3K

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free base

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1372540-25-4

>  <URL> (170)
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C21H25ClN6O2

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Capivasertib (AZD5363)

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N/A

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Akt

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free base

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1143532-39-1

>  <URL> (171)
http://selleckchem.com/products/azd5363.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (172)
2283

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FNa2O3P

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143.9499042

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S4013

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Sodium Monofluorophosphate

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NSC248

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phosphatase

>  <Form> (172)
Disodium salt

>  <CAS> (172)
10163-15-2

>  <URL> (172)
http://selleckchem.com/products/sodium-monofluorophosphate.html

$$$$
IPI-145.cdx
csChFnd80/03292410462D

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2284

>  <Formula> (173)
C22H17ClN6O

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416.86298

>  <Cat> (173)
S7028

>  <Name> (173)
Duvelisib (IPI-145)

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INK1197

>  <Target> (173)
PI3K

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free base

>  <CAS> (173)
1201438-56-3

>  <URL> (173)
http://selleckchem.com/products/ipi-145-ink1197.html

$$$$
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csChFnd80/03292410462D

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2295

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C23H27ClO7

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Empagliflozin (BI 10773)

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N/A

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SGLT

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free base

>  <CAS> (174)
864070-44-0

>  <URL> (174)
http://selleckchem.com/products/empagliflozin-bi10773.html

$$$$
GDC-0349.cdx
csChFnd80/03292410462D

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2313

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C24H32N6O3

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GDC-0349

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RG-7603

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mTOR

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free base

>  <CAS> (175)
1207360-89-1

>  <URL> (175)
http://selleckchem.com/products/gdc-0349.html

$$$$
untitled.cdx
csChFnd80/03292410462D

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    0.0000    7.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    9.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8442    3.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    2.1047    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
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    7.2801    3.5096    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  2  0  0  0  0
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 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
 12 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (176)
2319

>  <Formula> (176)
C21H16N6O2S2

>  <MolWeight> (176)
448.52074

>  <Cat> (176)
S1118

>  <Name> (176)
XL147 analogue

>  <Synonyms> (176)
SAR245408

>  <Target> (176)
Apoptosis related,PI3K

>  <Form> (176)
Free Base

>  <CAS> (176)
956958-53-5

>  <URL> (176)
http://selleckchem.com/products/XL147.html

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/03292410462D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7676    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
  4  7  1  0  0  0  0
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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (177)
2323

>  <Formula> (177)
C16H15BrClN5O4S

>  <MolWeight> (177)
488.7434

>  <Cat> (177)
S1205

>  <Name> (177)
PIK-75 HCl

>  <Synonyms> (177)
N/A

>  <Target> (177)
DNA-PK,PI3K

>  <Form> (177)
Hydrochloride

>  <CAS> (177)
372196-77-5

>  <URL> (177)
http://selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/03292410462D

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (178)
2327

>  <Formula> (178)
C25H52NO4P

>  <MolWeight> (178)
461.658441

>  <Cat> (178)
S1037

>  <Name> (178)
Perifosine (KRX-0401)

>  <Synonyms> (178)
NSC639966, D21266

>  <Target> (178)
Akt

>  <Form> (178)
free base

>  <CAS> (178)
157716-52-4

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

$$$$
D-glutamine.cdx
csChFnd80/03292410462D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  1  0  0  0  0
  2  9  2  0  0  0  0
  5 10  1  6  0  0  0
M  END
>  <Mol_ID> (179)
2330

>  <Formula> (179)
C5H10N2O3

>  <MolWeight> (179)
146.1445

>  <Cat> (179)
S1893

>  <Name> (179)
D-glutamine

>  <Synonyms> (179)
N/A

>  <Target> (179)
GluR

>  <Form> (179)
free base

>  <CAS> (179)
5959-95-5

>  <URL> (179)
http://selleckchem.com/products/D-glutamine.html

$$$$
bms-707035.cdx
csChFnd80/03292410462D

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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (180)
2339

>  <Formula> (180)
C18H11N3O2S

>  <MolWeight> (180)
333.36384

>  <Cat> (180)
S1360

>  <Name> (180)
GSK1059615

>  <Synonyms> (180)
N/A

>  <Target> (180)
mTOR,PI3K

>  <Form> (180)
Free Base

>  <CAS> (180)
958852-01-2

>  <URL> (180)
http://selleckchem.com/products/GSK1059615.html

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/03292410462D

 32 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.6019    3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4345    7.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693    7.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    9.5749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    2.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9704    2.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
 12 20  1  1  0  0  0
 14 21  1  6  0  0  0
 10 21  1  6  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
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 28 29  1  0  0  0  0
 17 29  1  1  0  0  0
 28 30  2  0  0  0  0
  9 31  1  1  0  0  0
 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (181)
2363

>  <Formula> (181)
C24H30O6

>  <MolWeight> (181)
414.4914

>  <Cat> (181)
S1707

>  <Name> (181)
Eplerenone (CGP 30083)

>  <Synonyms> (181)
CGP 30083, SC-66110

>  <Target> (181)
Mineralocorticoid Receptor

>  <Form> (181)
free base

>  <CAS> (181)
107724-20-9

>  <URL> (181)
http://selleckchem.com/products/Eplerenone(Inspra).html

$$$$
(-)-Huperzine A.cdx
csChFnd80/03292410462D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    4.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014    4.9854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6513    2.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    6.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    7.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    6.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    5.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637    2.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 10  5  1  0  0  0  0
  3 13  1  6  0  0  0
  5 14  1  1  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (182)
2376

>  <Formula> (182)
C15H18N2O

>  <MolWeight> (182)
242.31622

>  <Cat> (182)
S2251

>  <Name> (182)
(-)-Huperzine A (HupA)

>  <Synonyms> (182)
N/A

>  <Target> (182)
AChR,GluR

>  <Form> (182)
Free Base

>  <CAS> (182)
102518-79-6

>  <URL> (182)
http://selleckchem.com/products/(-)-Huperzine-A.html

$$$$
ly404039.cdx
csChFnd80/03292410462D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.3124    3.5473    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3124    2.1473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6439    1.7146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.2816    5.3322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6339    4.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    0.3146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9862    2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    4.0597    0.0000 C   0  0  0  0  0  0  0  0  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
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  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> (183)
2384

>  <Formula> (183)
C7H9NO6S

>  <MolWeight> (183)
235.21446

>  <Cat> (183)
S6001

>  <Name> (183)
pomaglumetad (LY404039)

>  <Synonyms> (183)
N/A

>  <Target> (183)
GluR

>  <Form> (183)
Free Base

>  <CAS> (183)
635318-11-5

>  <URL> (183)
http://selleckchem.com/products/LY2140023(LY404039).html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/03292410462D

 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
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    2.4249    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  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
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (184)
2396

>  <Formula> (184)
C25H19NO3S

>  <MolWeight> (184)
413.48826

>  <Cat> (184)
S2638

>  <Name> (184)
NU7441 (KU-57788)

>  <Synonyms> (184)
N/A

>  <Target> (184)
CRISPR/Cas9,DNA-PK,mTOR,PI3K

>  <Form> (184)
free base

>  <CAS> (184)
503468-95-9

>  <URL> (184)
http://selleckchem.com/products/nu7441.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/03292410462D

 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
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    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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    9.6869    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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M  END
>  <Mol_ID> (185)
2404

>  <Formula> (185)
C23H14Na2O11

>  <MolWeight> (185)
512.3302

>  <Cat> (185)
S1911

>  <Name> (185)
Disodium Cromoglycate

>  <Synonyms> (185)
Gynazole ,FPL 670 (Cromolyn) Disodium,Cromolyn sodium

>  <Target> (185)
Calcium Channel

>  <Form> (185)
Disodium Salt

>  <CAS> (185)
15826-37-6

>  <URL> (185)
http://selleckchem.com/products/disodium-Cromoglycate.html

$$$$
PF-4989216.cdx
csChFnd80/03292410462D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (186)
2450

>  <Formula> (186)
C18H13FN6OS

>  <MolWeight> (186)
380.3988232

>  <Cat> (186)
S7675

>  <Name> (186)
PF-4989216

>  <Synonyms> (186)
N/A

>  <Target> (186)
PI3K

>  <Form> (186)
free base

>  <CAS> (186)
1276553-09-3

>  <URL> (186)
http://selleckchem.com/products/pf-4989216.html

$$$$
AZD8186.cdx
csChFnd80/03292410462D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (187)
2451

>  <Formula> (187)
C24H25F2N3O4

>  <MolWeight> (187)
457.4698064

>  <Cat> (187)
S7694

>  <Name> (187)
AZD8186

>  <Synonyms> (187)
N/A

>  <Target> (187)
PI3K

>  <Form> (187)
free base

>  <CAS> (187)
1627494-13-6

>  <URL> (187)
http://selleckchem.com/products/azd8186.html

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/03292410462D

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  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (188)
2466

>  <Formula> (188)
C5H6Na2O5

>  <MolWeight> (188)
192.07768

>  <Cat> (188)
S7873

>  <Name> (188)
Disodium (R)-2-Hydroxyglutarate

>  <Synonyms> (188)
D-¦Á-Hydroxyglutaric acid disodium

>  <Target> (188)
ROS

>  <Form> (188)
disodium salt

>  <CAS> (188)
103404-90-6

>  <URL> (188)
http://selleckchem.com/products/disodium-r-2-hydroxyglutarate.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/03292410462D

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 25 34  1  0  0  0  0
M  END
>  <Mol_ID> (189)
2468

>  <Formula> (189)
C24H28N8O2

>  <MolWeight> (189)
460.53152

>  <Cat> (189)
S7103

>  <Name> (189)
Taselisib (GDC 0032)

>  <Synonyms> (189)
RG7604

>  <Target> (189)
PI3K

>  <Form> (189)
free base

>  <CAS> (189)
1282512-48-4

>  <URL> (189)
http://selleckchem.com/products/gdc-0032.html

$$$$
Vidofludimus .cdx
csChFnd80/03292410462D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (190)
2475

>  <Formula> (190)
C20H18FNO4

>  <MolWeight> (190)
355.3596232

>  <Cat> (190)
S7262

>  <Name> (190)
Vidofludimus

>  <Synonyms> (190)
SC12267, 4SC-101

>  <Target> (190)
COVID-19,Dehydrogenase

>  <Form> (190)
free base

>  <CAS> (190)
717824-30-1

>  <URL> (190)
http://selleckchem.com/products/vidofludimus.html

$$$$
AZD6738.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (191)
2483

>  <Formula> (191)
C20H24N6O2S

>  <MolWeight> (191)
412.50856

>  <Cat> (191)
S7693

>  <Name> (191)
Ceralasertib (AZD6738)

>  <Synonyms> (191)
N/A

>  <Target> (191)
ATM/ATR

>  <Form> (191)
free base

>  <CAS> (191)
1352226-88-0

>  <URL> (191)
http://selleckchem.com/products/azd6738.html

$$$$

csChFnd80/03292410462D

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>  <Mol_ID> (192)
2486

>  <Formula> (192)
C17H16N2O3

>  <MolWeight> (192)
296.32054

>  <Cat> (192)
S7667

>  <Name> (192)
SU5402

>  <Synonyms> (192)
N/A

>  <Target> (192)
FGFR,PDGFR,VEGFR

>  <Form> (192)
free base

>  <CAS> (192)
215543-92-3

>  <URL> (192)
http://selleckchem.com/products/su5402.html

$$$$
Akti-1.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (193)
2491

>  <Formula> (193)
C34H29N7O

>  <MolWeight> (193)
551.64036

>  <Cat> (193)
S7776

>  <Name> (193)
Akti-1/2

>  <Synonyms> (193)
Akt Inhibitor VIII

>  <Target> (193)
Akt,Apoptosis related

>  <Form> (193)
free base

>  <CAS> (193)
612847-09-3

>  <URL> (193)
http://selleckchem.com/products/akti-1-2.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/03292410462D

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BIO-acetoxime

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GSK-3 Inhibitor X

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GSK-3

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free base

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667463-85-6

>  <URL> (194)
http://selleckchem.com/products/bio-acetoxime.html

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AMG319.cdx
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C21H16FN7

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AMG319

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N/A

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PI3K

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free base

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1608125-21-8

>  <URL> (195)
http://selleckchem.com/products/amg319.html

$$$$
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csChFnd80/03292410462D

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>  <Mol_ID> (196)
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C6H13NO2

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L-Leucine

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(S)-Leucine, Leu

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mTOR

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free base

>  <CAS> (196)
61-90-5

>  <URL> (196)
http://selleckchem.com/products/l-leucine.html

$$$$
AZD1080.cdx
csChFnd80/03292410462D

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C19H18N4O2

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AZD1080

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N/A

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GSK-3

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free base

>  <CAS> (197)
612487-72-6

>  <URL> (197)
http://selleckchem.com/products/azd1080.html

$$$$
GSK2334470.cdx
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2556

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GSK2334470

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>  <URL> (198)
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$$$$
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>  <Mol_ID> (199)
2560

>  <Formula> (199)
C16H10BrN3O2

>  <MolWeight> (199)
356.1735

>  <Cat> (199)
S7198

>  <Name> (199)
BIO

>  <Synonyms> (199)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (199)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (199)
free base

>  <CAS> (199)
667463-62-9

>  <URL> (199)
http://selleckchem.com/products/bio.html

$$$$
AZD2858.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (200)
2567

>  <Formula> (200)
C21H23N7O3S

>  <MolWeight> (200)
453.51742

>  <Cat> (200)
S7253

>  <Name> (200)
AZD2858

>  <Synonyms> (200)
N/A

>  <Target> (200)
GSK-3

>  <Form> (200)
free base

>  <CAS> (200)
486424-20-8

>  <URL> (200)
http://selleckchem.com/products/azd2858.html

$$$$
PluriSln 1(NSC 14613).cdx
csChFnd80/03292410462D

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>  <Mol_ID> (201)
2571

>  <Formula> (201)
C12H11N3O

>  <MolWeight> (201)
213.23524

>  <Cat> (201)
S8076

>  <Name> (201)
PluriSIn #1 (NSC 14613)

>  <Synonyms> (201)
N/A

>  <Target> (201)
SCD

>  <Form> (201)
free base

>  <CAS> (201)
91396-88-2

>  <URL> (201)
http://selleckchem.com/products/PluriSIn-1-nsc-14613.html

$$$$
CZC24832.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (202)
2578

>  <Formula> (202)
C15H17FN6O2S

>  <MolWeight> (202)
364.3978832

>  <Cat> (202)
S7018

>  <Name> (202)
CZC24832

>  <Synonyms> (202)
N/A

>  <Target> (202)
PI3K

>  <Form> (202)
free base

>  <CAS> (202)
1159824-67-5

>  <URL> (202)
http://selleckchem.com/products/czc24832.html

$$$$
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>  <Mol_ID> (203)
2581

>  <Formula> (203)
C30H22N4O2

>  <MolWeight> (203)
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>  <Cat> (203)
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>  <Name> (203)
ETP-46464

>  <Synonyms> (203)
N/A

>  <Target> (203)
ATM/ATR,mTOR

>  <Form> (203)
free base

>  <CAS> (203)
1345675-02-6

>  <URL> (203)
http://selleckchem.com/products/etp-46464.html

$$$$
XL388.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (204)
2583

>  <Formula> (204)
C23H22FN3O4S

>  <MolWeight> (204)
455.5018832

>  <Cat> (204)
S7035

>  <Name> (204)
XL388

>  <Synonyms> (204)
N/A

>  <Target> (204)
mTOR

>  <Form> (204)
free base

>  <CAS> (204)
1251156-08-7

>  <URL> (204)
http://selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/03292410462D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (205)
2585

