azd6244.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (1)
1

>  <Formula> (1)
C17H15BrClFN4O3

>  <MolWeight> (1)
457.6814032

>  <Cat> (1)
S1008

>  <Name> (1)
Selumetinib (AZD6244)

>  <Synonyms> (1)
ARRY-142886

>  <Target> (1)
Apoptosis related,MEK

>  <Form> (1)
free base

>  <CAS> (1)
606143-52-6

>  <URL> (1)
http://selleckchem.com/products/AZD6244.html

$$$$
untitled.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C53H84NO14P

>  <MolWeight> (2)
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>  <Cat> (2)
S1022

>  <Name> (2)
Ridaforolimus (Deforolimus, MK-8669)

>  <Synonyms> (2)
AP23573

>  <Target> (2)
FKBP,mTOR

>  <Form> (2)
free base

>  <CAS> (2)
572924-54-0

>  <URL> (2)
http://selleckchem.com/products/Deforolimus.html

$$$$
untitled.cdx
csChFnd80/11272415532D

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 30 32  1  0  0  0  0
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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C28H22F3N7O

>  <MolWeight> (3)
529.5157896

>  <Cat> (3)
S1033

>  <Name> (3)
Nilotinib (AMN-107)

>  <Synonyms> (3)
AMN-107

>  <Target> (3)
AMPK,Autophagy,Bcr-Abl

>  <Form> (3)
free base

>  <CAS> (3)
641571-10-0

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

$$$$
untitled.cdx
csChFnd80/11272415532D

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 20 21  1  0  0  0  0
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 23 24  1  6  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C16H14F3IN2O4

>  <MolWeight> (4)
482.1930396

>  <Cat> (4)
S1036

>  <Name> (4)
Mirdametinib (PD0325901)

>  <Synonyms> (4)
N/A

>  <Target> (4)
MEK

>  <Form> (4)
free base

>  <CAS> (4)
391210-10-9

>  <URL> (4)
http://selleckchem.com/products/PD-0325901.html

$$$$
1.cdx
csChFnd80/11272415532D

 26 30  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
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  4 15  1  0  0  0  0
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 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
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 26  7  1  0  0  0  0
M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C19H16N4O3

>  <MolWeight> (5)
348.35534

>  <Cat> (5)
S1038

>  <Name> (5)
PI-103

>  <Synonyms> (5)
N/A

>  <Target> (5)
Apoptosis related,Autophagy,DNA-PK,mTOR,PI3K

>  <Form> (5)
free base

>  <CAS> (5)
371935-74-9

>  <URL> (5)
http://selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/11272415532D

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C51H79NO13

>  <MolWeight> (6)
914.17186

>  <Cat> (6)
S1039

>  <Name> (6)
Rapamycin (AY-22989)

>  <Synonyms> (6)
Rapamune, Sirolimus, NSC-2260804,AY-22989

>  <Target> (6)
Antineoplastic and Immunosuppressive Antibiotics,Autophagy,mTOR

>  <Form> (6)
free base

>  <CAS> (6)
53123-88-9

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

$$$$

csChFnd80/11272415532D

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M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C28H24ClF3N4O6S

>  <MolWeight> (7)
637.0265696

>  <Cat> (7)
S1040

>  <Name> (7)
Sorafenib (BAY 43-9006) tosylate

>  <Synonyms> (7)
BAY 43-9006 tosylate,NSC-724772 tosylate

>  <Target> (7)
Apoptosis related,Autophagy,c-Kit,Ferroptosis,FGFR,FLT3,PDGFR,Raf,VEGFR

>  <Form> (7)
Tosylate

>  <CAS> (7)
475207-59-1

>  <URL> (7)
http://selleckchem.com/products/Sorafenib-Tosylate.html

$$$$

csChFnd80/11272415532D

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M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C25H23Cl2N5O

>  <MolWeight> (8)
480.38902

>  <Cat> (8)
S1078

>  <Name> (8)
MK-2206 2HCl

>  <Synonyms> (8)
N/A

>  <Target> (8)
Akt,Apoptosis related,Autophagy

>  <Form> (8)
Dihydrochloride

>  <CAS> (8)
1032350-13-2

>  <URL> (8)
http://selleckchem.com/products/MK-2206.html

$$$$
GDC-0879.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (9)
9

>  <Formula> (9)
C19H18N4O2

>  <MolWeight> (9)
334.37182

>  <Cat> (9)
S1104

>  <Name> (9)
GDC-0879

>  <Synonyms> (9)
AR-00341677

>  <Target> (9)
Raf

>  <Form> (9)
free base

>  <CAS> (9)
905281-76-7

>  <URL> (9)
http://selleckchem.com/products/GDC-0879.html

$$$$
U0126-EtOH.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C20H22N6OS2

>  <MolWeight> (10)
426.55828

>  <Cat> (10)
S1102

>  <Name> (10)
U0126-EtOH

>  <Synonyms> (10)
N/A

>  <Target> (10)
Antiviral,Autophagy,MEK,Mitophagy

>  <Form> (10)
Ethanolate

>  <CAS> (10)
1173097-76-1

>  <URL> (10)
http://selleckchem.com/products/U0126.html

$$$$
untitled.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C28H39N7O3

>  <MolWeight> (11)
521.65436

>  <Cat> (11)
S1109

>  <Name> (11)
BI 2536

>  <Synonyms> (11)
N/A

>  <Target> (11)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Myc,PLK

>  <Form> (11)
free base

>  <CAS> (11)
755038-02-9

>  <URL> (11)
http://selleckchem.com/products/BI-2536.html

$$$$
Everolimus.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C53H83NO14

>  <MolWeight> (12)
958.22442

>  <Cat> (12)
S1120

>  <Name> (12)
Everolimus (RAD001)

>  <Synonyms> (12)
RAD001,SDZ-RAD, Afinitor

>  <Target> (12)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (12)
free base

>  <CAS> (12)
159351-69-6

>  <URL> (12)
http://selleckchem.com/products/Everolimus(RAD001).html

$$$$
SRT1720.cdx
csChFnd80/11272415532D

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SRT1720 HCl

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N/A

>  <Target> (13)
Autophagy,Sirtuin

>  <Form> (13)
Hydrochloride

>  <CAS> (13)
1001645-58-4

>  <URL> (13)
http://selleckchem.com/products/SRT1720.html

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>  <Formula> (14)
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PLX-4720

>  <Synonyms> (14)
N/A

>  <Target> (14)
Raf

>  <Form> (14)
free base

>  <CAS> (14)
918505-84-7

>  <URL> (14)
http://selleckchem.com/products/PLX-4720.html

$$$$
untitled.cdx
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>  <Mol_ID> (15)
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>  <Formula> (15)
C21H20N4

>  <MolWeight> (15)
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>  <Cat> (15)
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>  <Name> (15)
Serdemetan (JNJ-26854165)

>  <Synonyms> (15)
N/A

>  <Target> (15)
E3 Ligase ,p53

>  <Form> (15)
free base

>  <CAS> (15)
881202-45-5

>  <URL> (15)
http://selleckchem.com/products/JNJ-26854165.html

$$$$

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>  <Mol_ID> (16)
16

>  <Formula> (16)
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>  <MolWeight> (16)
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>  <Cat> (16)
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>  <Name> (16)
PD98059