>  <Formula> (205)
C24H27Cl2N5O

>  <MolWeight> (205)
472.41008

>  <Cat> (205)
S7306

>  <Name> (205)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (205)
BML-275 2HCl,Compound C 2HCl

>  <Target> (205)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (205)
Dihydrochloride

>  <CAS> (205)
1219168-18-9

>  <URL> (205)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
WZ4003.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (206)
2666

>  <Formula> (206)
C25H29ClN6O3

>  <MolWeight> (206)
496.98916

>  <Cat> (206)
S7317

>  <Name> (206)
WZ4003

>  <Synonyms> (206)
N/A

>  <Target> (206)
AMPK

>  <Form> (206)
free base

>  <CAS> (206)
1214265-58-3

>  <URL> (206)
http://selleckchem.com/products/wz4003.html

$$$$
AZ20.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (207)
2676

>  <Formula> (207)
C21H24N4O3S

>  <MolWeight> (207)
412.50526

>  <Cat> (207)
S7050

>  <Name> (207)
AZ20

>  <Synonyms> (207)
N/A

>  <Target> (207)
ATM/ATR

>  <Form> (207)
free base

>  <CAS> (207)
1233339-22-4

>  <URL> (207)
http://selleckchem.com/products/az20.html

$$$$
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ATM/ATR

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free base

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1232416-25-9

>  <URL> (208)
http://selleckchem.com/products/ve-822.html

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free base

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487021-52-3

>  <URL> (209)
http://selleckchem.com/products/A014418.html

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1-Azakenpaullone

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1-Akp

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GSK-3

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free base

>  <CAS> (210)
676596-65-9

>  <URL> (210)
http://selleckchem.com/products/1-azakenpaullone.html

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free base

>  <CAS> (211)
1432660-47-3

>  <URL> (211)
http://selleckchem.com/products/agi-6780.html

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M  END
>  <Mol_ID> (212)
2716

>  <Formula> (212)
C19H18ClF3N2O5S

>  <MolWeight> (212)
478.8698296

>  <Cat> (212)
S7517

>  <Name> (212)
AZD7545

>  <Synonyms> (212)
N/A

>  <Target> (212)
PDHK

>  <Form> (212)
free base

>  <CAS> (212)
252017-04-2

>  <URL> (212)
http://selleckchem.com/products/azd7545.html

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (213)
2727

>  <Formula> (213)
C6H9NO5

>  <MolWeight> (213)
175.13936

>  <Cat> (213)
S7483

>  <Name> (213)
DMOG

>  <Synonyms> (213)
Dimethyloxalylglycine

>  <Target> (213)
Autophagy,HIF,Hydroxylase

>  <Form> (213)
free base

>  <CAS> (213)
89464-63-1

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

$$$$
LM-3086.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (214)
2740

>  <Formula> (214)
C17H12N2O

>  <MolWeight> (214)
260.28998

>  <Cat> (214)
S7289

>  <Name> (214)
PFK15

>  <Synonyms> (214)
PFK-015

>  <Target> (214)
Autophagy,PFKFB

>  <Form> (214)
free base

>  <CAS> (214)
4382-63-2

>  <URL> (214)
http://selleckchem.com/products/pfk15.html

$$$$
HS-173.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (215)
2741

>  <Formula> (215)
C21H18N4O4S

>  <MolWeight> (215)
422.45702

>  <Cat> (215)
S7356

>  <Name> (215)
HS-173

>  <Synonyms> (215)
N/A

>  <Target> (215)
PI3K

>  <Form> (215)
free base

>  <CAS> (215)
1276110-06-5

>  <URL> (215)
http://selleckchem.com/products/hs-173.html

$$$$
BAY 87-2243.cdx
csChFnd80/03292410462D

 38 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
2792

>  <Formula> (216)
C26H26F3N7O2

>  <MolWeight> (216)
525.5255496

>  <Cat> (216)
S7309

>  <Name> (216)
BAY 87-2243

>  <Synonyms> (216)
N/A

>  <Target> (216)
Ferroptosis,HIF,Mitochondrial Metabolism,ROS

>  <Form> (216)
Free Base

>  <CAS> (216)
1227158-85-1

>  <URL> (216)
http://selleckchem.com/products/bay-87-2243.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/03292410462D

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>  <Mol_ID> (217)
2803

>  <Formula> (217)
C19H17NO3

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307.34318

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S7310

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SF1670

>  <Synonyms> (217)
N/A

>  <Target> (217)
PTEN

>  <Form> (217)
free base

>  <CAS> (217)
345630-40-2

>  <URL> (217)
http://selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (218)
2804

>  <Formula> (218)
C22H20FN3O2

>  <MolWeight> (218)
377.4115032

>  <Cat> (218)
S7566

>  <Name> (218)
IM-12

>  <Synonyms> (218)
N/A

>  <Target> (218)
GSK-3

>  <Form> (218)
free base

>  <CAS> (218)
1129669-05-1

>  <URL> (218)
http://selleckchem.com/products/im-12.html

$$$$
VS-5584 (SB2343).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (219)
2850

>  <Formula> (219)
C17H22N8O

>  <MolWeight> (219)
354.40958

>  <Cat> (219)
S7016

>  <Name> (219)
VS-5584 (SB2343)

>  <Synonyms> (219)
N/A

>  <Target> (219)
PI3K

>  <Form> (219)
free base

>  <CAS> (219)
1246560-33-7

>  <URL> (219)
http://selleckchem.com/products/vs-5584-sb2343.html

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (220)
2863

>  <Formula> (220)
C18H28ClN3O5S

>  <MolWeight> (220)
433.95002

>  <Cat> (220)
S4430

>  <Name> (220)
Hydroxychloroquine Sulfate (NSC 4375)

>  <Synonyms> (220)
HCQ

>  <Target> (220)
Anti-infection,Autophagy,COVID-19,TLR

>  <Form> (220)
Sulfate

>  <CAS> (220)
747-36-4

>  <URL> (220)
http://selleckchem.com/products/hydroxychloroquine-sulfate.html

$$$$
PX-478 2HCl.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (221)
2879

>  <Formula> (221)
C13H20Cl4N2O3

>  <MolWeight> (221)
394.1215

>  <Cat> (221)
S7612

>  <Name> (221)
PX-478 2HCl

>  <Synonyms> (221)
N/A

>  <Target> (221)
Apoptosis related,HIF

>  <Form> (221)
dihydrochloride

>  <CAS> (221)
685898-44-6

>  <URL> (221)
http://selleckchem.com/products/px-478-2hcl.html

$$$$
AT13148.cdx
csChFnd80/03292410462D

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>  <Synonyms> (222)
N/A

>  <Target> (222)
Akt,PKA,ROCK,S6 Kinase

>  <Form> (222)
free base

>  <CAS> (222)
1056901-62-2

>  <URL> (222)
http://selleckchem.com/products/at13148.html

$$$$
PI-3065.cdx
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>  <Mol_ID> (223)
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>  <Name> (223)
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>  <Synonyms> (223)
N/A

>  <Target> (223)
PI3K

>  <Form> (223)
free base

>  <CAS> (223)
955977-50-1

>  <URL> (223)
http://selleckchem.com/products/pi-3065.html

$$$$
Bikinin.cdx
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>  <Mol_ID> (224)
2909

>  <Formula> (224)
C9H9BrN2O3

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>  <Cat> (224)
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>  <Name> (224)
Bikinin

>  <Synonyms> (224)
N/A

>  <Target> (224)
GSK-3

>  <Form> (224)
free base

>  <CAS> (224)
188011-69-0

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

$$$$
LY2090314.cdx
csChFnd80/03292410462D

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>  <Name> (225)
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>  <Target> (225)
GSK-3

>  <Form> (225)
free base

>  <CAS> (225)
603288-22-8

>  <URL> (225)
http://selleckchem.com/products/ly2090314.html

$$$$
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Akt

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free base

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1047644-62-1

>  <URL> (226)
http://selleckchem.com/products/afuresertib-gsk2110183.html

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N/A

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PI3K

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free base

>  <CAS> (227)
1394076-92-6

>  <URL> (227)
http://selleckchem.com/products/gne-317.html

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2958

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C26H24F3N7O3S

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571.5740696

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S7655

>  <Name> (228)
Telaglenastat (CB-839)

>  <Synonyms> (228)
N/A

>  <Target> (228)
Autophagy,Glutaminase

>  <Form> (228)
free base

>  <CAS> (228)
1439399-58-2

>  <URL> (228)
http://selleckchem.com/products/cb-839.html

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C17H21N7O4

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MHY1485

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N/A

>  <Target> (229)
Autophagy,mTOR

>  <Form> (229)
free base

>  <CAS> (229)
326914-06-1

>  <URL> (229)
http://selleckchem.com/products/mhy1485.html

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>  <Mol_ID> (234)
2988

>  <Formula> (234)
C24H25N5O

>  <MolWeight> (234)
399.4882

>  <Cat> (234)
S7840

>  <Name> (234)
Dorsomorphin (Compound C)

>  <Synonyms> (234)
BML-275,Compound C

>  <Target> (234)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (234)
Free Base

>  <CAS> (234)
866405-64-3

>  <URL> (234)
http://selleckchem.com/products/dorsomorphin.html

$$$$
KC7F2.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (235)
2993

>  <Formula> (235)
C16H16Cl4N2O4S4

>  <MolWeight> (235)
570.38124

>  <Cat> (235)
S7946

>  <Name> (235)
KC7F2

>  <Synonyms> (235)
N/A

>  <Target> (235)
HIF

>  <Form> (235)
free base

>  <CAS> (235)
927822-86-4

>  <URL> (235)
http://selleckchem.com/products/kc7f2.html

$$$$
STF-31.cdx
csChFnd80/03292410462D

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2997

>  <Formula> (236)
C23H25N3O3S

>  <MolWeight> (236)
423.5279

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STF-31

>  <Synonyms> (236)
N/A

>  <Target> (236)
GLUT

>  <Form> (236)
free base

>  <CAS> (236)
724741-75-7

>  <URL> (236)
http://selleckchem.com/products/stf-31.html

$$$$
GSK621.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (237)
3007

>  <Formula> (237)
C26H20ClN3O5

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>  <Cat> (237)
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AMPK

>  <Form> (237)
free base

>  <CAS> (237)
1346607-05-3

>  <URL> (237)
http://selleckchem.com/products/gsk621.html

$$$$
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PKM

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free base

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1203494-49-8

>  <URL> (238)
http://selleckchem.com/products/dasa-58.html

$$$$
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SGLT

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free base

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1018899-04-1

>  <URL> (239)
http://selleckchem.com/products/sotagliflozin-lx4211.html

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NCT-501.cdx
csChFnd80/03292410462D

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free base

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1802088-50-1

>  <URL> (240)
http://selleckchem.com/products/nct-501.html

$$$$
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free base

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459147-39-8

>  <URL> (241)
http://selleckchem.com/products/sw033291.html

$$$$
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mTOR,PI3K

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934493-76-2

>  <URL> (242)
http://selleckchem.com/products/voxtalisib-xl765-sar245409.html

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FG-2216.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (243)
3036

>  <Formula> (243)
C12H9ClN2O4

>  <MolWeight> (243)
280.66386

>  <Cat> (243)
S7979

>  <Name> (243)
FG-2216

>  <Synonyms> (243)
N/A

>  <Target> (243)
HIF

>  <Form> (243)
free base

>  <CAS> (243)
223387-75-5

>  <URL> (243)
http://selleckchem.com/products/fg-2216.html

$$$$
PX-12.cdx
csChFnd80/03292410462D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (244)
3039

>  <Formula> (244)
C7H12N2S2

>  <MolWeight> (244)
188.31358

>  <Cat> (244)
S7947

>  <Name> (244)
PX-12

>  <Synonyms> (244)
DB05448, 1-methyl propyl 2-imidazolyl disulfide

>  <Target> (244)
COVID-19,Thioredoxin

>  <Form> (244)
free base

>  <CAS> (244)
141400-58-0

>  <URL> (244)
http://selleckchem.com/products/px-12.html

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (245)
3048

>  <Formula> (245)
C13H14N8O2

>  <MolWeight> (245)
314.30266

>  <Cat> (245)
S8138

>  <Name> (245)
Molidustat (BAY 85-3934)

>  <Synonyms> (245)
N/A

>  <Target> (245)
HIF

>  <Form> (245)
free base

>  <CAS> (245)
1154028-82-6

>  <URL> (245)
http://selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (246)
3057

>  <Formula> (246)
C19H27N3O6

>  <MolWeight> (246)
393.43418

>  <Cat> (246)
S8171

>  <Name> (246)
Daprodustat (GSK1278863)

>  <Synonyms> (246)
N/A

>  <Target> (246)
HIF

>  <Form> (246)
free base

>  <CAS> (246)
960539-70-2

>  <URL> (246)
http://selleckchem.com/products/daprodustat.html

$$$$
CC-223.cdx
csChFnd80/03292410462D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (247)
3059

>  <Formula> (247)
C21H27N5O3

>  <MolWeight> (247)
397.47078

>  <Cat> (247)
S7886

>  <Name> (247)
Onatasertib (CC 223)

>  <Synonyms> (247)
ATG-008

>  <Target> (247)
mTOR

>  <Form> (247)
free base

>  <CAS> (247)
1228013-30-6

>  <URL> (247)
http://selleckchem.com/products/cc-223.html

$$$$
AZD3965.cdx
csChFnd80/03292410462D

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Akt

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free base

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1047634-65-0

>  <URL> (249)
http://selleckchem.com/products/gsk2141795.html

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AMPK,CDK,c-RET,FGFR,PDGFR,Src

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free base

>  <CAS> (250)
1357470-29-1

>  <URL> (250)
http://selleckchem.com/products/on123300.html

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free base

>  <CAS> (251)
1383716-33-3

>  <URL> (251)
http://selleckchem.com/products/vps34-in1.html

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M  END
>  <Mol_ID> (252)
3075

>  <Formula> (252)
C16H11BrN2O

>  <MolWeight> (252)
327.17534

>  <Cat> (252)
S7917

>  <Name> (252)
Kenpaullone

>  <Synonyms> (252)
9-Bromopaullone, NSC-664704

>  <Target> (252)
CDK

>  <Form> (252)
free base

>  <CAS> (252)
142273-20-9

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

$$$$
WZB117.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (253)
3078

>  <Formula> (253)
C20H13FO6

>  <MolWeight> (253)
368.3120232

>  <Cat> (253)
S7927

>  <Name> (253)
WZB117

>  <Synonyms> (253)
N/A

>  <Target> (253)
GLUT

>  <Form> (253)
free base

>  <CAS> (253)
1223397-11-2

>  <URL> (253)
http://selleckchem.com/products/wzb117.html

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (254)
3084

>  <Formula> (254)
C28H22ClF3N6O3

>  <MolWeight> (254)
582.9608896

>  <Cat> (254)
S8206

>  <Name> (254)
Ivosidenib (AG-120)

>  <Target> (254)
Dehydrogenase

>  <Form> (254)
free base

>  <CAS> (254)
1448347-49-6

>  <URL> (254)
http://selleckchem.com/products/ag-120-Ivosidenib.html

$$$$
PIK-III.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (255)
3090

>  <Formula> (255)
C17H17N7

>  <MolWeight> (255)
319.36378

>  <Cat> (255)
S7683

>  <Name> (255)
PIK-III

>  <Synonyms> (255)
VPS34-IN2

>  <Target> (255)
Autophagy,LC3,PI3K

>  <Form> (255)
free base

>  <CAS> (255)
1383716-40-2

>  <URL> (255)
http://selleckchem.com/products/pik-iii.html

$$$$
ETC-1002.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (256)
3100

>  <Formula> (256)
C19H36O5

>  <MolWeight> (256)
344.48614

>  <Cat> (256)
S7953

>  <Name> (256)
ETC-1002

>  <Synonyms> (256)
Bempedoic acid, ESP-55016

>  <Target> (256)
AMPK,ATP-citrate lyase,LDL

>  <Form> (256)
free base

>  <CAS> (256)
738606-46-7

>  <URL> (256)
http://selleckchem.com/products/etc-1002.html

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/03292410462D

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>  <Mol_ID> (257)
3102

>  <Formula> (257)
C19H17F6N7O

>  <MolWeight> (257)
473.3749992

>  <Cat> (257)
S8205

>  <Name> (257)
Enasidenib (AG-221)