>  <Synonyms> (16)
N/A

>  <Target> (16)
AhR,MEK

>  <Form> (16)
free base

>  <CAS> (16)
167869-21-8

>  <URL> (16)
http://selleckchem.com/products/PD-98059.html

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17

>  <Formula> (17)
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>  <Cat> (17)
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>  <Name> (17)
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>  <Synonyms> (17)
Fluoro-Sorafenib, Resihance, Stivarga,BAY 73-4506

>  <Target> (17)
Autophagy,c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (17)
free base

>  <CAS> (17)
755037-03-7

>  <URL> (17)
http://selleckchem.com/products/BAY-73-4506.html

$$$$
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    6.0622    6.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   10.9077   10.7421    0.0000 C   0  0  1  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
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  3  4  2  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> (18)
18

>  <Formula> (18)
C27H30ClNO11

>  <MolWeight> (18)
579.9802

>  <Cat> (18)
S1208

>  <Name> (18)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (18)
NSC 123127, DOX, Doxorubicin hydrochloride, Hydroxydaunorubicin HCl,Adriamycin HCl

>  <Target> (18)
ADC Cytotoxin,AMPK,Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,HIV,Mitophagy,Topoisomerase

>  <Form> (18)
Hydrochloride

>  <CAS> (18)
25316-40-9

>  <URL> (18)
http://selleckchem.com/products/Adriamycin.html

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/11272415532D

 33 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0791    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    4.2098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2119    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4243    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621    6.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7870    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4243    2.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6367    4.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5746    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 27 30  2  0  0  0  0
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 29 32  2  0  0  0  0
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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C20H22N8O5

>  <MolWeight> (19)
454.43928

>  <Cat> (19)
S1210

>  <Name> (19)
Methotrexate (CL-14377)

>  <Synonyms> (19)
NCI-C04671, Amethopterin, CL14377, WR19039, abitrexate

>  <Target> (19)
ADC Cytotoxin,DHFR

>  <Form> (19)
free base

>  <CAS> (19)
59-05-2

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

$$$$
KU-0063794.cdx
csChFnd80/11272415532D

 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
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    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
    9.6911    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2082    4.1927    0.0000 C   0  0  2  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
    6.0538    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3200    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 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
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 29 30  2  0  0  0  0
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 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C25H31N5O4

>  <MolWeight> (20)
465.54474

>  <Cat> (20)
S1226

>  <Name> (20)
KU-0063794

>  <Synonyms> (20)
N/A

>  <Target> (20)
mTOR

>  <Form> (20)
free base

>  <CAS> (20)
938440-64-3

>  <URL> (20)
http://selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/11272415532D

 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
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    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
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    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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> (21)
21

>  <Formula> (21)
C19H26O3

>  <MolWeight> (21)
302.40794

>  <Cat> (21)
S1233

>  <Name> (21)
2-Methoxyestradiol (2-MeOE2)

>  <Synonyms> (21)
NSC 659853, 2-ME2

>  <Target> (21)
Apoptosis related,Autophagy,HIF,Microtubule Associated

>  <Form> (21)
free base

>  <CAS> (21)
362-07-2

>  <URL> (21)
http://selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
WYE-354.cdx
csChFnd80/11272415532D

 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
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>  <Mol_ID> (22)
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C24H29N7O5

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WYE-354

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N/A

>  <Target> (22)
mTOR

>  <Form> (22)
free base

>  <CAS> (22)
1062169-56-5

>  <URL> (22)
http://selleckchem.com/products/WYE-354.html

$$$$
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>  <Mol_ID> (23)
23

>  <Formula> (23)
C23H18ClF2N3O3S

>  <MolWeight> (23)
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>  <Cat> (23)
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>  <Name> (23)
Vemurafenib (PLX4032)

>  <Synonyms> (23)
RG7204, RO5185426,PLX4032

>  <Target> (23)
Autophagy,Raf

>  <Form> (23)
free base

>  <CAS> (23)
918504-65-1

>  <URL> (23)
http://selleckchem.com/products/PLX-4032.html

$$$$
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>  <Mol_ID> (24)
24

>  <Formula> (24)
C25H34O6

>  <MolWeight> (24)
430.53386

>  <Cat> (24)
S1286

>  <Name> (24)
Budesonide

>  <Synonyms> (24)
Labazenit

>  <Target> (24)
Glucocorticoid Receptor

>  <Form> (24)
free base

>  <CAS> (24)
51333-22-3

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

$$$$
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 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C25H31NO6

>  <MolWeight> (25)
441.51674

>  <Cat> (25)
S1888

>  <Name> (25)
Deflazacort

>  <Synonyms> (25)
MDL 458

>  <Target> (25)
Glucocorticoid Receptor

>  <Form> (25)
free base

>  <CAS> (25)
14484-47-0

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

$$$$
Nicotinamide.cdx
csChFnd80/11272415532D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C6H6N2O

>  <MolWeight> (26)
122.12464

>  <Cat> (26)
S1899

>  <Name> (26)
Nicotinamide (NSC 13128)

>  <Synonyms> (26)
Niacinamide, Vitamin PP, Nicotinic acid amide, Vitamin B3, NSC 27452,NSC 13128

>  <Target> (26)
Sirtuin

>  <Form> (26)
free base

>  <CAS> (26)
98-92-0

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

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/11272415532D

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    3.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2062    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7467    7.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835    8.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    7.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9151    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9555    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2870    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5377    3.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3238    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404    5.8305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1487    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569    5.8305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5651    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816    5.1330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.7733    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
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 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 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
 22 27  1  1  0  0  0
 24 28  1  1  0  0  0
 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C24H25FNNaO4

>  <MolWeight> (27)
433.4477732

>  <Cat> (27)
S1909

>  <Name> (27)
Fluvastatin (XU-62-320) Sodium

>  <Synonyms> (27)
Vastin,XU-62-320

>  <Target> (27)
HMG-CoA Reductase

>  <Form> (27)
Sodium

>  <CAS> (27)
93957-55-2

>  <URL> (27)
http://selleckchem.com/products/Fluvastatin-Sodium(Lescol).html

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/11272415532D

 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  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    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    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
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C21H27FO6

>  <MolWeight> (28)
394.4338832

>  <Cat> (28)
S1933

>  <Name> (28)
Triamcinolone

>  <Synonyms> (28)
N/A

>  <Target> (28)
Glucocorticoid Receptor

>  <Form> (28)
free base

>  <CAS> (28)
124-94-7

>  <URL> (28)
http://selleckchem.com/products/Triamcinolone(Aristocort).html

$$$$
resveratrol.cdx
csChFnd80/11272415532D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3376    4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7339    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0963    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4486    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4385    2.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0762    3.6898    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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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  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
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 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C14H12O3

>  <MolWeight> (29)
228.24328

>  <Cat> (29)
S1396

>  <Name> (29)
Resveratrol (SRT501)

>  <Synonyms> (29)
trans-Resveratrol,SRT501

>  <Target> (29)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (29)
free base

>  <CAS> (29)
501-36-0

>  <URL> (29)
http://selleckchem.com/products/Resveratrol.html

$$$$
FG-4592.cdx
csChFnd80/11272415532D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8455    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C19H16N2O5

>  <MolWeight> (30)
352.34074

>  <Cat> (30)
S1007

>  <Name> (30)
Roxadustat (FG-4592)

>  <Synonyms> (30)
ASP1517

>  <Target> (30)
Ferroptosis,HIF

>  <Form> (30)
free base

>  <CAS> (30)
808118-40-3

>  <URL> (30)
http://selleckchem.com/products/fg-4592.html

$$$$
AS-703026.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C15H15FIN3O3

>  <MolWeight> (31)
431.2007732

>  <Cat> (31)
S1475

>  <Name> (31)
Pimasertib (AS-703026)

>  <Synonyms> (31)
MSC1936369B, SAR 245509

>  <Target> (31)
MEK

>  <Form> (31)
free base

>  <CAS> (31)
1236699-92-5

>  <URL> (31)
http://selleckchem.com/products/AS703026.html

$$$$
CELESTONE (betamethasone).cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C22H29FO5

>  <MolWeight> (32)
392.4610632

>  <Cat> (32)
S1500

>  <Name> (32)
Betamethasone

>  <Synonyms> (32)
NSC-39470, SCH-4831

>  <Target> (32)
Glucocorticoid Receptor

>  <Form> (32)
Free Base

>  <CAS> (32)
378-44-9

>  <URL> (32)
http://selleckchem.com/products/Betamethasone-(Celestone).html

$$$$
P529.cdx
csChFnd80/11272415532D

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

>  <Formula> (33)
C24H22O6

>  <MolWeight> (33)
406.42788

>  <Cat> (33)
S2238

>  <Name> (33)
Palomid 529 (P529)

>  <Synonyms> (33)
SG 00529

>  <Target> (33)
mTOR

>  <Form> (33)
free base

>  <CAS> (33)
914913-88-5

>  <URL> (33)
http://selleckchem.com/products/Palomid-529-P529.html

$$$$
XL-765.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (34)
34

>  <Formula> (34)
C31H29N5O6S

>  <MolWeight> (34)
599.65686

>  <Cat> (34)
S1523

>  <Name> (34)
Voxtalisib (XL765) Analogue

>  <Synonyms> (34)
SAR245409

>  <Target> (34)
mTOR,PI3K

>  <Form> (34)
free base

>  <CAS> (34)
1349796-36-6

>  <URL> (34)
http://selleckchem.com/products/XL765(SAR245409).html

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/11272415532D

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>  <Mol_ID> (35)
35

>  <Formula> (35)
C21H25ClO6

>  <MolWeight> (35)
408.8726

>  <Cat> (35)
S1548

>  <Name> (35)
Dapagliflozin (BMS-512148)

>  <Synonyms> (35)
BMS-512148

>  <Target> (35)
SGLT

>  <Form> (35)
free base

>  <CAS> (35)
461432-26-8

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

$$$$
AZD 8055.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (36)
36

>  <Formula> (36)
C25H31N5O4

>  <MolWeight> (36)
465.54474

>  <Cat> (36)
S1555

>  <Name> (36)
AZD8055

>  <Synonyms> (36)
N/A

>  <Target> (36)
Apoptosis related,Autophagy,mTOR

>  <Form> (36)
free base

>  <CAS> (36)
1009298-09-2

>  <URL> (36)
http://selleckchem.com/products/AZD8055.html

$$$$
EX527.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (37)
37

>  <Formula> (37)
C13H13ClN2O

>  <MolWeight> (37)
248.70812

>  <Cat> (37)
S1541

>  <Name> (37)
Selisistat (EX 527)

>  <Synonyms> (37)
SEN0014196

>  <Target> (37)
Sirtuin

>  <Form> (37)
free base

>  <CAS> (37)
49843-98-3

>  <URL> (37)
http://selleckchem.com/products/EX-527.html

$$$$
PHT-427.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (38)
38

>  <Formula> (38)
C20H31N3O2S2

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S1556

>  <Name> (38)
PHT-427

>  <Synonyms> (38)
CS-0223

>  <Target> (38)
Akt,PDPK1

>  <Form> (38)
free base

>  <CAS> (38)
1191951-57-1

>  <URL> (38)
http://selleckchem.com/products/PHT-427.html

$$$$
AT7867.cdx
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  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
 16 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 23  2  0  0  0  0
 23 19  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C20H20ClN3

>  <MolWeight> (39)
337.8459

>  <Cat> (39)
S1558

>  <Name> (39)
AT7867

>  <Synonyms> (39)
N/A

>  <Target> (39)
Akt,S6 Kinase

>  <Form> (39)
free base

>  <CAS> (39)
857531-00-1

>  <URL> (39)
http://selleckchem.com/products/AT7867.html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/11272415532D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3036    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    8.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3532    8.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    7.4376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8872    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    5.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    7.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    7.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    7.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    6.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    5.4681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    8.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075   10.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252   10.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    4.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    2.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    6.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    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
  3  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  4  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
 13 14  1  0  0  0  0
  2 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
 16 19  2  0  0  0  0
 18 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 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 23 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
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C31H37N5O3

>  <MolWeight> (40)
527.65718

>  <Cat> (40)
S1574

>  <Name> (40)
Doramapimod (BIRB 796)

>  <Synonyms> (40)
N/A

>  <Target> (40)
JNK,p38 MAPK,Raf,Src

>  <Form> (40)
free base

>  <CAS> (40)
285983-48-4

>  <URL> (40)
http://selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/11272415532D

 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> (41)
41

>  <Formula> (41)
C8H5F3N2OS

>  <MolWeight> (41)
234.1983096

>  <Cat> (41)
S1614

>  <Name> (41)
Riluzole (PK 26124)

>  <Synonyms> (41)
RP-54274, PK 26124

>  <Target> (41)
GluR,Sodium Channel

>  <Form> (41)
free base

>  <CAS> (41)
1744-22-5

>  <URL> (41)
http://selleckchem.com/products/Riluzole(Rilutek).html

$$$$
FERNISONE (prednisone).cdx
csChFnd80/11272415532D

 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> (42)
42

>  <Formula> (42)
C21H26O5

>  <MolWeight> (42)
358.42814

>  <Cat> (42)
S1622

>  <Name> (42)
Prednisone (NSC-10023)

>  <Synonyms> (42)
Adasone,NSC-10023

>  <Target> (42)
Glucocorticoid Receptor,Immunology & Inflammation related

>  <Form> (42)
free base

>  <CAS> (42)
53-03-2

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

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/11272415532D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5167    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3852    5.9938    0.0000 O   0  5  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
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C12H9N3O5S

>  <MolWeight> (43)
307.28196

>  <Cat> (43)
S1627

>  <Name> (43)
Nitazoxanide (NSC 697855)

>  <Synonyms> (43)
NTZ, NSC 697855

>  <Target> (43)
Autophagy,Influenza Virus,mTOR,Serotonin Transporter

>  <Form> (43)
free base

>  <CAS> (43)
55981-09-4

>  <URL> (43)
http://selleckchem.com/products/Nitazoxanide(Alinia).html

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/11272415532D

 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
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
 17 28  1  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C24H31FO6