>  <Synonyms> (257)
N/A

>  <Target> (257)
Dehydrogenase

>  <Form> (257)
free base

>  <CAS> (257)
1446502-11-9

>  <URL> (257)
http://selleckchem.com/products/ag-221-enasidenib.html

$$$$
FOMEPIZOLE (fomepizole).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (258)
3147

>  <Formula> (258)
C4H6N2

>  <MolWeight> (258)
82.10384

>  <Cat> (258)
S1717

>  <Name> (258)
Fomepizole

>  <Synonyms> (258)
4-methylpyrazole, Antizol, Antizol-Vet

>  <Target> (258)
Dehydrogenase

>  <Form> (258)
free base

>  <CAS> (258)
7554-65-6

>  <URL> (258)
http://selleckchem.com/products/Fomepizole(Antizol).html

$$$$
LY3023414.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (259)
3168

>  <Formula> (259)
C23H26N4O3

>  <MolWeight> (259)
406.47754

>  <Cat> (259)
S8322

>  <Name> (259)
Samotolisib (LY3023414)

>  <Synonyms> (259)
GTPL8918

>  <Target> (259)
DNA-PK,mTOR,PI3K

>  <Form> (259)
free base

>  <CAS> (259)
1386874-06-1

>  <URL> (259)
http://selleckchem.com/products/ly3023414.html

$$$$
Verubecestat (MK-8931).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (260)
3177

>  <Formula> (260)
C19H18F5N5O5S

>  <MolWeight> (260)
523.433736

>  <Cat> (260)
S8173

>  <Name> (260)
Verubecestat (MK-8931) Trifluoroacetate

>  <Synonyms> (260)
MK-8931

>  <Target> (260)
BACE

>  <Form> (260)
Trifluoroacetat

>  <CAS> (260)
2095432-65-6

>  <URL> (260)
http://selleckchem.com/products/verubecestat-mk-8931.html

$$$$
VO-Ohpic.cdx
csChFnd80/03292410462D

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 10 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
 10 16  1  0  0  0  0
 15 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 16  1  0  0  0  0
 14 21  2  0  0  0  0
 17 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
>  <Mol_ID> (261)
3186

>  <Formula> (261)
C12H15N2O11V

>  <MolWeight> (261)
414.1958

>  <Cat> (261)
S8174

>  <Name> (261)
VO-Ohpic trihydrate

>  <Synonyms> (261)
N/A

>  <Target> (261)
PTEN

>  <Form> (261)
trihydrate

>  <CAS> (261)
476310-60-8

>  <URL> (261)
http://selleckchem.com/products/vo-ohpic.html

$$$$
Shikonin.cdx
csChFnd80/03292410462D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    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
    1.2124    1.4000    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
    2.4249    3.5000    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
    3.6373    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
    6.0622    5.6000    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
  8  9  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
 10  9  1  0  0  0  0
  8  7  1  0  0  0  0
  7 13  2  0  0  0  0
  3 14  1  0  0  0  0
  9 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 19  1  0  0  0  0
 18 20  1  0  0  0  0
 15 21  1  6  0  0  0
M  END
>  <Mol_ID> (262)
3193

>  <Formula> (262)
C16H16O5

>  <MolWeight> (262)
288.29524

>  <Cat> (262)
S8279

>  <Name> (262)
Shikonin (C.I. 75535)

>  <Synonyms> (262)
Anchusin, Anchusa acid, Alkanna Red, Isoarnebin 4, NSC 252844

>  <Target> (262)
Anti-infection,Chloride Channel,COVID-19,NF-¦ÊB,PKM,Proteasome,TNF-alpha

>  <Form> (262)
free base

>  <CAS> (262)
54952-43-1

>  <URL> (262)
http://selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/03292410462D

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.5287    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5287    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    0.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9536    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    2.8187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3163    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1699    4.2110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8005    4.5021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1005    3.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0373    2.2492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2103    5.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9192    6.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8853    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    4.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    2.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    3.8369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    1.2790    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
   15.1660    0.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1660    2.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4450    2.2492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3818    3.2896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6818    4.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3123    4.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2512    5.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6435    5.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4283    6.9137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6135    7.1333    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  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (263)
3196

>  <Formula> (263)
C22H31N9O3

>  <MolWeight> (263)
469.54004

>  <Cat> (263)
S7966

>  <Name> (263)
AZD8835

>  <Synonyms> (263)
N/A

>  <Target> (263)
PI3K

>  <Form> (263)
free base

>  <CAS> (263)
1620576-64-8

>  <URL> (263)
http://selleckchem.com/products/azd8835.html

$$$$
Deguelin.cdx
csChFnd80/03292410462D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 11 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 12  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7 25  2  0  0  0  0
 17 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (264)
3210

>  <Formula> (264)
C23H22O6

>  <MolWeight> (264)
394.41718

>  <Cat> (264)
S8132

>  <Name> (264)
Deguelin

>  <Synonyms> (264)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (264)
Akt,PI3K

>  <Form> (264)
free base

>  <CAS> (264)
522-17-8

>  <URL> (264)
http://selleckchem.com/products/deguelin.html

$$$$
S4702 Sarcosine.cdx
csChFnd80/03292410462D

  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 N   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
    3.6373    2.1000    0.0000 O   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  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> (265)
3212

>  <Formula> (265)
C3H7NO2

>  <MolWeight> (265)
89.09318

>  <Cat> (265)
S4702

>  <Name> (265)
Sarcosine

>  <Synonyms> (265)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (265)
Amino acid transporter,GlyT,NMDAR

>  <Form> (265)
free base

>  <CAS> (265)
107-97-1

>  <URL> (265)
http://selleckchem.com/products/sarcosine.html

$$$$
ML390.cdx
csChFnd80/03292410462D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  2  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (266)
3224

>  <Formula> (266)
C21H21F3N2O3

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>  <Cat> (266)
S8382

>  <Name> (266)
ML390

>  <Synonyms> (266)
N/A

>  <Target> (266)
Dehydrogenase

>  <Form> (266)
free base

>  <CAS> (266)
2029049-79-2

>  <URL> (266)
http://selleckchem.com/products/ml390.html

$$$$
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csChFnd80/03292410462D

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>  <Mol_ID> (267)
3247

>  <Formula> (267)
C18H22N8O2

>  <MolWeight> (267)
382.41968

>  <Cat> (267)
S8163

>  <Name> (267)
Paxalisib (GDC-0084)

>  <Synonyms> (267)
RG7666

>  <Target> (267)
mTOR,PI3K

>  <Form> (267)
free base

>  <CAS> (267)
1382979-44-3

>  <URL> (267)
http://selleckchem.com/products/gdc-0084.html

$$$$
CC-115.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (268)
3254

>  <Formula> (268)
C16H16N8O

>  <MolWeight> (268)
336.35124

>  <Cat> (268)
S7891

>  <Name> (268)
CC-115

>  <Synonyms> (268)
N/A

>  <Target> (268)
DNA-PK,mTOR

>  <Form> (268)
free base

>  <CAS> (268)
1228013-15-7

>  <URL> (268)
http://selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (269)
3255

>  <Formula> (269)
C22H29N5O4S

>  <MolWeight> (269)
459.56176

>  <Cat> (269)
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>  <Name> (269)
CZ415

>  <Synonyms> (269)
N/A

>  <Target> (269)
mTOR

>  <Form> (269)
free base

>  <CAS> (269)
1429639-50-8

>  <URL> (269)
http://selleckchem.com/products/cz415.html

$$$$
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3267

>  <Formula> (270)
C19H10N2O3

>  <MolWeight> (270)
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>  <Synonyms> (270)
N/A

>  <Target> (270)
AMPK,Autophagy,CaMK

>  <Form> (270)
free base

>  <CAS> (270)
52029-86-4

>  <URL> (270)
http://selleckchem.com/products/sto-609.html

$$$$
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M  END
>  <Mol_ID> (271)
3273

>  <Formula> (271)
C26H28N6O

>  <MolWeight> (271)
440.54012

>  <Cat> (271)
S7937

>  <Name> (271)
Nemiralisib

>  <Synonyms> (271)
GSK2269557

>  <Target> (271)
PI3K

>  <Form> (271)
free base

>  <CAS> (271)
1254036-71-9

>  <URL> (271)
http://selleckchem.com/products/gsk2269557.html

$$$$
RRx-001.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (272)
3294

>  <Formula> (272)
C5H6BrN3O5

>  <MolWeight> (272)
268.02224

>  <Cat> (272)
S8405

>  <Name> (272)
RRx-001

>  <Synonyms> (272)
N/A

>  <Target> (272)
Apoptosis related,Dehydrogenase

>  <Form> (272)
free base

>  <CAS> (272)
925206-65-1

>  <URL> (272)
http://selleckchem.com/products/rrx-001.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (273)
3313

>  <Formula> (273)
C19H15N3O2

>  <MolWeight> (273)
317.3413

>  <Cat> (273)
S7954

>  <Name> (273)
CP21R7 (CP21)

>  <Synonyms> (273)
N/A

>  <Target> (273)
GSK-3,Wnt/beta-catenin

>  <Form> (273)
free base

>  <CAS> (273)
125314-13-8

>  <URL> (273)
http://selleckchem.com/products/cp21r7-cp21.html

$$$$
YC-1.cdx
csChFnd80/03292410462D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (274)
3314

>  <Formula> (274)
C19H16N2O2

>  <MolWeight> (274)
304.34254

>  <Cat> (274)
S7958

>  <Name> (274)
Lificiguat (YC-1)

>  <Synonyms> (274)
N/A

>  <Target> (274)
Guanylate Cyclase,HIF

>  <Form> (274)
free base

>  <CAS> (274)
170632-47-0

>  <URL> (274)
http://selleckchem.com/products/lificiguat-yc-1.html

$$$$
TGR-1202.cdx
csChFnd80/03292410462D

 42 47  0  0  0  0  0  0  0  0999 V2000
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1943733-16-1

>  <URL> (279)
http://selleckchem.com/products/yu238259.html

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C24H18N2O3S

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LTURM34

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DNA-PK

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free base

>  <CAS> (280)
1879887-96-3

>  <URL> (280)
http://selleckchem.com/products/lturm34.html

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3356

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C17H17F2N5O3S

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S8564

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Verubecestat (MK-8931)

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N/A

>  <Target> (281)
BACE

>  <Form> (281)
free base

>  <CAS> (281)
1286770-55-5

>  <URL> (281)
http://selleckchem.com/products/verubecestat.html

$$$$
GDC-0326.cdx
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>  <Mol_ID> (282)
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>  <Formula> (282)
C19H22N6O3

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GDC-0326

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N/A

>  <Target> (282)
PI3K

>  <Form> (282)
free base

>  <CAS> (282)
1282514-88-8

>  <URL> (282)
http://selleckchem.com/products/gdc-0326.html

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>  <Mol_ID> (283)
3370

>  <Formula> (283)
C18H17NO5

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>  <Name> (283)
3BDO

>  <Synonyms> (283)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (283)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (283)
free base

>  <CAS> (283)
890405-51-3

>  <URL> (283)
http://selleckchem.com/products/3bdo.html

$$$$
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>  <Mol_ID> (284)
3375

>  <Formula> (284)
C19H17NO5S

>  <MolWeight> (284)
371.40698

>  <Cat> (284)
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>  <Name> (284)
SF2523

>  <Synonyms> (284)
N/A

>  <Target> (284)
DNA-PK,Epigenetic Reader Domain,mTOR,PI3K

>  <Form> (284)
free base

>  <CAS> (284)
1174428-47-7

>  <URL> (284)
http://selleckchem.com/products/sf2523.html

$$$$
IPI-549.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (285)
3376

>  <Formula> (285)
C30H24N8O2

>  <MolWeight> (285)
528.56396

>  <Cat> (285)
S8330

>  <Name> (285)
Eganelisib (IPI-549)

>  <Synonyms> (285)
N/A

>  <Target> (285)
PI3K

>  <Form> (285)
free base

>  <CAS> (285)
1693758-51-8

>  <URL> (285)
http://selleckchem.com/products/ipi-549.html

$$$$
Tofogliflozin(CSG 452).cdx
csChFnd80/03292410462D

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>  <Mol_ID> (286)
3386

>  <Formula> (286)
C22H28O7

>  <MolWeight> (286)
404.45352

>  <Cat> (286)
S8558

>  <Name> (286)
Tofogliflozin(CSG 452)

>  <Synonyms> (286)
N/A

>  <Target> (286)
SGLT

>  <Form> (286)
hydrate

>  <CAS> (286)
1201913-82-7

>  <URL> (286)
http://selleckchem.com/products/tofogliflozin-csg-452.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/03292410462D

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>  <Mol_ID> (287)
3388

>  <Formula> (287)
C19H17N5O3

>  <MolWeight> (287)
363.36998

>  <Cat> (287)
S8581

>  <Name> (287)
Serabelisib (TAK-117)

>  <Synonyms> (287)
INK-1117, MLN-1117

>  <Target> (287)
PI3K

>  <Form> (287)
free base

>  <CAS> (287)
1268454-23-4

>  <URL> (287)
http://selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
¦Á-cyano-4-hydroxycinnamic acid(¦Á-CHCA).cdx
csChFnd80/03292410462D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (288)
3389

>  <Formula> (288)
C10H7NO3

>  <MolWeight> (288)
189.16748

>  <Cat> (288)
S8612

>  <Name> (288)
¦Á-cyano-4-hydroxycinnamic acid(¦Á-CHCA)

>  <Synonyms> (288)
N/A

>  <Target> (288)
MCT

>  <Form> (288)
free base

>  <CAS> (288)
28166-41-8

>  <URL> (288)
http://selleckchem.com/products/alpha-cyano-4-hydroxycinnamic-acid-alpha-chca.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/03292410462D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (289)
3390

>  <Formula> (289)
C2HCl2NaO2

>  <MolWeight> (289)
150.92391

>  <Cat> (289)
S8615

>  <Name> (289)
Sodium dichloroacetate (DCA)

>  <Synonyms> (289)
Dichloroacetic acid, bichloroacetic acid, BCA

>  <Target> (289)
Apoptosis related,Dehydrogenase,NKCC,ROS

>  <Form> (289)
sodium salt

>  <CAS> (289)
2156-56-1

>  <URL> (289)
http://selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
Autophinib.cdx
csChFnd80/03292410462D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 21 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (290)
3393

>  <Formula> (290)
C14H11ClN6O3

>  <MolWeight> (290)
346.72854

>  <Cat> (290)
S8596

>  <Name> (290)
Autophinib

>  <Synonyms> (290)
N/A

>  <Target> (290)
Autophagy,PI3K

>  <Form> (290)
free base

>  <CAS> (290)
1644443-47-9

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

$$$$
LW 6.cdx
csChFnd80/03292410462D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (291)
3395

>  <Formula> (291)
C26H29NO5

>  <MolWeight> (291)
435.51216

>  <Cat> (291)
S8441

>  <Name> (291)
LW 6

>  <Synonyms> (291)
CAY10585, AC1-001

>  <Target> (291)
HIF

>  <Form> (291)
free base

>  <CAS> (291)
934593-90-5

>  <URL> (291)
http://selleckchem.com/products/lw-6.html

$$$$
AG-881.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (292)
3397

>  <Formula> (292)
C14H13ClF6N6

>  <MolWeight> (292)
414.7366392

>  <Cat> (292)
S8611

>  <Name> (292)
Vorasidenib (AG-881)

>  <Synonyms> (292)
N/A

>  <Target> (292)
Dehydrogenase

>  <Form> (292)
free base

>  <CAS> (292)
1644545-52-7

>  <URL> (292)
http://selleckchem.com/products/ag-881.html

$$$$
NCT-503.cdx
csChFnd80/03292410462D

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>  <Mol_ID> (293)
3401

>  <Formula> (293)
C20H23F3N4S

>  <MolWeight> (293)
408.4836296

>  <Cat> (293)
S8619

>  <Name> (293)
NCT-503

>  <Synonyms> (293)
N/A

>  <Target> (293)
Dehydrogenase

>  <Form> (293)
free base

>  <CAS> (293)
1916571-90-8

>  <URL> (293)
http://selleckchem.com/products/nct-503.html

$$$$
Ipragliflozin(ASP1941).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (294)
3404

>  <Formula> (294)
C21H21FO5S

>  <MolWeight> (294)
404.4518432

>  <Cat> (294)
S8637

>  <Name> (294)
Ipragliflozin (ASP1941)

>  <Synonyms> (294)
N/A

>  <Target> (294)
SGLT

>  <Form> (294)
free base

>  <CAS> (294)
761423-87-4

>  <URL> (294)
http://selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
PF-06409577.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (295)
3416

>  <Formula> (295)
C19H16ClNO3

>  <MolWeight> (295)
341.78824

>  <Cat> (295)
S8335

>  <Name> (295)
PF-06409577

>  <Synonyms> (295)
N/A

>  <Target> (295)
AMPK

>  <Form> (295)
free base

>  <CAS> (295)
1467057-23-3

>  <URL> (295)
http://selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (296)
3419

>  <Formula> (296)
C18H19NO2S2

>  <MolWeight> (296)
345.47896

>  <Cat> (296)
S8616

>  <Name> (296)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (296)
PKM2-IN-1

>  <Target> (296)
PKM

>  <Form> (296)
free base

>  <CAS> (296)
94164-88-2

>  <URL> (296)
http://selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
3PO.cdx
csChFnd80/03292410462D

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M  END
>  <Mol_ID> (297)
3448

>  <Formula> (297)
C13H10N2O

>  <MolWeight> (297)
210.2313

>  <Cat> (297)
S7639

>  <Name> (297)
3PO

>  <Synonyms> (297)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (297)
PFKFB

>  <Form> (297)
free base

>  <CAS> (297)
18550-98-6

>  <URL> (297)
http://selleckchem.com/products/3po.html

$$$$
S5146 3-Methylpyrazole.cdx
csChFnd80/03292410462D

  6  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (298)
3449

>  <Formula> (298)
C4H6N2

>  <MolWeight> (298)
82.10384

>  <Cat> (298)
S5146

>  <Name> (298)
3-Methylpyrazole

>  <Synonyms> (298)
3-MP

>  <Target> (298)
Dehydrogenase

>  <Form> (298)
free base

>  <CAS> (298)
1453-58-3

>  <URL> (298)
http://selleckchem.com/products/3-methylpyrazole.html

$$$$
IPI-3063.cdx
csChFnd80/03292410462D

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 28 34  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <Mol_ID> (299)
3487

>  <Formula> (299)
C25H25N7O2

>  <MolWeight> (299)
455.5117

>  <Cat> (299)
S7335

>  <Name> (299)
IPI-3063

>  <Synonyms> (299)
N/A

>  <Target> (299)
PI3K

>  <Form> (299)
free base

>  <CAS> (299)
1425043-73-7

>  <URL> (299)
http://selleckchem.com/products/ipi-3063.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/03292410462D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (300)
3600

>  <Formula> (300)
C23H18FN5O2

>  <MolWeight> (300)
415.4197232

>  <Cat> (300)
S8672

>  <Name> (300)
Tenalisib (RP6530)

>  <Synonyms> (300)
N/A

>  <Target> (300)
PI3K

>  <Form> (300)
free base

>  <CAS> (300)
1639417-53-0

>  <URL> (300)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
S5097 Methotrexate disodium.cdx
csChFnd80/03292410462D

 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
   14.5816    4.2059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   20.6438    4.9059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   12.1567    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9401    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7164    4.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (301)
3620

>  <Formula> (301)
C20H20N8Na2O5

>  <MolWeight> (301)
498.40294

>  <Cat> (301)
S5097

>  <Name> (301)
Methotrexate disodium

>  <Synonyms> (301)
N/A

>  <Target> (301)
Dehydrogenase,DHFR

>  <Form> (301)
disodium salt

>  <CAS> (301)
7413-34-5

>  <URL> (301)
http://selleckchem.com/products/methotrexate-disodium.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/03292410462D

 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
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    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
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   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (302)
3653

>  <Formula> (302)
C10H16N5O8P

>  <MolWeight> (302)
365.236501

>  <Cat> (302)
S5284

>  <Name> (302)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (302)
5'-Adenylic acid, 5'-AMP

>  <Target> (302)
AMPK

>  <Form> (302)
hydrate

>  <CAS> (302)
18422-05-4

>  <URL> (302)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/03292410462D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (303)
3674

>  <Formula> (303)
C18H16N2O

>  <MolWeight> (303)
276.33244

>  <Cat> (303)
S5313

>  <Name> (303)
SC66

>  <Synonyms> (303)
N/A

>  <Target> (303)
Akt

>  <Form> (303)
free base

>  <CAS> (303)
871361-88-5

>  <URL> (303)
http://selleckchem.com/products/sc66.html

$$$$
S5317 UK 5099.cdx
csChFnd80/03292410462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (304)
3677

>  <Formula> (304)
C18H12N2O2

>  <MolWeight> (304)
288.30008

>  <Cat> (304)
S5317

>  <Name> (304)
UK 5099

>  <Synonyms> (304)
PF-1005023

>  <Target> (304)
Mitochondrial pyruvate carrier

>  <CAS> (304)
56396-35-1

>  <URL> (304)
http://selleckchem.com/products/uk5099.html

$$$$
AZD1390.cdx
csChFnd80/03292410462D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 35 11  1  0  0  0  0
M  END
>  <Mol_ID> (305)
3680

>  <Formula> (305)
C27H32FN5O2

>  <MolWeight> (305)
477.5736832

>  <Cat> (305)
S8680

>  <Name> (305)
AZD1390

>  <Synonyms> (305)
N/A

>  <Target> (305)
ATM/ATR

>  <Form> (305)
free base

>  <CAS> (305)
2089288-03-7

>  <URL> (305)
http://selleckchem.com/products/azd1390.html

$$$$
bpV (HOpic).cdx
csChFnd80/03292410462D

 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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  2  0  0  0  0
  2 11  1  0  0  0  0
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M  END
>  <Mol_ID> (306)
3731

>  <Formula> (306)
C6H4K2NO8V

>  <MolWeight> (306)
347.23596

>  <Cat> (306)
S8651

>  <Name> (306)
bpV (HOpic)

>  <Synonyms> (306)
Bisperoxovanadium (HOpic)

>  <Target> (306)
PTEN

>  <Form> (306)
potassium

>  <CAS> (306)
722494-26-0

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

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/03292410462D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (307)
3739

>  <Formula> (307)
C21H28O2

>  <MolWeight> (307)
312.44582

>  <Cat> (307)
S3792

>  <Name> (307)
Guggulsterone E&Z

>  <Synonyms> (307)
N/A

>  <Target> (307)
FXR

>  <Form> (307)
free base

>  <CAS> (307)
95975-55-6

>  <URL> (307)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/03292410462D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (308)
3754

>  <Formula> (308)
C3H8NO6P

>  <MolWeight> (308)
185.072481

>  <Cat> (308)
S5137

>  <Name> (308)
O-Phospho-L-serine

>  <Synonyms> (308)
Dexfosfoserine

>  <Target> (308)
GluR

>  <Form> (308)
free base

>  <CAS> (308)
407-41-0

>  <URL> (308)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5325 Nitisinone.cdx
csChFnd80/03292410462D

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    3.6374    4.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (309)
3758

>  <Formula> (309)
C14H10F3NO5

>  <MolWeight> (309)
329.2281096

>  <Cat> (309)
S5325

>  <Name> (309)
Nitisinone

>  <Synonyms> (309)
NTBC, Nitisone, SC0735

>  <Target> (309)
Others

>  <Form> (309)
free base

>  <CAS> (309)
104206-65-7

>  <URL> (309)
http://selleckchem.com/products/nitisinone.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/03292410462D

 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> (310)
3793

>  <Formula> (310)
C22H42O2

>  <MolWeight> (310)
338.56768

>  <Cat> (310)
S5383

>  <Name> (310)
Erucic acid

>  <Synonyms> (310)
cis-13-docosenoic acid

>  <Target> (310)
PI3K

>  <Form> (310)
free base

>  <CAS> (310)
112-86-7

>  <URL> (310)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5425 Phenylglyoxal hydrate.cdx
csChFnd80/03292410462D

 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> (311)
3804

>  <Formula> (311)
C8H8O3

>  <MolWeight> (311)
152.14732

>  <Cat> (311)
S5425

>  <Name> (311)
Phenylglyoxal hydrate

>  <Synonyms> (311)
1-Phenylethanedione hydrate

>  <Target> (311)
Dehydrogenase

>  <Form> (311)
free base

>  <CAS> (311)
1075-06-5

>  <URL> (311)
http://selleckchem.com/products/phenylglyoxal-hydrate.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/03292410462D

  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> (312)
3805

>  <Formula> (312)
C3H3BrO3

>  <MolWeight> (312)
166.95812

>  <Cat> (312)
S5426

>  <Name> (312)
Bromopyruvic acid

>  <Synonyms> (312)
3-Bromopyruvic acid, 3-Bromopyruvate, Bromopyruvic acid, Hexokinase II Inhibitor II, 3-BP

>  <Target> (312)
Carbohydrate Metabolism

>  <Form> (312)
free base

>  <CAS> (312)
1113-59-3

>  <URL> (312)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/03292410462D

 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> (313)
3826

>  <Formula> (313)
C20H20O4

>  <MolWeight> (313)
324.3704

>  <Cat> (313)
S5456

>  <Name> (313)
Isobavachalcone

>  <Synonyms> (313)
Corylifolinin

>  <Target> (313)
Bacterial

>  <Form> (313)
free base

>  <CAS> (313)
20784-50-3

>  <URL> (313)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5486 Fluorometholone.cdx
csChFnd80/03292410462D

 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> (314)
3844

>  <Formula> (314)
C22H29FO4

>  <MolWeight> (314)
376.4616632

>  <Cat> (314)
S5486

>  <Name> (314)
Fluorometholone

>  <Synonyms> (314)
Oxylone

>  <Target> (314)
Glucocorticoid Receptor

>  <Form> (314)
free base

>  <CAS> (314)
426-13-1

>  <URL> (314)
http://selleckchem.com/products/fluorometholone.html

$$$$
S5518 D-Glucose 6-phosphate disodium salt.cdx
csChFnd80/03292410462D

 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
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M  END
>  <Mol_ID> (315)
3852

>  <Formula> (315)
C6H11Na2O9P

>  <MolWeight> (315)
304.099441

>  <Cat> (315)
S5518

>  <Name> (315)
D-Glucose 6-phosphate disodium salt

>  <Synonyms> (315)
N/A

>  <Target> (315)
Others

>  <Form> (315)
disodium salt

>  <CAS> (315)
3671-99-6

>  <URL> (315)
http://selleckchem.com/products/d-glucose-6-phosphate-disodium-salt.html

$$$$
S5545 DL-Serine.cdx
csChFnd80/03292410462D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (316)
3866

>  <Formula> (316)
C3H7NO3

>  <MolWeight> (316)
105.09258

>  <Cat> (316)
S5545

>  <Name> (316)
DL-Serine

>  <Synonyms> (316)
N/A

>  <Target> (316)
PKM

>  <CAS> (316)
302-84-1

>  <URL> (316)
http://selleckchem.com/products/dl-serine.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/03292410462D

 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
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 14 18  1  0  0  0  0
  1  8  1  1  0  0  0
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 29 30  1  0  0  0  0
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 31 33  1  6  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (317)
3878

>  <Formula> (317)
C24H35ClO9

>  <MolWeight> (317)
502.9823

>  <Cat> (317)
S5566

>  <Name> (317)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (317)
N/A

>  <Target> (317)
SGLT

>  <Form> (317)
monohydrate

>  <CAS> (317)
960404-48-2

>  <URL> (317)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S5360 Diflorasone.cdx
csChFnd80/03292410462D

 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
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    4.8527    5.6231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2178    5.5912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (318)
3936

>  <Formula> (318)
C22H28F2O5

>  <MolWeight> (318)
410.4515264

>  <Cat> (318)
S5360

>  <Name> (318)
Diflorasone

>  <Synonyms> (318)
N/A

>  <Target> (318)
Immunology & Inflammation related

>  <Form> (318)
free base

>  <CAS> (318)
2557-49-5

>  <URL> (318)
https://www.selleckchem.com/products/diflorasone.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/03292410462D

 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
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M  END
>  <Mol_ID> (319)
3946

>  <Formula> (319)
C22H25ClO7

>  <MolWeight> (319)
436.8827

>  <Cat> (319)
S5413

>  <Name> (319)
Ertugliflozin

>  <Synonyms> (319)
MK-8835, PF-04971729

>  <Target> (319)
SGLT

>  <Form> (319)
free base

>  <CAS> (319)
1210344-57-2

>  <URL> (319)
https://www.selleckchem.com/products/ertugliflozin.html

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/03292410462D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (320)
3963

>  <Formula> (320)
C23H32O6

>  <MolWeight> (320)
404.49658

>  <Cat> (320)
S5501

>  <Name> (320)
Hydrocortisone acetate

>  <Synonyms> (320)
Cortisol 21-acetate

>  <Target> (320)
Immunology & Inflammation related

>  <Form> (320)
free base

>  <CAS> (320)
50-03-3

>  <URL> (320)
https://www.selleckchem.com/products/hydrocortisone-acetate.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/03292410462D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (321)
4018

>  <Formula> (321)
C15H24N2O2

>  <MolWeight> (321)
264.36326

>  <Cat> (321)
S9384

>  <Name> (321)
Sophocarpine Monohydrate

>  <Target> (321)
Immunology & Inflammation related

>  <Form> (321)
free base

>  <CAS> (321)
145572-44-7

>  <URL> (321)
https://www.selleckchem.com/products/sophocarpine-monohydrate.html

$$$$

csChFnd80/03292410462D

 63 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (322)
4100

>  <Formula> (322)
C48H52F2O11S2

>  <MolWeight> (322)
907.0466864

>  <Cat> (322)
S5901

>  <Name> (322)
Canagliflozin hemihydrate

>  <Synonyms> (322)
N/A

>  <Target> (322)
SGLT

>  <Form> (322)
hemihydrate

>  <CAS> (322)
928672-86-0

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

$$$$

csChFnd80/03292410462D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.7472    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (323)
4132

>  <Formula> (323)
C17H16N4O2S2

>  <MolWeight> (323)
372.46454

>  <Cat> (323)
S7302

>  <Name> (323)
TEPP-46 (ML265)