>  <MolWeight> (44)
434.4977432

>  <Cat> (44)
S1628

>  <Name> (44)
Triamcinolone Acetonide

>  <Synonyms> (44)
N/A

>  <Target> (44)
Glucocorticoid Receptor

>  <Form> (44)
free base

>  <CAS> (44)
76-25-5

>  <URL> (44)
http://selleckchem.com/products/Triamcinolone-Acetonide.html

$$$$
Artemisinin.cdx
csChFnd80/11272415532D

 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> (45)
45

>  <Formula> (45)
C15H22O5

>  <MolWeight> (45)
282.33218

>  <Cat> (45)
S1282

>  <Name> (45)
Artemisinin

>  <Synonyms> (45)
Qinghaosu,Artemisinine,Coartem,NSC 369397

>  <Target> (45)
ADC Cytotoxin,Anti-infection

>  <Form> (45)
free base

>  <CAS> (45)
63968-64-9

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

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/11272415532D

 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> (46)
46

>  <Formula> (46)
C24H31ClO7

>  <MolWeight> (46)
466.95174

>  <Cat> (46)
S1669

>  <Name> (46)
Loteprednol etabonate

>  <Synonyms> (46)
N/A

>  <Target> (46)
Glucocorticoid Receptor

>  <Form> (46)
free base

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

>  <URL> (46)
http://selleckchem.com/products/Loteprednol-etabonate.html

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/11272415532D

 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> (47)
47

>  <Formula> (47)
C10H20N2S4

>  <MolWeight> (47)
296.5392

>  <Cat> (47)
S1680

>  <Name> (47)
Disulfiram (NSC 190940)

>  <Synonyms> (47)
NSC 190940, Tetraethylthiuram disulfide, TETD

>  <Target> (47)
Apoptosis related,COVID-19,Dehydrogenase,Pyroptosis

>  <Form> (47)
free base

>  <CAS> (47)
97-77-8

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

$$$$
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx
csChFnd80/11272415532D

 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> (48)
48

>  <Formula> (48)
C28H37FO7

>  <MolWeight> (48)
504.5875832

>  <Cat> (48)
S1688

>  <Name> (48)
Betamethasone Dipropionate

>  <Synonyms> (48)
SCH 11460

>  <Target> (48)
Glucocorticoid Receptor

>  <Form> (48)
Free Base

>  <CAS> (48)
5593-20-4

>  <URL> (48)
http://selleckchem.com/products/Betamethasone-Dipropionate(Diprolene).html

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/11272415532D

 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> (49)
49

>  <Formula> (49)
C22H28O5

>  <MolWeight> (49)
372.45472

>  <Cat> (49)
S1689

>  <Name> (49)
Meprednisone

>  <Synonyms> (49)
NSC 527579, SCH 4358

>  <Target> (49)
Glucocorticoid Receptor

>  <Form> (49)
free base

>  <CAS> (49)
1247-42-3

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

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/11272415532D

 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> (50)
50

>  <Formula> (50)
C27H37FO6

>  <MolWeight> (50)
476.5774832

>  <Cat> (50)
S1690

>  <Name> (50)
Betamethasone Valerate

>  <Synonyms> (50)
N/A

>  <Target> (50)
Glucocorticoid Receptor

>  <Form> (50)
free base

>  <CAS> (50)
2152-44-5

>  <URL> (50)
http://selleckchem.com/products/Betamethasone-valerate(Betnovate).html

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/11272415532D

 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> (51)
51

>  <Formula> (51)
C21H30O5

>  <MolWeight> (51)
362.4599

>  <Cat> (51)
S1696

>  <Name> (51)
Hydrocortisone (NSC 10483)

>  <Synonyms> (51)
Cortisol

>  <Target> (51)
Glucocorticoid Receptor

>  <Form> (51)
free base

>  <CAS> (51)
50-23-7

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

$$$$
DESOWEN (desonide).cdx
csChFnd80/11272415532D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    5.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C24H32O6

>  <MolWeight> (52)
416.50728

>  <Cat> (52)
S1701

>  <Name> (52)
Desonide

>  <Synonyms> (52)
N/A

>  <Target> (52)
Glucocorticoid Receptor

>  <Form> (52)
free base

>  <CAS> (52)
638-94-8

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

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/11272415532D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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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
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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  7 27  1  6  0  0  0
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 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C22H30O5

>  <MolWeight> (53)
374.4706

>  <Cat> (53)
S1733

>  <Name> (53)
Methylprednisolone (NSC-19987)

>  <Synonyms> (53)
NSC-19987,U 7532

>  <Target> (53)
ACE,Apoptosis related,Autophagy,Glucocorticoid Receptor,Immunology & Inflammation related,Interleukins

>  <Form> (53)
free base

>  <CAS> (53)
83-43-2

>  <URL> (53)
http://selleckchem.com/products/Methylprednisolone.html

$$$$
Pitavastatin calcium.cdx
csChFnd80/11272415532D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    8.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   13.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   16.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   17.8076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   12.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   12.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   11.1190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   10.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5724   11.9483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0935   13.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934   14.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5146   15.6518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721   14.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9511   11.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   -2.0719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   -2.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151   -3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   -2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0421    2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5146    4.1721    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721    2.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 11 15  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 22 23  2  3  0  0  0
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 29 30  1  0  0  0  0
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 40 43  1  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C50H46CaF2N2O8

>  <MolWeight> (54)
880.9836464

>  <Cat> (54)
S1759

>  <Name> (54)
Pitavastatin (NK-104) calcium

>  <Synonyms> (54)
NK-104, P-872441, itavastatin, nisvastatin

>  <Target> (54)
Apoptosis related,Autophagy,COVID-19,HMG-CoA Reductase,Mitophagy

>  <Form> (54)
Calcium salt

>  <CAS> (54)
147526-32-7

>  <URL> (54)
http://selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/11272415532D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    3.5000    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  6  0  0  0
  6 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
  9 20  1  1  0  0  0
 10 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  1  1  0  0  0
 23 31  1  1  0  0  0
  5 32  1  1  0  0  0
M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C25H38O5

>  <MolWeight> (55)
418.56622

>  <Cat> (55)
S1792

>  <Name> (55)
Simvastatin (MK 733)

>  <Synonyms> (55)
MK-0733, MK 733

>  <Target> (55)
Apoptosis related,Autophagy,Ferroptosis,HMG-CoA Reductase,Mitophagy

>  <Form> (55)
free base

>  <CAS> (55)
79902-63-9

>  <URL> (55)
http://selleckchem.com/products/Simvastatin(Zocor).html

$$$$
CTEP.cdx
csChFnd80/11272415532D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.2656    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9656    3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657    3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0657    4.2385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657    5.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9656    5.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0632    6.6591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8705    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4754    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0802    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2573    5.3711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9258    4.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9258    3.5385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6885    1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7972    5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7972    2.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5182    3.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856    2.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5319    1.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109    0.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9435    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    0.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287    0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9829    2.2075    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2574    1.6401    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
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  3  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 14 15  1  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
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (56)
56

>  <Formula> (56)
C19H13ClF3N3O

>  <MolWeight> (56)
391.7742296

>  <Cat> (56)
S2861

>  <Name> (56)
CTEP (RO4956371)

>  <Synonyms> (56)
N/A

>  <Target> (56)
GluR

>  <Form> (56)
free base

>  <CAS> (56)
871362-31-1

>  <URL> (56)
http://selleckchem.com/products/ctep.html

$$$$
clemastine fumarate.cdx
csChFnd80/11272415532D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    4.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0386    2.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    5.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547    6.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    8.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    5.3922    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  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 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
 25 26  1  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  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C25H30ClNO5

>  <MolWeight> (57)
459.9624

>  <Cat> (57)
S1847

>  <Name> (57)
Clemastine (HS-592) fumarate

>  <Synonyms> (57)
HS-592 fumarate, Meclastine fumarate

>  <Target> (57)
Autophagy,Histamine Receptor,mTOR

>  <Form> (57)
Fumarate

>  <CAS> (57)
14976-57-9

>  <URL> (57)
http://selleckchem.com/products/Clemastine-Fumarate.html

$$$$
Methylthiouracil.cdx
csChFnd80/11272415532D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  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
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C5H6N2OS