>  <Synonyms> (323)
CID-44246499, NCGC00186528

>  <Target> (323)
PKM

>  <Form> (323)
Free Base

>  <CAS> (323)
1221186-53-3

>  <URL> (323)
http://www.selleckchem.com/products/tepp-46.html

$$$$

csChFnd80/03292410462D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (324)
4135

>  <Formula> (324)
C17H12F3NO4S

>  <MolWeight> (324)
383.3416896

>  <Cat> (324)
S8352

>  <Name> (324)
PT2385

>  <Synonyms> (324)
N/A

>  <Target> (324)
HIF

>  <Form> (324)
Free Base

>  <CAS> (324)
1672665-49-4

>  <URL> (324)
http://www.selleckchem.com/products/pt2385.html

$$$$

csChFnd80/03292410462D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 27 28  2  0  0  0  0
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 33 12  1  0  0  0  0
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M  END
>  <Mol_ID> (325)
4139

>  <Formula> (325)
C23H14ClF3N6O

>  <MolWeight> (325)
482.8450696

>  <Cat> (325)
S8560

>  <Name> (325)
Seletalisib (UCB-5857)

>  <Synonyms> (325)
N/A

>  <Target> (325)
PI3K

>  <Form> (325)
Free Base

>  <CAS> (325)
1362850-20-1

>  <URL> (325)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/03292410462D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (326)
4143

>  <Formula> (326)
C24H18ClN3O3

>  <MolWeight> (326)
431.87102

>  <Cat> (326)
S8654

>  <Name> (326)
ex229 (compound 991)

>  <Synonyms> (326)
N/A

>  <Target> (326)
AMPK

>  <Form> (326)
Free Base

>  <CAS> (326)
1219739-36-2

>  <URL> (326)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/03292410462D

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M  END
>  <Mol_ID> (327)
4152

>  <Formula> (327)
C17H20F3N7O2

>  <MolWeight> (327)
411.3816096

>  <Cat> (327)
S8738

>  <Name> (327)
Bimiralisib (PQR309)

>  <Synonyms> (327)
N/A

>  <Target> (327)
mTOR,PI3K

>  <Form> (327)
Free Base

>  <CAS> (327)
1225037-39-7

>  <URL> (327)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/03292410462D

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    7.3435    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1311    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7684    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9808    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9808    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1272    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1966    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2598    2.2528    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
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  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  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
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 11  1  0  0  0  0
 14 18  1  0  0  0  0
 19 18  1  6  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 26 27  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
M  END
>  <Mol_ID> (328)
4158

>  <Formula> (328)
C21H25F3N6O2

>  <MolWeight> (328)
450.4574096

>  <Cat> (328)
S8752

>  <Name> (328)
leniolisib (CDZ 173)

>  <Synonyms> (328)
N/A

>  <Target> (328)
PI3K

>  <Form> (328)
Free Base

>  <CAS> (328)
1354690-24-6

>  <URL> (328)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/03292410462D

 36 41  0  0  0  0  0  0  0  0999 V2000
   10.3779    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8650    2.8000    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  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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 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  9  1  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  7  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 27  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (329)
4165

>  <Formula> (329)
C26H23FN8O

>  <MolWeight> (329)
482.5122232

>  <Cat> (329)
S8764

>  <Name> (329)
IITZ-01

>  <Synonyms> (329)
N/A

>  <Target> (329)
Autophagy

>  <Form> (329)
Free Base

>  <CAS> (329)
1807988-47-1

>  <URL> (329)
http://www.selleckchem.com/products/iitz-01.html

$$$$

csChFnd80/03292410462D

 27 31  0  0  0  0  0  0  0  0999 V2000
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    5.5711    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2084    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2706    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3797    1.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  8  1  0  0  0  0
 25 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (330)
4167

>  <Formula> (330)
C23H32N2O2

>  <MolWeight> (330)
368.51238

>  <Cat> (330)
S8771

>  <Name> (330)
IDF-11774

>  <Synonyms> (330)
N/A

>  <Target> (330)
HIF

>  <Form> (330)
Free Base

>  <CAS> (330)
1429054-28-3

>  <URL> (330)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/03292410462D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6120    6.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    4.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    6.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7155    2.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9362    2.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 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 11  2  0  0  0  0
  9 12  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
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (331)
4244

>  <Formula> (331)
C16H12O7

>  <MolWeight> (331)
316.26228

>  <Cat> (331)
S9111

>  <Name> (331)
Isorhamnetin

>  <Synonyms> (331)
3-methylquercetin, 3'-Methoxyquercetin, Isorhamnetol

>  <Target> (331)
Tyrosinase

>  <Form> (331)
free base

>  <CAS> (331)
480-19-3

>  <URL> (331)
https://www.selleckchem.com/products/isorhamnetin.html

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/03292410462D

 65 73  0  0  0  0  0  0  0  0999 V2000
   12.1362   10.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    9.2065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3470    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3470   11.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7686   11.3011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2041   11.3011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2041   12.7067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9865   13.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686   12.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4081   13.4026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   21.8366   13.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 49 33  1  1  0  0  0
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M  END
>  <Mol_ID> (332)
4247

>  <Formula> (332)
C44H70O16

>  <MolWeight> (332)
855.017

>  <Cat> (332)
S9114

>  <Name> (332)
Polyphyllin I

>  <Target> (332)
JNK

>  <Form> (332)
free base

>  <CAS> (332)
50773-41-6

>  <URL> (332)
https://www.selleckchem.com/products/polyphyllin-i.html

$$$$
S9172 Phellodendrine.cdx
csChFnd80/03292410462D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
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    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  1  1  0  0  0  0
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 11  4  1  0  0  0  0
  4  5  1  0  0  0  0
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 13  6  1  0  0  0  0
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 12  7  2  0  0  0  0
 10  9  1  0  0  0  0
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 15 10  2  0  0  0  0
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M  END
>  <Mol_ID> (333)
4291

>  <Formula> (333)
C20H24NO4+

>  <MolWeight> (333)
342.40886

>  <Cat> (333)
S9172

>  <Name> (333)
Phellodendrine

>  <Target> (333)
Immunology & Inflammation related

>  <Form> (333)
free base

>  <CAS> (333)
6873-13-8

>  <URL> (333)
https://www.selleckchem.com/products/phellodendrine.html

$$$$
S9190 Oroxin B.cdx
csChFnd80/03292410462D

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   10.9119    8.4000    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
  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
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
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  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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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
 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
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 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
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M  END
>  <Mol_ID> (334)
4306

>  <Formula> (334)
C27H30O15

>  <MolWeight> (334)
594.5181

>  <Cat> (334)
S9190

>  <Name> (334)
Oroxin B

>  <Synonyms> (334)
Hypocretin-2

>  <Target> (334)
Akt,Apoptosis related,COX,PI3K,PTEN

>  <Form> (334)
free base

>  <CAS> (334)
114482-86-9

>  <URL> (334)
https://www.selleckchem.com/products/oroxin-b.html

$$$$

csChFnd80/03292410462D

 21 24  0  0  0  0  0  0  0  0999 V2000
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    0.0000    6.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2267    8.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1614    2.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6435    4.9499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9186    4.3718    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  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> (335)
4326

>  <Formula> (335)
C16H11N3O2

>  <MolWeight> (335)
277.27744

>  <Cat> (335)
S2009

>  <Name> (335)
Indirubin-3'-monoxime

>  <Synonyms> (335)
Indirubin-3'-oxime

>  <Target> (335)
CDK

>  <Form> (335)
Free Base

>  <CAS> (335)
160807-49-8

>  <URL> (335)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/03292410462D

  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
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (336)
4621

>  <Formula> (336)
C3H7NO2

>  <MolWeight> (336)
89.09318

>  <Cat> (336)
S5526

>  <Name> (336)
¦Â-Alanine

>  <Synonyms> (336)
beta-Alanine, 3-Aminopropanoic acid

>  <Target> (336)
Others

>  <Form> (336)
Free Base

>  <CAS> (336)
107-95-9

>  <URL> (336)
http://www.selleckchem.com/products/beta-alanine.html

$$$$

csChFnd80/03292410462D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0787    2.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8783    2.8222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2883    2.8222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0655    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    2.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8871    4.2178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8649    1.4178    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2883    4.2178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6176    2.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4591    2.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    3.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6775    4.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6176    4.6432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3017    5.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4328    3.5356    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4591    0.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451    2.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0695    5.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8374    3.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4253    6.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1568    7.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8861    7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
  3 29  1  6  0  0  0
M  END
>  <Mol_ID> (337)
4640

>  <Formula> (337)
C22H29FO4

>  <MolWeight> (337)
376.4616632

>  <Cat> (337)
S5685

>  <Name> (337)
Desoximetasone

>  <Synonyms> (337)
Desoxymethasone, Desoximetasonum

>  <Target> (337)
Glucocorticoid Receptor

>  <Form> (337)
Free Base

>  <CAS> (337)
382-67-2

>  <URL> (337)
http://www.selleckchem.com/products/desoximetasone.html

$$$$

csChFnd80/03292410462D

 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
   15.7617    6.4509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.7509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6995    5.7509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.6509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.9509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1334    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    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  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 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
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 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
 28 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (338)
4666

>  <Formula> (338)
C26H52N6O11S

>  <MolWeight> (338)
656.78968

>  <Cat> (338)
S5742

>  <Name> (338)
Deferoxamine mesylate (Ba 33112)

>  <Synonyms> (338)
Desferrioxamine B, DFOM, NSC 644468

>  <Target> (338)
Autophagy,Beta Amyloid,Ferroptosis,HIF

>  <Form> (338)
mesylate

>  <CAS> (338)
138-14-7

>  <URL> (338)
http://www.selleckchem.com/products/deferoxamine-mesylate.html

$$$$

csChFnd80/03292410462D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2522    6.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0437    5.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    5.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522    7.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0437    4.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326    6.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6885    6.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    4.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0483    8.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4710    8.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8263    3.4652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8326    7.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9067    5.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307    4.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8263    2.0851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1246    6.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    3.4648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6404    1.4004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0471    1.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    7.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2920    5.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    2.1081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2107    4.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3086    8.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4688    6.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    1.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (339)
4671

>  <Formula> (339)
C21H24O9

>  <MolWeight> (339)
420.40986

>  <Cat> (339)
S5748

>  <Name> (339)
4¡ä-Deoxyphlorizin

>  <Synonyms> (339)
N/A

>  <Target> (339)
GLUT

>  <Form> (339)
Free Base

>  <CAS> (339)
4319-68-0

>  <URL> (339)
http://www.selleckchem.com/products/4-deoxyphlorizin.html

$$$$

csChFnd80/03292410462D

 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
    2.4249    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 Cl  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
   11.0308    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    2.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.8000    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
    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> (340)
4710

>  <Formula> (340)
C15H11Cl2NO3

>  <MolWeight> (340)
324.15874

>  <Cat> (340)
S5800

>  <Name> (340)
Alda 1

>  <Synonyms> (340)
N/A

>  <Target> (340)
Dehydrogenase

>  <Form> (340)
Free Base

>  <CAS> (340)
349438-38-6

>  <URL> (340)
http://www.selleckchem.com/products/alda-1.html

$$$$

csChFnd80/03292410462D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    2.8014    1.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003    2.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3986    6.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3003    2.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3992    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1001    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0983    2.4249    0.0000 N   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
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 11  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (341)
4722

>  <Formula> (341)
C12H17N3O3S

>  <MolWeight> (341)
283.34668

>  <Cat> (341)
S5814

>  <Name> (341)
cariporide

>  <Synonyms> (341)
HOE-642

>  <Target> (341)
Sodium Channel

>  <Form> (341)
Free Base

>  <CAS> (341)
159138-80-4

>  <URL> (341)
http://www.selleckchem.com/products/cariporide.html

$$$$

csChFnd80/03292410462D

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.3150    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8901    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2528    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2528    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6777    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1648    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  4 11  2  0  0  0  0
 12 13  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 15 23  1  0  0  0  0
 18 23  2  0  0  0  0
 14 22  1  0  0  0  0
 12 14  1  0  0  0  0
  2 12  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
  3 24  1  0  0  0  0
  7 30  1  0  0  0  0
M  END
>  <Mol_ID> (342)
4726

>  <Formula> (342)
C21H16FN7O

>  <MolWeight> (342)
401.3964432

>  <Cat> (342)
S5818

>  <Name> (342)
acalisib (GS-9820)

>  <Synonyms> (342)
CAL-120

>  <Target> (342)
PI3K

>  <Form> (342)
Free Base

>  <CAS> (342)
870281-34-8

>  <URL> (342)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/03292410462D

 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
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   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
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    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
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    2.4286    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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> (343)
4748

>  <Formula> (343)
C27H19ClN2O3

>  <MolWeight> (343)
454.90436

>  <Cat> (343)
S8803

>  <Name> (343)
MK-3903

>  <Synonyms> (343)
N/A

>  <Target> (343)
AMPK

>  <Form> (343)
Free Base

>  <CAS> (343)
1219737-12-8

>  <URL> (343)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/03292410462D

 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
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    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> (344)
4851

>  <Formula> (344)
C10H10O2

>  <MolWeight> (344)
162.1852

>  <Cat> (344)
S6221

>  <Name> (344)
Methyl cinnamate

>  <Synonyms> (344)
N/A

>  <Target> (344)
AMPK,CaMK,Tyrosinase

>  <Form> (344)
free base

>  <CAS> (344)
103-26-4

>  <URL> (344)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/03292410462D

  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> (345)
4860

>  <Formula> (345)
C3H5NaO3

>  <MolWeight> (345)
112.05977

>  <Cat> (345)
S6010

>  <Name> (345)
Sodium L-lactate

>  <Synonyms> (345)
N/A

>  <Target> (345)
Others

>  <Form> (345)
free base

>  <CAS> (345)
867-56-1

>  <URL> (345)
http://www.selleck.cn/products/sodium-l-lactate.html

$$$$

csChFnd80/03292410462D

 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> (346)
4870

>  <Formula> (346)
C6H12O6

>  <MolWeight> (346)
180.15588

>  <Cat> (346)
S6028

>  <Name> (346)
¦Á-D-Glucose anhydrous

>  <Synonyms> (346)
N/A

>  <Target> (346)
Others

>  <Form> (346)
free base

>  <CAS> (346)
492-62-6

>  <URL> (346)
http://www.selleck.cn/products/a-d-glucose-anhydrous.html

$$$$

csChFnd80/03292410462D

  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> (347)
4960

>  <Formula> (347)
C5H8O3

>  <MolWeight> (347)
116.11522

>  <Cat> (347)
S6243

>  <Name> (347)
Ethyl pyruvate

>  <Synonyms> (347)
CTI-01

>  <Target> (347)
Anti-infection,Immunology & Inflammation related

>  <Form> (347)
free base

>  <CAS> (347)
617-35-6

>  <URL> (347)
http://www.selleck.cn/products/ethyl-pyruvate.html

$$$$

csChFnd80/03292410462D

 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> (348)
4968

>  <Formula> (348)
C9H10O2

>  <MolWeight> (348)
150.1745

>  <Cat> (348)
S6254

>  <Name> (348)
Hydrocinnamic acid

>  <Synonyms> (348)
3-phenylpropionic acid, Benzylacetic acid

>  <Target> (348)
Fungal

>  <Form> (348)
free base

>  <CAS> (348)
501-52-0

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

$$$$

csChFnd80/03292410462D

 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
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    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
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  6  0  0  0
 32 35  1  1  0  0  0
 32 33  1  0  0  0  0
 33 36  1  6  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  END
>  <Mol_ID> (349)
5033

>  <Formula> (349)
C21H27N7Na2O14P2

>  <MolWeight> (349)
709.404642

>  <Cat> (349)
S6349

>  <Name> (349)
NADH Disodium Salt Hydrate

>  <Synonyms> (349)
N/A

>  <Target> (349)
Others

>  <Form> (349)
hydrate

>  <CAS> (349)
606-68-8

>  <URL> (349)
http://www.selleck.cn/products/nadh-disodium-salt-hydrate.html

$$$$

csChFnd80/03292410462D

 59 65  0  0  0  0  0  0  0  0999 V2000
    2.7179    6.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4265    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    5.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8438    6.3339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7252    7.7456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5669    8.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2249    8.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9376    8.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5697    9.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294   10.3684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3983    9.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9983    9.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3072    2.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 42  1  0  0  0  0
 45 46  2  0  0  0  0
 43 47  2  0  0  0  0
 44 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 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 48  1  0  0  0  0
 49 54  2  0  0  0  0
 51 55  2  0  0  0  0
 31 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 32  1  0  0  0  0
M  END
>  <Mol_ID> (350)
5042

>  <Formula> (350)
C42H45ClN8O7S

>  <MolWeight> (350)
841.3741

>  <Cat> (350)
S8762

>  <Name> (350)
dBET6

>  <Synonyms> (350)
N/A

>  <Target> (350)
Apoptosis related,Epigenetic Reader Domain,Myc,PROTAC

>  <Form> (350)
free base

>  <CAS> (350)
1950634-92-0

>  <URL> (350)
http://www.selleck.cn/products/dbet6.html

$$$$

csChFnd80/03292410462D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    1.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423    2.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    3.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    4.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289    1.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6632    0.3911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0377    2.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9901    0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1229    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2554    0.8231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8225    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4225    2.1543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6424    3.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0300    3.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5998    1.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9922    1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8149    2.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2452    4.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8528    4.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2026    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.0367    3.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.2446    1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4576    1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6704    1.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6704    3.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4578    3.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (351)
5044

>  <Formula> (351)
C25H26N8O2S2

>  <MolWeight> (351)
534.65634

>  <Cat> (351)
S8778

>  <Name> (351)
UPGL00004

>  <Synonyms> (351)
N/A

>  <Target> (351)
Glutaminase

>  <Form> (351)
free base

>  <CAS> (351)
1890169-95-5

>  <URL> (351)
http://www.selleck.cn/products/upgl00004.html

$$$$

csChFnd80/03292410462D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4515    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4515    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3013    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3013    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5137    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7261    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9386    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1510    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9386    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5759    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5759    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3634    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1510    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7483    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
>  <Mol_ID> (352)
5047

>  <Formula> (352)
C18H11F3N2O

>  <MolWeight> (352)
328.2879496

>  <Cat> (352)
S8807

>  <Name> (352)
PFK158

>  <Synonyms> (352)
N/A

>  <Target> (352)
Autophagy,PFKFB

>  <Form> (352)
free base

>  <CAS> (352)
1462249-75-7

>  <URL> (352)
http://www.selleck.cn/products/pfk158.html

$$$$

csChFnd80/03292410462D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8505    1.4009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6363    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    3.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    3.5009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (353)
5080

>  <Formula> (353)
C5H9NO4

>  <MolWeight> (353)
147.12926

>  <Cat> (353)
S6266

>  <Name> (353)
(S)-Glutamic acid

>  <Synonyms> (353)
L-Glutamic acid

>  <Target> (353)
GluR

>  <Form> (353)
free base

>  <CAS> (353)
56-86-0

>  <URL> (353)
http://www.selleck.cn/products/s-glutamic-acid.html

$$$$

csChFnd80/03292410462D

 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
    2.9927    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.7803    2.8000    0.0000 O   0  0  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> (354)
5083

>  <Formula> (354)
C6H11Na3O12P2

>  <MolWeight> (354)
406.061172

>  <Cat> (354)
S6290

>  <Name> (354)
D-Fructose-1,6-diphosphate trisodium salt octahydrate

>  <Synonyms> (354)
FBP trisodium salt octahydrate

>  <Target> (354)
Others

>  <Form> (354)
trisodium salt octahydrate

>  <CAS> (354)
38099-82-0

>  <URL> (354)
http://www.selleck.cn/products/d-fructose-1-6-diphosphate-trisodium-salt-octahydrate.html

$$$$

csChFnd80/03292410462D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   16.8000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8001    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4002    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7001    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7002    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3002    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3002    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2002    2.4248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 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
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 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> (355)
5117

>  <Formula> (355)
C24H29N3O2

>  <MolWeight> (355)
391.50596

>  <Cat> (355)
S2799

>  <Name> (355)
Daporinad

>  <Synonyms> (355)
FK866, APO866

>  <Target> (355)
Autophagy,NAMPT,Transferase

>  <Form> (355)
Free Base

>  <CAS> (355)
658084-64-1

>  <URL> (355)
http://www.selleck.cn/products/apo866-fk866.html

$$$$

csChFnd80/03292410462D

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  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
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 24 20  1  0  0  0  0
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 31 28  1  0  0  0  0
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M  END
>  <Mol_ID> (356)
5158

>  <Formula> (356)
C23H26N6O2

>  <MolWeight> (356)
418.49154

>  <Cat> (356)
S6414

>  <Name> (356)
Apilimod (STA-5326)

>  <Synonyms> (356)
STA-5326

>  <Target> (356)
Interleukins,PIKfyve

>  <Form> (356)
Free Base

>  <CAS> (356)
541550-19-0

>  <URL> (356)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/03292410462D

 26 29  0  0  0  0  0  0  0  0999 V2000
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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
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (357)
5161

>  <Formula> (357)
C21H20N4O

>  <MolWeight> (357)
344.4097

>  <Cat> (357)
S6417

>  <Name> (357)
GK921

>  <Synonyms> (357)
N/A

>  <Target> (357)
Glutaminase

>  <Form> (357)
Free Base

>  <CAS> (357)
1025015-40-0

>  <URL> (357)
http://www.selleck.cn/products/gk921.html

$$$$

csChFnd80/03292410462D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  6  9  2  0  0  0  0
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  8 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
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 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (358)
5178

>  <Formula> (358)
C17H19N3O2S

>  <MolWeight> (358)
329.41666

>  <Cat> (358)
S6438

>  <Name> (358)
Ufiprazole

>  <Synonyms> (358)
Omeprazole sulfide

>  <Target> (358)
Proton Pump

>  <Form> (358)
Free Base

>  <CAS> (358)
73590-85-9

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

$$$$

csChFnd80/03292410462D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (359)
5197

>  <Formula> (359)
C10H13N3O5S

>  <MolWeight> (359)
287.29232

>  <Cat> (359)
S6459

>  <Name> (359)
Nifurtimox

>  <Synonyms> (359)
BAY-2502

>  <Target> (359)
Anti-infection

>  <Form> (359)
Free Base

>  <CAS> (359)
23256-30-6

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

$$$$

csChFnd80/03292410462D

 39 42  0  0  0  0  0  0  0  0999 V2000
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Liver X Receptor

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Free Base

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1613028-81-1

>  <URL> (360)
http://www.selleck.cn/products/sr9243.html

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N/A

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MCT

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Free Base

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724440-27-1

>  <URL> (361)
http://www.selleck.cn/products/bay-8002.html

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>  <Synonyms> (362)
N/A

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BACE

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free base

>  <CAS> (362)
333745-53-2

>  <URL> (362)
http://www.selleck.cn/products/lx2343.html

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>  <Mol_ID> (363)
6491

>  <Formula> (363)
C16H15N3O2

>  <MolWeight> (363)
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>  <Cat> (363)
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>  <Name> (363)
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>  <Synonyms> (363)
N/A

>  <Target> (363)
DNA-PK,mTOR

>  <Form> (363)
free base

>  <CAS> (363)
168425-64-7

>  <URL> (363)
http://www.selleck.cn/products/compound-401.html

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256925-03-8

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1472624-85-3

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38136-70-8

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1808714-73-9

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1402608-02-9

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>  <Name> (376)
ligustroflavone

>  <Synonyms> (376)
Nuezhenoside

>  <Target> (376)
AMPK

>  <Form> (376)
Free Base

>  <CAS> (376)
260413-62-5

>  <URL> (376)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/03292410462D

 60 66  0  0  0  0  0  0  0  0999 V2000
   15.3605    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1481    5.4122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.3605    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3605    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1481    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2483    9.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9357    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9357    6.1124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9357    4.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7231    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5108    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2984    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0860    1.9123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.5108    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5108    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5108    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7231    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7231    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9357    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1481    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3605    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0  0  0  0
  8  5  1  0  0  0  0
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  2  9  1  0  0  0  0
  9 10  1  1  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
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 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  6  0  0  0
 29 27  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 29  1  0  0  0  0
 21 33  1  0  0  0  0
 34 19  1  0  0  0  0
 34 35  1  0  0  0  0
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 37 34  1  0  0  0  0
 16 37  1  0  0  0  0
 37 38  1  6  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 41 14  1  0  0  0  0
 41 42  1  1  0  0  0
 43 41  1  0  0  0  0
 11 43  1  0  0  0  0
 43 44  1  6  0  0  0
 45 43  1  0  0  0  0
  2 46  1  0  0  0  0
 46 45  1  0  0  0  0
 16 47  1  1  0  0  0
  1 48  2  0  0  0  0
  1 49  1  0  0  0  0
 50 49  1  1  0  0  0
 50 51  1  0  0  0  0
 51 52  1  6  0  0  0
 51 53  1  0  0  0  0
 53 54  1  1  0  0  0
 53 55  1  0  0  0  0
 55 56  1  6  0  0  0
 57 55  1  0  0  0  0
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 60 57  1  0  0  0  0
 50 60  1  0  0  0  0
M  END
>  <Mol_ID> (377)
6745

>  <Formula> (377)
C42H66O14

>  <MolWeight> (377)
794.96504

>  <Cat> (377)
S9116

>  <Name> (377)
Chikusetsusaponin IVa

>  <Synonyms> (377)
Calenduloside F

>  <Target> (377)
AMPK,Immunology & Inflammation related

>  <Form> (377)
Free Base

>  <CAS> (377)
51415-02-2

>  <URL> (377)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/03292410462D

 65 70  0  0  0  0  0  0  0  0999 V2000
    2.1000    8.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    8.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   12.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (378)
6794

>  <Formula> (378)
C46H51F3N6O8S2

>  <MolWeight> (378)
937.0577496

>  <Cat> (378)
S8953

>  <Name> (378)
ASP4132

>  <Synonyms> (378)
N/A

>  <Target> (378)
AMPK

>  <Form> (378)
Free Base

>  <CAS> (378)
1640294-30-9

>  <URL> (378)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/03292410462D

 33 38  0  0  0  0  0  0  0  0999 V2000
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    7.9911    3.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8490    4.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8490    3.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365    5.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365    2.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241    3.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241    4.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2413    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    2.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6465    4.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1063    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1319    5.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    5.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1319    8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8319    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4412    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 30  2  0  0  0  0
  6 20  1  0  0  0  0
  6 31  2  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 28 32  2  0  0  0  0
 29 33  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (379)
6795

>  <Formula> (379)
C26H23N5O2

>  <MolWeight> (379)
437.49312

>  <Cat> (379)
S8961

>  <Name> (379)
Alobresib (GS-5829)

>  <Synonyms> (379)
N/A

>  <Target> (379)
Akt,Apoptosis related,Epigenetic Reader Domain,ERK,Myc,NF-¦ÊB

>  <Form> (379)
Free Base

>  <CAS> (379)
1637771-14-2

>  <URL> (379)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/03292410462D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.7077    0.4962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3305    0.7477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4872    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3725    1.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4062    2.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7600    1.9146    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    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2924    3.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6152    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6799    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0028    0.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5352    2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4 19  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 19  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (380)
6855

>  <Formula> (380)
C19H18N4O4

>  <MolWeight> (380)
366.37062

>  <Cat> (380)
S0103

>  <Name> (380)
ML327

>  <Synonyms> (380)
N/A

>  <Target> (380)
Apoptosis related,Myc

>  <Form> (380)
Free Base

>  <CAS> (380)
1883510-31-3

>  <URL> (380)
http://www.selleckchem.com/products/ml327.html

$$$$

csChFnd80/03292410462D

 35 37  0  0  0  0  0  0  0  0999 V2000
   23.1491    3.9267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    2.1000    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
    1.2126    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1870    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1491    1.6735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9123    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7621    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3994    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8244    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6120    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9661    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3662    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  1 34  1  0  0  0  0
  2 22  2  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 25  2  0  0  0  0
  6 26  2  0  0  0  0
  7 27  2  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 31  1  0  0  0  0
 10 34  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (381)
6856

>  <Formula> (381)
C25H27N3O6S

>  <MolWeight> (381)
497.56338

>  <Cat> (381)
S0108

>  <Name> (381)
AZ-33

>  <Synonyms> (381)
LDHA Inhibitor 33

>  <Target> (381)
Decarboxylase,LDH

>  <Form> (381)
Free Base

>  <CAS> (381)
1370290-34-8

>  <URL> (381)
http://www.selleckchem.com/products/az-33.html

$$$$

csChFnd80/03292410462D

 32 37  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
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  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
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  8 15  1  0  0  0  0
  8 18  2  0  0  0  0
  9 18  1  0  0  0  0
 12 13  1  0  0  0  0
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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
  4 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30  4  1  0  0  0  0
 26 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (382)
6920

>  <Formula> (382)
C21H25F2N7O2

>  <MolWeight> (382)
445.4657064

>  <Cat> (382)
S8784

>  <Name> (382)
PQR620

>  <Synonyms> (382)
N/A

>  <Target> (382)
mTOR

>  <Form> (382)
Free Base

>  <CAS> (382)
1927857-56-4

>  <URL> (382)
http://www.selleckchem.com/products/pqr620.html

$$$$

csChFnd80/03292410462D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.6644    0.7534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.7497    5.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    4.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    1.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    6.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    7.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    2.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    8.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    7.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   10.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    7.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 15  2  0  0  0  0
  3 20  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 24  1  0  0  0  0
  6 27  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (383)
6977

>  <Formula> (383)
C22H16ClN3O2

>  <MolWeight> (383)
389.83434

>  <Cat> (383)
S0444

>  <Name> (383)
Indibulin

>  <Synonyms> (383)
ZIO 301, D 24851, Zybulin

>  <Target> (383)
Apoptosis related,Microtubule Associated

>  <Form> (383)
free base

>  <CAS> (383)
204205-90-3

>  <URL> (383)
http://www.selleckchem.com/products/Indibulin.html

$$$$

csChFnd80/03292410462D

 41 42  0  0  0  0  0  0  0  0999 V2000
    5.3638    1.4732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7638    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    2.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.3089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.7089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.4089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   11.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4516    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 36  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  8 17  2  0  0  0  0
  8 20  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 25  2  0  0  0  0
 12 23  1  0  0  0  0
 12 31  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  2  0  0  0  0
 27 28  2  0  0  0  0
 28 33  1  0  0  0  0
 28 35  1  0  0  0  0
 29 32  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (384)
6994

>  <Formula> (384)
C25H34N6O8S2

>  <MolWeight> (384)
610.70286

>  <Cat> (384)
S0785

>  <Name> (384)
Apilimod (STA-5326) mesylate

>  <Synonyms> (384)
STA-5326 mesylate

>  <Target> (384)
Interleukins,PIKfyve

>  <Form> (384)
mesylate

>  <CAS> (384)
870087-36-8

>  <URL> (384)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/03292410462D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (385)
7033