>  <MolWeight> (58)
142.17894

>  <Cat> (58)
S3138

>  <Name> (58)
Methylthiouracil

>  <Synonyms> (58)
NSC-193526, NSC-9378,MTU

>  <Target> (58)
ERK,Interleukins,NF-¦ÊB,TNF-alpha

>  <Form> (58)
free base

>  <CAS> (58)
56-04-2

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

$$$$
AZ628.cdx
csChFnd80/11272415532D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.6220    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7138    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1138    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4633    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6716    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8840    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0964    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0964    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8840    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6716    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8840    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3047    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5171    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5171    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7295    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9420    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9420    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7295    9.0903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7295    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1502    6.2927    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
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  1  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
  8 11  3  0  0  0  0
  5 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  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
 21 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 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 26  1  0  0  0  0
 29 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C27H25N5O2

>  <MolWeight> (59)
451.5197

>  <Cat> (59)
S2746

>  <Name> (59)
AZ 628

>  <Synonyms> (59)
N/A

>  <Target> (59)
Apoptosis related,Raf

>  <Form> (59)
free base

>  <CAS> (59)
878739-06-1

>  <URL> (59)
http://selleckchem.com/products/az628.html

$$$$

csChFnd80/11272415532D

 47 51  0  0  0  0  0  0  0  0999 V2000
    1.2389    8.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0081    6.0472    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9070    4.2831    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710    5.1819    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1094    9.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3219   10.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6224   11.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312   10.3584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349   12.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099   12.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389   10.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349   13.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472   11.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Name> (60)
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>  <Synonyms> (60)
N/A

>  <Target> (60)
mTOR,PI3K

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maleate

>  <CAS> (60)
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>  <URL> (60)
http://selleckchem.com/products/nvp-bgt226.html

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>  <Mol_ID> (61)
61

>  <Formula> (61)
C24H25FO5S

>  <MolWeight> (61)
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>  <Cat> (61)
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>  <Name> (61)
Canagliflozin (JNJ 28431754)

>  <Synonyms> (61)
TA 7284

>  <Target> (61)
SGLT

>  <Form> (61)
free base

>  <CAS> (61)
842133-18-0

>  <URL> (61)
http://selleckchem.com/products/canagliflozin.html

$$$$
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>  <Formula> (62)
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>  <Name> (62)
RITA (NSC 652287)

>  <Synonyms> (62)
N/A

>  <Target> (62)
E3 Ligase ,p53

>  <Form> (62)
free base

>  <CAS> (62)
213261-59-7

>  <URL> (62)
http://selleckchem.com/products/rita-nsc-652287.html

$$$$
AZD2014.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (63)
63

>  <Formula> (63)
C25H30N6O3

>  <MolWeight> (63)
462.5441

>  <Cat> (63)
S2783

>  <Name> (63)
Vistusertib (AZD2014)

>  <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)
64

>  <Formula> (64)
C17H17F2NO2

>  <MolWeight> (64)
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>  <Synonyms> (64)
N/A

>  <Target> (64)
GluR

>  <Form> (64)
free base

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

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

$$$$
Lonafarnib.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (65)
65

>  <Formula> (65)
C27H31Br2ClN4O2

>  <MolWeight> (65)
638.82164

>  <Cat> (65)
S2797

>  <Name> (65)
Lonafarnib (SCH66336)

>  <Synonyms> (65)
SCH66336

>  <Target> (65)
Ras,Transferase

>  <Form> (65)
free base

>  <CAS> (65)
193275-84-2

>  <URL> (65)
http://selleckchem.com/products/lonafarnib-sch66336.html

$$$$
Sirtinol.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (66)
66

>  <Formula> (66)
C26H22N2O2

>  <MolWeight> (66)
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>  <Cat> (66)
S2804

>  <Name> (66)
Sirtinol

>  <Synonyms> (66)
N/A

>  <Target> (66)
Sirtuin

>  <Form> (66)
free base

>  <CAS> (66)
410536-97-9

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

$$$$
GDC-0068.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (67)
67

>  <Formula> (67)
C24H32ClN5O2

>  <MolWeight> (67)
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>  <Cat> (67)
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>  <Name> (67)
Ipatasertib (GDC-0068)

>  <Synonyms> (67)
RG7440

>  <Target> (67)
Akt

>  <Form> (67)
free base

>  <CAS> (67)
1001264-89-6

>  <URL> (67)
http://selleckchem.com/products/gdc-0068.html

$$$$
GSK2118436.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C23H20F3N5O2S2

>  <MolWeight> (68)
519.5624096

>  <Cat> (68)
S2807

>  <Name> (68)
Dabrafenib (GSK2118436)

>  <Synonyms> (68)
GSK2118436A

>  <Target> (68)
Raf

>  <Form> (68)
free base

>  <CAS> (68)
1195765-45-7

>  <URL> (68)
http://selleckchem.com/products/dabrafenib-gsk2118436.html

$$$$
Torin 2.cdx
csChFnd80/11272415532D

 32 36  0  0  0  0  0  0  0  0999 V2000
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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> (69)
69

>  <Formula> (69)
C24H15F3N4O

>  <MolWeight> (69)
432.3973096

>  <Cat> (69)
S2817

>  <Name> (69)
Torin 2

>  <Synonyms> (69)
N/A

>  <Target> (69)
Apoptosis related,ATM/ATR,Autophagy,DNA-PK,mTOR

>  <Form> (69)
free base

>  <CAS> (69)
1223001-51-1

>  <URL> (69)
http://selleckchem.com/products/torin-2.html

$$$$
Pravastatin sodium.cdx
csChFnd80/11272415532D

 32 32  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 10 14  1  1  0  0  0
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 27 28  2  0  0  0  0
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M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C23H35NaO7

>  <MolWeight> (70)
446.50957

>  <Cat> (70)
S3036

>  <Name> (70)
Pravastatin sodium

>  <Synonyms> (70)
CS-514 Sodium

>  <Target> (70)
HMG-CoA Reductase

>  <Form> (70)
sodium

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

>  <URL> (70)
http://selleckchem.com/products/pravastatin-pravachol.html

$$$$
Quercetin.cdx
csChFnd80/11272415532D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C15H10O7

>  <MolWeight> (71)
302.2357

>  <Cat> (71)
S2391

>  <Name> (71)
Quercetin (NSC 9221)

>  <Synonyms> (71)
Sophoretin, C.I. 75720

>  <Target> (71)
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src

>  <Form> (71)
Free Base

>  <CAS> (71)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/11272415532D

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    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (72)
72

>  <Formula> (72)
C14H20O7

>  <MolWeight> (72)
300.3044

>  <Cat> (72)
S2396

>  <Name> (72)
Salidroside

>  <Synonyms> (72)
Rhodioloside

>  <Target> (72)
Mitophagy,mTOR,PREP

>  <Form> (72)
free base

>  <CAS> (72)
10338-51-9

>  <URL> (72)
http://selleckchem.com/products/Salidroside-Rhodioloside.html

$$$$
AZD8330.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (73)
73

>  <Formula> (73)
C16H17FIN3O4

>  <MolWeight> (73)
461.2267532

>  <Cat> (73)
S2134

>  <Name> (73)
AZD8330

>  <Synonyms> (73)
ARRY704

>  <Target> (73)
MEK

>  <Form> (73)
free base

>  <CAS> (73)
869357-68-6

>  <URL> (73)
http://selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
raf265.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (74)
74

>  <Formula> (74)
C24H16F6N6O

>  <MolWeight> (74)
518.4138592

>  <Cat> (74)
S2161

>  <Name> (74)
RAF265 (CHIR-265)

>  <Synonyms> (74)
N/A

>  <Target> (74)
Apoptosis related,Raf,VEGFR

>  <Form> (74)
free base

>  <CAS> (74)
927880-90-8

>  <URL> (74)
http://selleckchem.com/products/RAF265(CHIR-265).html

$$$$
PP442.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (75)
75

>  <Formula> (75)
C16H16N6O

>  <MolWeight> (75)
308.33784

>  <Cat> (75)
S2218

>  <Name> (75)
Torkinib (PP242)

>  <Synonyms> (75)
N/A

>  <Target> (75)
Apoptosis related,Autophagy,Mitophagy,mTOR

>  <Form> (75)
free base

>  <CAS> (75)
1092351-67-1

>  <URL> (75)
http://selleckchem.com/products/PP242.html

$$$$
SB 590885.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (76)
76

>  <Formula> (76)
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>  <MolWeight> (76)
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>  <Cat> (76)
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SB590885

>  <Synonyms> (76)
N/A

>  <Target> (76)
Raf

>  <Form> (76)
free base

>  <CAS> (76)
405554-55-4

>  <URL> (76)
http://selleckchem.com/products/SB590885.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/11272415532D

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 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C22H18O11

>  <MolWeight> (77)
458.37172

>  <Cat> (77)
S2250

>  <Name> (77)
(-)-Epigallocatechin Gallate

>  <Synonyms> (77)
EGCG

>  <Target> (77)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (77)
free base

>  <CAS> (77)
989-51-5

>  <URL> (77)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
(+)-Usniacin.cdx
csChFnd80/11272415532D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2 10  2  0  0  0  0
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 14  5  1  0  0  0  0
 13 15  1  0  0  0  0
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 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> (78)
78

>  <Formula> (78)
C18H16O7

>  <MolWeight> (78)
344.31544

>  <Cat> (78)
S2252

>  <Name> (78)
(+)-Usniacin

>  <Synonyms> (78)
D-Usnic Acid

>  <Target> (78)
Others

>  <Form> (78)
free base

>  <CAS> (78)
7562-61-0

>  <URL> (78)
http://selleckchem.com/products/Usniacin-D-Usnic-acid.html

$$$$
MPEP.cdx
csChFnd80/11272415532D

 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
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 13 14  1  0  0  0  0
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  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C14H11N

>  <MolWeight> (79)
193.24384

>  <Cat> (79)
S2809

>  <Name> (79)
MPEP

>  <Synonyms> (79)
N/A

>  <Target> (79)
GluR

>  <Form> (79)
free base

>  <CAS> (79)
96206-92-7

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

$$$$
Chlorogenic acid.cdx
csChFnd80/11272415532D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  2  7  1  6  0  0  0
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 10 12  2  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C16H18O9

>  <MolWeight> (80)
354.30872

>  <Cat> (80)
S2280

>  <Name> (80)
Chlorogenic Acid

>  <Synonyms> (80)
NSC 407296, Heriguard

>  <Target> (80)
Others

>  <Form> (80)
free base

>  <CAS> (80)
327-97-9

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

$$$$
Fisetin.cdx
csChFnd80/11272415532D

 21 23  0  0  0  0  0  0  0  0999 V2000
    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
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C15H10O6

>  <MolWeight> (81)
286.2363

>  <Cat> (81)
S2298

>  <Name> (81)
Fisetin

>  <Synonyms> (81)
N/A

>  <Target> (81)
Sirtuin

>  <Form> (81)
free base

>  <CAS> (81)
528-48-3

>  <URL> (81)
http://selleckchem.com/products/Fisetin(Fustel).html

$$$$
Honokiol.cdx
csChFnd80/11272415532D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C18H18O2

>  <MolWeight> (82)
266.33432

>  <Cat> (82)
S2310

>  <Name> (82)
Honokiol (NSC 293100)

>  <Synonyms> (82)
N/A

>  <Target> (82)
Akt,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,HCV,MEK

>  <Form> (82)
free base

>  <CAS> (82)
35354-74-6

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

$$$$
Oridonin.cdx
csChFnd80/11272415532D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C20H28O6

>  <MolWeight> (83)
364.43272

>  <Cat> (83)
S2335

>  <Name> (83)
Oridonin (NSC-250682)

>  <Synonyms> (83)
Isodonol, Rubescenin

>  <Target> (83)
Akt,Bacterial

>  <Form> (83)
free base

>  <CAS> (83)
28957-04-2

>  <URL> (83)
http://selleckchem.com/products/Oridonin(Isodonol).html

$$$$
Parthenolide.cdx
csChFnd80/11272415532D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    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
  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
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C15H20O3

>  <MolWeight> (84)
248.3175

>  <Cat> (84)
S2341

>  <Name> (84)
(-)-Parthenolide

>  <Synonyms> (84)
N/A

>  <Target> (84)
HDAC,MDM2/MDMX,NF-¦ÊB,p53

>  <Form> (84)
free base

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

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

$$$$
Phloretin.cdx
csChFnd80/11272415532D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  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
 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 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> (85)
85

>  <Formula> (85)
C15H14O5

>  <MolWeight> (85)
274.26866

>  <Cat> (85)
S2342

>  <Name> (85)
Phloretin (RJC 02792)

>  <Synonyms> (85)
NSC 407292, Dihydronaringenin

>  <Target> (85)
SGLT

>  <Form> (85)
free base

>  <CAS> (85)
60-82-2

>  <URL> (85)
http://selleckchem.com/products/Phloretin(Dihydronaringenin).html

$$$$
Phlorizin.cdx
csChFnd80/11272415532D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1202    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5408    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
 17 26  1  6  0  0  0
 15 27  1  6  0  0  0
 22 28  1  0  0  0  0
  7 29  2  0  0  0  0
  3 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C21H24O10

>  <MolWeight> (86)
436.40926

>  <Cat> (86)
S2343

>  <Name> (86)
Phlorizin

>  <Synonyms> (86)
Phloridzin

>  <Target> (86)
ATPase,SGLT

>  <Form> (86)
free base

>  <CAS> (86)
60-81-1

>  <URL> (86)
http://selleckchem.com/products/Phlorizin(Phloridzin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/11272415532D

 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
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    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> (87)
87

>  <Formula> (87)
C15H12O8

>  <MolWeight> (87)
320.25098

>  <Cat> (87)
S2399

>  <Name> (87)
Dihydromyricetin

>  <Synonyms> (87)
Ampeloptin

>  <Target> (87)
GABA Receptor,ROS

>  <Form> (87)
free base

>  <CAS> (87)
27200-12-0

>  <URL> (87)
http://selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/11272415532D

 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> (88)
88

>  <Formula> (88)
C15H22N2O

>  <MolWeight> (88)
246.34798

>  <Cat> (88)
S2405

>  <Name> (88)
Sophocarpine

>  <Synonyms> (88)
N/A

>  <Target> (88)
Potassium Channel

>  <Form> (88)
free base

>  <CAS> (88)
6483-15-4

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

$$$$
Chrysophanic acid.cdx
csChFnd80/11272415532D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C15H10O4