>  <Formula> (385)
C17H18O4

>  <MolWeight> (385)
286.32242

>  <Cat> (385)
S3241

>  <Name> (385)
Loureirin A

>  <Synonyms> (385)
N/A

>  <Target> (385)
Akt,PI3K

>  <Form> (385)
free base

>  <CAS> (385)
119425-89-7

>  <URL> (385)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/03292410462D

 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
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    2.4207    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> (386)
7078

>  <Formula> (386)
C16H12O6

>  <MolWeight> (386)
300.26288

>  <Cat> (386)
S3296

>  <Name> (386)
Hispidulin

>  <Synonyms> (386)
Dinatin

>  <Target> (386)
Akt,AMPK,Apoptosis related,Mitochondrial Metabolism,PI3K,Pim

>  <Form> (386)
free base

>  <CAS> (386)
1447-88-7

>  <URL> (386)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/03292410462D

 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
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6951    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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    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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> (387)
7081

>  <Formula> (387)
C19H18NO4+

>  <MolWeight> (387)
324.35052

>  <Cat> (387)
S3299

>  <Name> (387)
Demethyleneberberine

>  <Synonyms> (387)
DMB

>  <Target> (387)
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha

>  <Form> (387)
free base

>  <CAS> (387)
25459-91-0

>  <URL> (387)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/03292410462D

 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
    2.4249    3.5000    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
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (388)
7098

>  <Formula> (388)
C27H33ClN2O4

>  <MolWeight> (388)
485.01492

>  <Cat> (388)
S6760

>  <Name> (388)
LM22B-10

>  <Synonyms> (388)
N/A

>  <Target> (388)
Akt,ERK,Trk receptor

>  <Form> (388)
free base

>  <CAS> (388)
342777-54-2

>  <URL> (388)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/03292410462D

 33 38  0  0  0  0  0  0  0  0999 V2000
    7.7960    0.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3870    6.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3870    8.9070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7041    8.9928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6041   10.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.3218    2.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.1918    5.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8219    5.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2041    7.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6041    7.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3041    8.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3041    6.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    1.2124    7.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4041    7.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (389)
7103

>  <Formula> (389)
C27H24N6

>  <MolWeight> (389)
432.51966

>  <Cat> (389)
S6811

>  <Name> (389)
Miransertib (ARQ-092)

>  <Synonyms> (389)
N/A

>  <Target> (389)
Akt

>  <Form> (389)
free base

>  <CAS> (389)
1313881-70-7

>  <URL> (389)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/03292410462D

 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
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  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
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    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
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 37  2  0  0  0  0
  8 38  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 21  2  0  0  0  0
 10 18  1  0  0  0  0
 10 22  2  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 21  1  0  0  0  0
 13 25  1  0  0  0  0
 14 22  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  1  0  0  0  0
 15 27  2  0  0  0  0
 16 20  1  0  0  0  0
 16 28  2  0  0  0  0
 17 23  2  0  0  0  0
 17 31  1  0  0  0  0
 18 24  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 25 29  2  0  0  0  0
 25 37  1  0  0  0  0
 26 30  2  0  0  0  0
 26 38  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (390)
7109

>  <Formula> (390)
C30H30O8

>  <MolWeight> (390)
518.5544

>  <Cat> (390)
S6852

>  <Name> (390)
Gossypol

>  <Synonyms> (390)
BL 193

>  <Target> (390)
Apoptosis related,Bcl-2,Dehydrogenase

>  <Form> (390)
free base

>  <CAS> (390)
303-45-7

>  <URL> (390)
http://www.selleckchem.com/products/gossypol.html

$$$$

csChFnd80/03292410462D

 46 51  0  0  0  0  0  0  0  0999 V2000
   12.1244    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    5.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   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
    1.2124   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    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
    6.0622    7.0000    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
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  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 11  1  0  0  0  0
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M  END
>  <Mol_ID> (391)
7141

>  <Formula> (391)
C31H25F2N5O7S

>  <MolWeight> (391)
649.6213064

>  <Cat> (391)
S8590

>  <Name> (391)
GSK 2837808A

>  <Synonyms> (391)
N/A

>  <Target> (391)
Dehydrogenase,LDH

>  <Form> (391)
free base

>  <CAS> (391)
1445879-21-9

>  <URL> (391)
http://www.selleckchem.com/products/gsk-2837808A.html

$$$$

csChFnd80/03292410462D

 40 43  0  0  0  0  0  0  0  0999 V2000
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   10.8263    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0636    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1512    6.8124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7095    0.6587    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5071    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    1.3682    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1484    4.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (392)
7149

>  <Formula> (392)
C26H16ClF9N2O2

>  <MolWeight> (392)
594.8560688

>  <Cat> (392)
S8905

>  <Name> (392)
MYCi361

>  <Synonyms> (392)
NUCC-0196361

>  <Target> (392)
Myc

>  <Form> (392)
free base

>  <CAS> (392)
2289690-31-7

>  <URL> (392)
http://www.selleckchem.com/products/myci361.html

$$$$

csChFnd80/03292410462D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (393)
7150

>  <Formula> (393)
C25H16Cl2F6N2O2

>  <MolWeight> (393)
561.3031592

>  <Cat> (393)
S8906

>  <Name> (393)
MYCi975

>  <Synonyms> (393)
NUCC-0200975

>  <Target> (393)
Myc

>  <Form> (393)
free base

>  <CAS> (393)
2289691-01-4

>  <URL> (393)
http://www.selleckchem.com/products/myci975.html

$$$$

csChFnd80/03292410462D

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 24 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (394)
7166

>  <Formula> (394)
C22H13FN2O5

>  <MolWeight> (394)
404.3474232

>  <Cat> (394)
S9602

>  <Name> (394)
Elraglusib

>  <Synonyms> (394)
9-ing-41

>  <Target> (394)
Apoptosis related,GSK-3

>  <Form> (394)
free base

>  <CAS> (394)
1034895-42-5

>  <URL> (394)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/03292410462D

 22 23  0  0  0  0  0  0  0  0999 V2000
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   13.3952    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.0857    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  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
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (395)
7167

>  <Formula> (395)
C13H16F3N5O

>  <MolWeight> (395)
315.2942496

>  <Cat> (395)
S9604

>  <Name> (395)
IM156

>  <Synonyms> (395)
HL156A

>  <Target> (395)
AMPK,Apoptosis related,OXPHOS

>  <Form> (395)
free base

>  <CAS> (395)
1422365-93-2

>  <URL> (395)
http://www.selleckchem.com/products/im156.html

$$$$

csChFnd80/03292410462D

 21 20  0  0  0  0  0  0  0  0999 V2000
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   12.1244   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2 17  1  0  0  0  0
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  4  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 13  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (396)
7170

>  <Formula> (396)
C18H32O3

>  <MolWeight> (396)
296.44488

>  <Cat> (396)
S9611

>  <Name> (396)
ABTL-0812

>  <Synonyms> (396)
¦Á-Hydroxylinoleic acid

>  <Target> (396)
Akt,Autophagy,mTOR,ROS

>  <Form> (396)
free base

>  <CAS> (396)
57818-44-7

>  <URL> (396)
http://www.selleckchem.com/products/abtl-0812.html

$$$$

csChFnd80/03292410462D

 39 44  0  0  0  0  0  0  0  0999 V2000
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    0.5042    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3062    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    1.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6430    1.7897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    3.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430    5.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7305    6.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1554    6.0441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  1  9  2  0  0  0  0
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 10 12  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 13 18  2  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
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 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 32  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
 33 36  1  0  0  0  0
 30 35  1  0  0  0  0
 25 27  1  0  0  0  0
 22 25  1  0  0  0  0
 15 19  1  0  0  0  0
 16 37  1  0  0  0  0
 12 14  1  0  0  0  0
  4 38  1  0  0  0  0
  8 39  1  0  0  0  0
M  END
>  <Mol_ID> (397)
7173

>  <Formula> (397)
C25H29F2N9O3

>  <MolWeight> (397)
541.5530664

>  <Cat> (397)
S9639

>  <Name> (397)
VX-803 (M4344)

>  <Synonyms> (397)
ATR inhibitor 2

>  <Target> (397)
ATM/ATR,Chk

>  <Form> (397)
free base

>  <CAS> (397)
1613191-99-3

>  <URL> (397)
http://www.selleckchem.com/products/vx803-m4344.html

$$$$

csChFnd80/03292410462D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
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  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 17  1  0  0  0  0
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 14 15  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (398)
7314

>  <Formula> (398)
C16H10F2N6O

>  <MolWeight> (398)
340.2870064

>  <Cat> (398)
S0411

>  <Name> (398)
BAM 15

>  <Synonyms> (398)
N/A

>  <Target> (398)
AMPK,Apoptosis related,Mitochondrial Metabolism

>  <Form> (398)
Free Base

>  <CAS> (398)
210302-17-3

>  <URL> (398)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/03292410462D

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    2.4207    1.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    3.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 18  2  0  0  0  0
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  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
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 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
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 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (399)
7336

>  <Formula> (399)
C16H11Cl2N3O2S

>  <MolWeight> (399)
380.24844

>  <Cat> (399)
S0795

>  <Name> (399)
O-304

>  <Synonyms> (399)
O-304X

>  <Target> (399)
AMPK

>  <Form> (399)
Free Base

>  <CAS> (399)
1261289-04-6

>  <URL> (399)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/03292410462D

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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  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  6  0  0  0
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 11 19  1  0  0  0  0
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 16 26  1  6  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
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M  END
>  <Mol_ID> (400)
7358

>  <Formula> (400)
C29H30O13

>  <MolWeight> (400)
586.5407

>  <Cat> (400)
S1273

>  <Name> (400)
Amarogentin

>  <Synonyms> (400)
AG

>  <Target> (400)
Akt,AMPK,Apoptosis related,PI3K,Taste Receptor,TNF-alpha

>  <Form> (400)
Free Base

>  <CAS> (400)
21018-84-8

>  <URL> (400)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/03292410462D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
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  8 13  2  0  0  0  0
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M  END
>  <Mol_ID> (401)
7360

>  <Formula> (401)
C13H8O3

>  <MolWeight> (401)
212.20082

>  <Cat> (401)
S1321

>  <Name> (401)
Urolithin B

>  <Synonyms> (401)
N/A

>  <Target> (401)
Akt,AMPK,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB

>  <Form> (401)
Free Base

>  <CAS> (401)
1139-83-9

>  <URL> (401)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/03292410462D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (402)
7361

>  <Formula> (402)
C16H12O3

>  <MolWeight> (402)
252.26468

>  <Cat> (402)
S1323

>  <Name> (402)
7-Methoxyisoflavone

>  <Synonyms> (402)
MIF

>  <Target> (402)
AMPK

>  <Form> (402)
Free Base

>  <CAS> (402)
1621-56-3

>  <URL> (402)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/03292410462D

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M  END
>  <Mol_ID> (403)
7367

>  <Formula> (403)
C30H36Br2N4O2

>  <MolWeight> (403)
644.44044

>  <Cat> (403)
S2942

>  <Name> (403)
EB-3D

>  <Synonyms> (403)
N/A

>  <Target> (403)
AMPK,Apoptosis related,Choline kinase

>  <Form> (403)
Free Base

>  <CAS> (403)
1839150-63-8

>  <URL> (403)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/03292410462D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (404)
7464

>  <Formula> (404)
C16H30O2

>  <MolWeight> (404)
254.4082

>  <Cat> (404)
S3341

>  <Name> (404)
Palmitoleic acid

>  <Synonyms> (404)
POA, Palmitoleate

>  <Target> (404)
AMPK

>  <Form> (404)
Free Base

>  <CAS> (404)
373-49-9

>  <URL> (404)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/03292410462D

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.2817    7.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4787    8.5923    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0704    9.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4650    9.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2681    8.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6764    7.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6901    6.1767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0567   11.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3082    3.6612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8977    5.0053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931    5.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0357    3.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1577    2.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6317    3.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8984    1.8306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.2220    1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4887    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8415    0.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0857    8.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3779    7.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1502    9.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9415    5.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    9.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    8.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    7.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    6.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0063    8.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    9.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442    6.8379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  6  0  0  0
  9 14  1  0  0  0  0
  7 11  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
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 25 26  1  0  0  0  0
 27 32  1  0  0  0  0
 22 25  1  0  0  0  0
  2 19  1  0  0  0  0
M  END
>  <Mol_ID> (405)
7500

>  <Formula> (405)
C22H27ClN4O5

>  <MolWeight> (405)
462.92658

>  <Cat> (405)
S6921

>  <Name> (405)
Dorzagliatin

>  <Synonyms> (405)
HMS-5552, RO-5305552, Sinogliatin

>  <Target> (405)
Carbohydrate Metabolism

>  <Form> (405)
Free Base

>  <CAS> (405)
1191995-00-2

>  <URL> (405)
https://www.selleckchem.com/products/dorzagliatin.html

$$$$

csChFnd80/03292410462D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   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
    1.2125    0.0000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (406)
7761

>  <Formula> (406)
C4H11N5

>  <MolWeight> (406)
129.16364

>  <Cat> (406)
S5958

>  <Name> (406)
Metformin

>  <Synonyms> (406)
1,1-Dimethylbiguanide

>  <Target> (406)
AMPK,Apoptosis related,JNK,Mitophagy,p38 MAPK

>  <Form> (406)
Free Base

>  <CAS> (406)
657-24-9

>  <URL> (406)
http://www.selleckchem.com/products/metformin.html

$$$$

csChFnd80/03292410462D

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.6962    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8443    2.8110    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1529    1.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5515    4.0359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026    5.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    5.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193    2.0931    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6998    4.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    3.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    2.7972    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0701    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    2.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2710    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0701    0.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    1.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2790    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    0.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2153    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 23  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 20  2  0  0  0  0
 15 23  1  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (407)
7765

>  <Formula> (407)
C13H9ClN2O6S

>  <MolWeight> (407)
356.73836

>  <Cat> (407)
S2968

>  <Name> (407)
CTPI-2

>  <Synonyms> (407)
N/A

>  <Target> (407)
Mitochondrial Metabolism

>  <Form> (407)
Free Base

>  <CAS> (407)
68003-38-3

>  <URL> (407)
http://www.selleckchem.com/products/ctpi-2.html

$$$$

csChFnd80/03292410462D

 60 68  0  0  0  0  0  0  0  0999 V2000
    5.0631   13.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4331   11.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1434   10.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    6.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8013    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6013    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1268    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5839   11.5826    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4629   12.6721    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2850   12.0824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8461   12.4557    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3564   13.4722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3502   11.1496    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6997   13.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0879   10.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9480   11.7265    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4710   10.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7872   10.9019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1945   12.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7047   10.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7442   13.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7116   12.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3012    9.4725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4453   10.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1866   13.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   14.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8998    9.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2141   11.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7981    9.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7610   10.3894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1595   14.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3982   13.0306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0349   11.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   13.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9765    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7640    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7640    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5516    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8013    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7640    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5013    4.3876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9013    4.3876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7640    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9013    6.8125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6013    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5516    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3392    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (408)
7842

>  <Formula> (408)
C44H70O16

>  <MolWeight> (408)
855.017

>  <Cat> (408)
E0022

>  <Name> (408)
Ophiopogonin D

>  <Synonyms> (408)
OJV-VI, Deacetylophiopogonin C

>  <Target> (408)
AMPK,Immunology & Inflammation related,NF-¦ÊB

>  <Form> (408)
Free Base

>  <CAS> (408)
945619-74-9

>  <URL> (408)
http://www.selleckchem.com/products/ophiopogonin-d.html

$$$$

csChFnd80/03292410462D

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M  END
>  <Mol_ID> (409)
7850

>  <Formula> (409)
C90H154N30O17

>  <MolWeight> (409)
1928.37656

>  <Cat> (409)
P1083

>  <Name> (409)
ZIP

>  <Synonyms> (409)
myristoyl-Ser-Ile-Tyr-Arg-Arg-Gly-Ala-Arg-Arg-Trp-Arg-Lys-Leu-OH