>  <MolWeight> (89)
254.2375

>  <Cat> (89)
S2406

>  <Name> (89)
Chrysophanic Acid

>  <Synonyms> (89)
Chrysophanol

>  <Target> (89)
EGFR,mTOR

>  <Form> (89)
free base

>  <CAS> (89)
481-74-3

>  <URL> (89)
http://selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/11272415532D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    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
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  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
 13 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
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C18H29ClN2O

>  <MolWeight> (90)
324.88866

>  <Cat> (90)
S2454

>  <Name> (90)
Bupivacaine HCl

>  <Synonyms> (90)
N/A

>  <Target> (90)
Sodium Channel

>  <Form> (90)
Hydrochloride

>  <CAS> (90)
18010-40-7

>  <URL> (90)
http://selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
Fenbendazole.cdx
csChFnd80/11272415532D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    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
    4.8455    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    0.2698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.5351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8224    3.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9151    2.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    5.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 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
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C15H13N3O2S

>  <MolWeight> (91)
299.34762

>  <Cat> (91)
S2468

>  <Name> (91)
Fenbendazole

>  <Synonyms> (91)
Fenbendazol,Phenbendasol

>  <Target> (91)
Parasite

>  <Form> (91)
free base

>  <CAS> (91)
43210-67-9

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

$$$$
GSK2126458.cdx
csChFnd80/11272415532D

 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
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>  <Mol_ID> (92)
92

>  <Formula> (92)
C25H17F2N5O3S

>  <MolWeight> (92)
505.4959864

>  <Cat> (92)
S2658

>  <Name> (92)
Omipalisib (GSK2126458)

>  <Synonyms> (92)
GSK458

>  <Target> (92)
Autophagy,mTOR,PI3K

>  <Form> (92)
free base

>  <CAS> (92)
1086062-66-9

>  <URL> (92)
http://selleckchem.com/products/gsk2126458.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C10H16ClN5

>  <MolWeight> (93)
241.72054

>  <Cat> (93)
S2542

>  <Name> (93)
Phenformin (NSC-756501) HCl

>  <Synonyms> (93)
Phenethylbiguanide HCl

>  <Target> (93)
AMPK

>  <Form> (93)
Hydrochloride

>  <CAS> (93)
834-28-6

>  <URL> (93)
http://selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
OSI-027.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (94)
94

>  <Formula> (94)
C21H22N6O3

>  <MolWeight> (94)
406.43778

>  <Cat> (94)
S2624

>  <Name> (94)
OSI-027

>  <Synonyms> (94)
ASP4786, CERC 006, AEVI-006

>  <Target> (94)
Autophagy,mTOR

>  <Form> (94)
free base

>  <CAS> (94)
936890-98-1

>  <URL> (94)
http://selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/11272415532D

 24 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (95)
95

>  <Formula> (95)
C17H17N7

>  <MolWeight> (95)
319.36378

>  <Cat> (95)
S2622

>  <Name> (95)
PP121

>  <Synonyms> (95)
N/A

>  <Target> (95)
Bcr-Abl,DNA-PK,mTOR,PDGFR,Src,VEGFR

>  <Form> (95)
free base

>  <CAS> (95)
1092788-83-4

>  <URL> (95)
http://selleckchem.com/products/PP121.html

$$$$
Cortisone acetate.cdx
csChFnd80/11272415532D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C23H30O6

>  <MolWeight> (96)
402.4807

>  <Cat> (96)
S2559

>  <Name> (96)
Cortisone acetate

>  <Synonyms> (96)
Cortone,NSC 49420

>  <Target> (96)
Glucocorticoid Receptor

>  <Form> (96)
free base

>  <CAS> (96)
50-04-4

>  <URL> (96)
http://selleckchem.com/products/Cortisone-acetate-Cortone.html

$$$$
CCT128930.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (97)
97

>  <Formula> (97)
C18H20ClN5

>  <MolWeight> (97)
341.8379

>  <Cat> (97)
S2635

>  <Name> (97)
CCT128930

>  <Synonyms> (97)
N/A

>  <Target> (97)
Akt,Apoptosis related,Autophagy

>  <Form> (97)
free base

>  <CAS> (97)
885499-61-6

>  <URL> (97)
http://selleckchem.com/products/cct128930.html

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A-674563.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (98)
98

>  <Formula> (98)
C22H22N4O

>  <MolWeight> (98)
358.43628

>  <Cat> (98)
S2670

>  <Name> (98)
A-674563

>  <Synonyms> (98)
N/A

>  <Target> (98)
Akt,CDK,PKA

>  <Form> (98)
free base

>  <CAS> (98)
552325-73-2

>  <URL> (98)
http://selleckchem.com/products/a-674563.html

$$$$
WAY-600.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (99)
99

>  <Formula> (99)
C28H30N8O

>  <MolWeight> (99)
494.5908

>  <Cat> (99)
S2689

>  <Name> (99)
WAY-600

>  <Synonyms> (99)
N/A

>  <Target> (99)
mTOR

>  <Form> (99)
free base

>  <CAS> (99)
1062159-35-6

>  <URL> (99)
http://selleckchem.com/products/way-600.html

$$$$
WYE125132.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (100)
100

>  <Formula> (100)
C27H33N7O4

>  <MolWeight> (100)
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>  <Cat> (100)
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>  <Name> (100)
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>  <Synonyms> (100)
N/A

>  <Target> (100)
mTOR

>  <Form> (100)
free base

>  <CAS> (100)
1144068-46-1

>  <URL> (100)
http://selleckchem.com/products/wye-125132.html

$$$$
937174-76-0.cdx
csChFnd80/11272415532D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C21H27N7O3

>  <MolWeight> (101)
425.48418

>  <Cat> (101)
S1113

>  <Name> (101)
GSK690693

>  <Synonyms> (101)
N/A

>  <Target> (101)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (101)
free base

>  <CAS> (101)
937174-76-0

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

$$$$
LIDEX-E (fluocinonide).cdx
csChFnd80/11272415532D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C26H32F2O7

>  <MolWeight> (102)
494.5248864

>  <Cat> (102)
S2608

>  <Name> (102)
Fluocinonide

>  <Synonyms> (102)
Vanos,nsc 101791

>  <Target> (102)
Glucocorticoid Receptor

>  <Form> (102)
free base

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

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

$$$$
Prednisolone acetate.cdx
csChFnd80/11272415532D

 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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M  END
>  <Mol_ID> (103)
103

>  <Formula> (103)
C23H30O6

>  <MolWeight> (103)
402.4807

>  <Cat> (103)
S2570

>  <Name> (103)
Prednisolone Acetate

>  <Synonyms> (103)
Omnipred,Prednisolone-21-acetate

>  <Target> (103)
Glucocorticoid Receptor

>  <Form> (103)
free base

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

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

$$$$
Clinofbrate.cdx
csChFnd80/11272415532D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C28H36O6

>  <MolWeight> (104)
468.58184

>  <Cat> (104)
S2664

>  <Name> (104)
Clinofibrate

>  <Synonyms> (104)
N/A

>  <Target> (104)
HMG-CoA Reductase

>  <Form> (104)
free base

>  <CAS> (104)
30299-08-2

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

$$$$
GSK1120212.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C26H23FIN5O4

>  <MolWeight> (105)
615.3947932

>  <Cat> (105)
S2673

>  <Name> (105)
Trametinib (GSK1120212)