>  <Target> (409)
PKM

>  <Form> (409)
Free Base

>  <CAS> (409)
863987-12-6

>  <URL> (409)
http://www.selleckchem.com/peptide/ZIP.html

$$$$

csChFnd80/03292410462D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 17 22  2  0  0  0  0
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 12 17  1  0  0  0  0
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M  END
>  <Mol_ID> (410)
7894

>  <Formula> (410)
C22H23N5O8

>  <MolWeight> (410)
485.44672

>  <Cat> (410)
S4460

>  <Name> (410)
IMM-H007

>  <Synonyms> (410)
N/A

>  <Target> (410)
AMPK,JNK,NF-¦ÊB

>  <Form> (410)
Free Base

>  <CAS> (410)
1221412-23-2

>  <URL> (410)
http://www.selleckchem.com/products/imm-h007.html

$$$$

csChFnd80/03292410462D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 25 30  2  0  0  0  0
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  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (411)
7959

>  <Formula> (411)
C24H24F3NO2

>  <MolWeight> (411)
415.4480696

>  <Cat> (411)
S9860

>  <Name> (411)
BC1618

>  <Synonyms> (411)
N/A

>  <Target> (411)
AMPK,Autophagy

>  <Form> (411)
Free Base

>  <CAS> (411)
2222094-18-8

>  <URL> (411)
http://www.selleckchem.com/products/bc1618.html

$$$$

csChFnd80/03292410462D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (412)
8016

>  <Formula> (412)
C24H20ClN3O4

>  <MolWeight> (412)
449.8863

>  <Cat> (412)
E1031

>  <Name> (412)
MK-8722

>  <Synonyms> (412)
N/A

>  <Target> (412)
AMPK

>  <Form> (412)
Free Base

>  <CAS> (412)
1394371-71-1

>  <URL> (412)
http://www.selleckchem.com/products/mk-8722.html

$$$$

csChFnd80/03292410462D

 35 38  0  0  0  0  0  0  0  0999 V2000
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   11.8737    4.6206    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
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 10 12  1  0  0  0  0
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 16 12  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  2  0  0  0  0
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 28 29  1  0  0  0  0
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 29 34  3  0  0  0  0
 33 35  3  0  0  0  0
M  END
>  <Mol_ID> (413)
8154

>  <Formula> (413)
C27H25FN6O

>  <MolWeight> (413)
468.5254032

>  <Cat> (413)
S9833

>  <Name> (413)
BAY-3827

>  <Target> (413)
AMPK

>  <Form> (413)
free base

>  <CAS> (413)
2377576-35-5

>  <URL> (413)
http://www.selleckchem.com/products/bay-3827.html

$$$$

csChFnd80/03292410462D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
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 13 18  1  0  0  0  0
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  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (414)
8252

>  <Formula> (414)
C17H20N4O2

>  <MolWeight> (414)
312.3663

>  <Cat> (414)
S0888

>  <Name> (414)
Rsva 405

>  <Synonyms> (414)
N/A

>  <Target> (414)
AMPK

>  <Form> (414)
free base

>  <CAS> (414)
140405-36-3

>  <URL> (414)
http://www.selleckchem.com/products/rsva-405.html

$$$$

csChFnd80/03292410462D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
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 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 17  2  0  0  0  0
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 20 21  1  0  0  0  0
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 22 24  1  0  0  0  0
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 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (415)
8284

>  <Formula> (415)
C22H25N5O4

>  <MolWeight> (415)
423.465

>  <Cat> (415)
S3527

>  <Name> (415)
AM2394

>  <Synonyms> (415)
N/A

>  <Target> (415)
Carbohydrate Metabolism

>  <Form> (415)
free base

>  <CAS> (415)
1442684-77-6

>  <URL> (415)
http://www.selleckchem.com/products/am2394.html

$$$$

csChFnd80/03292410462D

 15 14  0  0  0  0  0  0  0  0999 V2000
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A   15
(E)
M  END
>  <Mol_ID> (416)
8392

>  <Formula> (416)
C10H10O4R

>  <MolWeight> (416)
194.184

>  <Cat> (416)
E0653

>  <Name> (416)
Trans-ferulic acid

>  <Target> (416)
AMPK

>  <Form> (416)
free base

>  <CAS> (416)
537-98-4

>  <URL> (416)
http://www.selleckchem.com/products/trans-ferulic-acid.html

$$$$

csChFnd80/03292410462D

 11  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (417)
8462

>  <Formula> (417)
C7H12NaO3

>  <MolWeight> (417)
167.15815

>  <Cat> (417)
E1017

>  <Name> (417)
ERG240

>  <Target> (417)
Transferase

>  <Form> (417)
free base

>  <CAS> (417)
1415683-79-2

>  <URL> (417)
http://www.selleckchem.com/products/erg240.html

$$$$

csChFnd80/03292410462D

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M  END
>  <Mol_ID> (418)
8542

>  <Formula> (418)
C13H13ClN2O2S

>  <MolWeight> (418)
296.77252

>  <Cat> (418)
E2509

>  <Name> (418)
WAY-297848

>  <Target> (418)
Carbohydrate Metabolism

>  <Form> (418)
free base

>  <CAS> (418)
404360-27-6

>  <URL> (418)
http://www.selleckchem.com/products/way-297848.html

$$$$

csChFnd80/03292410462D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
    1.2125    4.2000    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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 15  1  0  0  0  0
  3 16  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (419)
8593

>  <Formula> (419)
C16H16O5

>  <MolWeight> (419)
288.29524

>  <Cat> (419)
E2829

>  <Name> (419)
Alkannin

>  <Target> (419)
PKM

>  <Form> (419)
free base

>  <CAS> (419)
517-88-4

>  <URL> (419)
http://www.selleckchem.com/products/alkannin.html

$$$$

csChFnd80/03292410462D

 30 34  0  0  0  0  0  0  0  0999 V2000
   13.6152    7.1909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9693    2.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768    3.6291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5734    1.9248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3077    2.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6077    5.9297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9929    2.4619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2716    4.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6461    1.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808    0.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883    2.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2652    2.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1171    1.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2340    2.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7765    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0463    3.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7348    4.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5690    3.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5961    2.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8806    4.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0077    5.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    5.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3077    1.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6226    2.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2673    5.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0003    7.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0194    2.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3439    4.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 17  2  0  0  0  0
  5 16  1  0  0  0  0
  5 21  1  0  0  0  0
  6 18  1  0  0  0  0
  6 20  1  0  0  0  0
  6 25  1  0  0  0  0
  7 19  1  0  0  0  0
  7 23  1  0  0  0  0
  7 28  1  0  0  0  0
  8 18  2  0  0  0  0
  8 21  1  0  0  0  0
  9 21  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 24  2  0  0  0  0
 20 22  1  0  0  0  0
 20 26  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (420)
8744

>  <Formula> (420)
C21H24N8O

>  <MolWeight> (420)
404.46826

>  <Cat> (420)
S0177

>  <Name> (420)
XMD-17-51

>  <Synonyms> (420)
XMD17-51

>  <Target> (420)
AMPK

>  <Form> (420)
Free base

>  <CAS> (420)
1628614-50-5

>  <URL> (420)
http://www.selleckchem.com/products/xmd-17-51.html

$$$$

csChFnd80/03292410462D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.1890    4.3990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5583    4.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909    2.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0541    1.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    6.8630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8921    3.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4226    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7015    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    2.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4007    3.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9297    1.2064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6132    2.7222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3221    1.3527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0247    2.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3037    3.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8783    1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4363    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0109    0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2899    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  5 14  2  0  0  0  0
  6 16  1  0  0  0  0
  7 22  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (421)
9069

>  <Formula> (421)
C20H18N6O3

>  <MolWeight> (421)
390.39532

>  <Cat> (421)
E2818

>  <Name> (421)
MARK4 inhibitor 1

>  <Target> (421)
AMPK

>  <Form> (421)
Free base

>  <CAS> (421)
2271081-58-2

>  <URL> (421)
http://www.selleckchem.com/products/mark4-inhibitor-1.html

$$$$
5-(2,4-Dihydroxyphenyl)-2,4-dihydro-4-(4-methylphenyl)-3H-1,2,4-triazol-3-one
csChFnd80/03292410462D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1556    9.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7757    7.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6156    7.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    5.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    8.3502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    6.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    7.8744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1556    7.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9256    8.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9256    5.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4657    8.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2357    7.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864    4.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6927    4.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1686    2.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1382    1.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (422)
9628

>  <Formula> (422)
C15H13N3O3

>  <MolWeight> (422)
283.28202

>  <Cat> (422)
S2949

>  <Name> (422)
KPLH1130

>  <Target> (422)
Carbohydrate Metabolism

>  <Form> (422)
Free base

>  <CAS> (422)
906669-07-6

>  <URL> (422)
https://www.selleckchem.com/products/kplh1130.html

$$$$
Sodium pyruvate
csChFnd80/03292410462D

  7  5  0  0  0  0  0  0  0  0999 V2000
    2.6673    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005    0.0000    0.0000 Na  0  0  0  0  0 15  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
M  END
>  <Mol_ID> (423)
9659

>  <Formula> (423)
C3H4NaO3

>  <MolWeight> (423)
111.05183

>  <Cat> (423)
E2902

>  <Name> (423)
Sodium Pyruvate

>  <Synonyms> (423)
Sodium 2-oxopropanoate

>  <Target> (423)
Others

>  <Form> (423)
Sodium

>  <CAS> (423)
113-24-6

>  <URL> (423)
https://www.selleckchem.com/products/sodium-pyruvate.html

$$$$
3-Thiophenamine, 4-[(4-chlorophenyl)sulfonyl]tetrahydro-N-(2-methylpropyl)-, ...
csChFnd80/03292410462D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.3103    4.0865    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2495    5.4491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7849    5.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    7.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    8.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7851    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024    0.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6451    7.1665    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9766    3.3165    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5696    3.9428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8155    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    2.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3092    1.4646    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6440    4.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9778    4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6440    6.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115    4.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9778    7.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115    6.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 16  2  0  0  0  0
 10 16  2  0  0  0  0
 11 22  1  0  0  0  0
 12  1  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  4  1  6  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (424)
9724

>  <Formula> (424)
C14H20ClNO4S2

>  <MolWeight> (424)
365.8959

>  <Cat> (424)
E1220

>  <Name> (424)
CBR-470-1

>  <Target> (424)
phosphoglycerate kinase

>  <Form> (424)
free base

>  <CAS> (424)
2416095-06-0

>  <URL> (424)
https://www.selleckchem.com/products/cbr-470-1.html

$$$$
Lactic acid
csChFnd80/03292410462D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.6673    1.5400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    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
M  END
>  <Mol_ID> (425)
9759

>  <Formula> (425)
C3H6O3

>  <MolWeight> (425)
90.07794

>  <Cat> (425)
E4473

>  <Name> (425)
Lactate

>  <Synonyms> (425)
Lactic acid

>  <Target> (425)
Others

>  <Form> (425)
Acid

>  <CAS> (425)
50-21-5

>  <URL> (425)
https://www.selleckchem.com/products/lactate.html

$$$$
Phenylarsine oxide
csChFnd80/03292410462D

  8  8  0  0  0  0  0  0  0  0999 V2000
    4.6201    1.3337    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    6.1601    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (426)
9795

>  <Formula> (426)
C6H5AsO

>  <MolWeight> (426)
168.0249

>  <Cat> (426)
E4016

>  <Name> (426)
Phenylarsine oxide

>  <Synonyms> (426)
Oxophenylarsine

>  <Target> (426)
phosphatase

>  <Form> (426)
Free base

>  <CAS> (426)
637-03-6

>  <URL> (426)
https://www.selleckchem.com/products/phenylarsine-oxide.html

$$$$
Sodium lactate
csChFnd80/03292410462D

  7  5  0  0  0  0  0  0  0  0999 V2000
    2.6673    3.0800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005    0.0000    0.0000 Na  0  0  0  0  0 15  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
M  END
>  <Mol_ID> (427)
9800

>  <Formula> (427)
C3H6NaO3

>  <MolWeight> (427)
113.06771

>  <Cat> (427)
E4009

>  <Name> (427)
Sodium DL-lactate solution

>  <Target> (427)
Others

>  <Form> (427)
Salt

>  <CAS> (427)
72-17-3

>  <URL> (427)
https://www.selleckchem.com/products/sodium-dl-lactate-solution.html

$$$$
3-[[5-(1-Azetidinylcarbonyl)-2-pyrazinyl]oxy]-5-[(1S)-2-methoxy-1-methylethox...
csChFnd80/03292410462D

 35 38  0  0  1  0  0  0  0  0999 V2000
    8.4177   10.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0378    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8078    9.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8078    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    4.0011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4177    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7278    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877    9.3359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9679    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7278    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4978    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7278    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077   12.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5677    9.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5677   12.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3478    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1178    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1178   10.6696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579    8.0023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4279    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877   12.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   13.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987   13.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 11 32  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (428)
9939

>  <Formula> (428)
C24H26N6O5

>  <MolWeight> (428)
478.50044

>  <Cat> (428)
E1353

>  <Name> (428)
AZD1656

>  <Target> (428)
Carbohydrate Metabolism

>  <Form> (428)
free base

>  <CAS> (428)
919783-22-5

>  <URL> (428)
https://www.selleckchem.com/products/azd1656.html

$$$$
N-[(2-Amino-6-fluorophenyl)methyl]-N-[2-(tetrahydro-1,1-dioxido-2H-thiopyran-...
csChFnd80/03292410462D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.9572    8.1680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872    6.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1872    9.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4972    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6471    6.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2672    9.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641    7.7351    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187   12.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3143    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8459    1.3706    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    1.6926    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0671    8.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0671   10.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572    5.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3309    4.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4889    5.3396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752    3.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8091    3.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7914   10.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5300    9.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6573   11.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1343    9.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616   12.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8072    9.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5772   10.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5772    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1173   10.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1173    8.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8873    9.5016    0.0000 S   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  2  0  0  0  0
  2 15  1  0  0  0  0
  3 20  1  0  0  0  0
  4  6  1  0  0  0  0
  6 26  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 13 31  2  0  0  0  0
 14 31  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (429)
9940

>  <Formula> (429)
C19H22F4N4O3S

>  <MolWeight> (429)
462.4615928

>  <Cat> (429)
E1328

>  <Name> (429)
TP-1454

>  <Target> (429)
PKM

>  <Form> (429)
free base

>  <CAS> (429)
2490276-04-3

>  <URL> (429)
https://www.selleckchem.com/products/tp-1454.html

$$$$
1,1â²-[[(1-Hydroxy-2-oxo-3-piperidinyl)phosphinylidene]bis(oxymethylene)] bis(..ÿÿÿÿÿÿÿd
csChFnd80/03292410462D

 28 28  0  0  0  0  0  0  0  0999 V2000
    7.7000    4.6200    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    5.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    5.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    5.9536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    5.9536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    7.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    7.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    7.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    8.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    7.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    8.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    5.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    8.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    5.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    7.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    8.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0326    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.0800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3664    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0336    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3664    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0336    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1 23  1  0  0  0  0
  2  5  1  0  0  0  0
  3  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
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 21 24  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (430)
9971

>  <Formula> (430)
C17H30NO9P

>  <MolWeight> (430)
423.395161

>  <Cat> (430)
E1028

>  <Name> (430)
POMHEX

>  <Target> (430)
Others

>  <Form> (430)
Free base

>  <CAS> (430)
2004714-34-3

>  <URL> (430)
https://www.selleckchem.com/products/pomhex.html

$$$$