>  <Synonyms> (105)
JTP-74057, Mekinist

>  <Target> (105)
Apoptosis related,Autophagy,MEK

>  <Form> (105)
free base

>  <CAS> (105)
871700-17-3

>  <URL> (105)
http://selleckchem.com/products/gsk1120212-jtp-74057.html

$$$$
A769662.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C20H12N2O3S

>  <MolWeight> (106)
360.38588

>  <Cat> (106)
S2697

>  <Name> (106)
A-769662

>  <Synonyms> (106)
N/A

>  <Target> (106)
AMPK,Fatty Acid Synthase

>  <Form> (106)
free base

>  <CAS> (106)
844499-71-4

>  <URL> (106)
http://selleckchem.com/products/a-769662.html

$$$$
ZM336372.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C23H23N3O3

>  <MolWeight> (107)
389.44702

>  <Cat> (107)
S2720

>  <Name> (107)
ZM 336372

>  <Synonyms> (107)
Zinc00581684

>  <Target> (107)
Raf

>  <Form> (107)
free base

>  <CAS> (107)
208260-29-1

>  <URL> (107)
http://selleckchem.com/products/zm-336372.html

$$$$
GDC 0980.cdx
csChFnd80/11272415532D

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 16 17  1  0  0  0  0
 10 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 15 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
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 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
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 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  6  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C23H30N8O3S

>  <MolWeight> (108)
498.6011

>  <Cat> (108)
S2696

>  <Name> (108)
Apitolisib (GDC-0980)

>  <Synonyms> (108)
RG7422, GNE 390

>  <Target> (108)
Apoptosis related,Autophagy,mTOR,PI3K

>  <Form> (108)
free base

>  <CAS> (108)
1032754-93-0

>  <URL> (108)
http://selleckchem.com/products/GDC-0980-RG7422.html

$$$$
INK 128.cdx
csChFnd80/11272415532D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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  6 13  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
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 16 20  1  0  0  0  0
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 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C15H15N7O

>  <MolWeight> (109)
309.3259

>  <Cat> (109)
S2811

>  <Name> (109)
Sapanisertib (MLN0128)

>  <Synonyms> (109)
INK 128,TAK-228

>  <Target> (109)
mTOR

>  <Form> (109)
free base

>  <CAS> (109)
1224844-38-5

>  <URL> (109)
http://selleckchem.com/products/ink128.html

$$$$
PF-04691502.cdx
csChFnd80/11272415532D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 17 11  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C22H27N5O4

>  <MolWeight> (110)
425.48088

>  <Cat> (110)
S2743

>  <Name> (110)
PF-04691502

>  <Synonyms> (110)
PF4691502

>  <Target> (110)
Akt,Apoptosis related,mTOR,PI3K

>  <Form> (110)
free base

>  <CAS> (110)
1013101-36-4

>  <URL> (110)
http://selleckchem.com/products/pf-04691502.html

$$$$
Fluticasone propionate.cdx
csChFnd80/11272415532D

 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
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M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C25H31F3O5S

>  <MolWeight> (111)
500.5708496

>  <Cat> (111)
S1992

>  <Name> (111)
Fluticasone propionate

>  <Synonyms> (111)
CCI-187881

>  <Target> (111)
Glucocorticoid Receptor

>  <Form> (111)
free base

>  <CAS> (111)
80474-14-2

>  <URL> (111)
http://selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

$$$$
Mometasone furoate.cdx
csChFnd80/11272415532D

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 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 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
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 23 28  1  0  0  0  0
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 31 32  2  0  0  0  0
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 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> (112)
112

>  <Formula> (112)
C27H30Cl2O6

>  <MolWeight> (112)
521.4295

>  <Cat> (112)
S1987

>  <Name> (112)
Mometasone furoate

>  <Synonyms> (112)
SCH-32088,mometasone 17-furoate

>  <Target> (112)
Glucocorticoid Receptor

>  <Form> (112)
Furoate

>  <CAS> (112)
83919-23-7

>  <URL> (112)
http://selleckchem.com/products/mometasone-furoate.html

$$$$
Clobetasol propionate.cdx
csChFnd80/11272415532D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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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    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.1770    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    8.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.6372    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0268    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2392    5.3326    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    6.7278    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
 16 24  1  1  0  0  0
 14 25  1  6  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
 16 33  1  6  0  0  0
 23 34  1  0  0  0  0
 34 35  1  0  0  0  0
 23 36  2  0  0  0  0
M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C25H32ClFO5

>  <MolWeight> (113)
466.9699832

>  <Cat> (113)
S2584

>  <Name> (113)
Clobetasol propionate

>  <Synonyms> (113)
CGP9555, CCl 4725

>  <Target> (113)
Glucocorticoid Receptor

>  <Form> (113)
free base

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

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

$$$$
Genipin.cdx
csChFnd80/11272415532D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7564    2.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    6.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0000    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
    3.6289    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    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  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  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  1  1  0  0  0
  4 17  1  1  0  0  0
  6 18  1  1  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C11H14O5

>  <MolWeight> (114)
226.22586

>  <Cat> (114)
S2412

>  <Name> (114)
Genipin

>  <Synonyms> (114)
(+)-Genipin

>  <Target> (114)
Apoptosis related

>  <Form> (114)
free base

>  <CAS> (114)
6902-77-8

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

$$$$
Paeoniflorin.cdx
csChFnd80/11272415532D

 36 41  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.0593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    2.6593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.9593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.6593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.0593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.7569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    6.8569    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.8041    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1765    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5288    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5187    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1564    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6086    9.5786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4295    5.0387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5664    8.0260    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
  1  7  1  1  0  0  0
  3  8  1  1  0  0  0
  5  9  1  1  0  0  0
  2 10  1  6  0  0  0
  4 11  1  6  0  0  0
  7 12  1  0  0  0  0
 13  9  1  1  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 13  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 13  1  0  0  0  0
 14 24  1  1  0  0  0
 18 25  1  1  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  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
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 15 34  1  1  0  0  0
 27 35  2  0  0  0  0
 17 36  1  6  0  0  0
 19 36  1  6  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C23H28O11

>  <MolWeight> (115)
480.46182

>  <Cat> (115)
S2410

>  <Name> (115)
Paeoniflorin (NSC 178886)

>  <Synonyms> (115)
NSC 178886,Peoniflorin

>  <Target> (115)
COX,HIF

>  <Form> (115)
free base

>  <CAS> (115)
23180-57-6

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

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/11272415532D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   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
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    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
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  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
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C14H22N2O

>  <MolWeight> (116)
234.33728

>  <Cat> (116)
S1357

>  <Name> (116)
Lidocaine

>  <Synonyms> (116)
Alphacaine

>  <Target> (116)
Histamine Receptor

>  <Form> (116)
Free Base

>  <CAS> (116)
137-58-6

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

$$$$
ADX47273.cdx
csChFnd80/11272415532D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    3.5000    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
    0.0000    4.2000    0.0000 F   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
    6.0622    2.1000    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
    7.2746    1.4000    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
    8.4870    3.5000    0.0000 C   0  0  0  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
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    6.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    7.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    6.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7975    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898    8.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0127    9.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4433   11.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0510   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2281   10.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2662   12.2849    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
  4  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C20H17F2N3O2

>  <MolWeight> (117)
369.3646864

>  <Cat> (117)
S2690

>  <Name> (117)
ADX-47273

>  <Synonyms> (117)
BA 94673139

>  <Target> (117)
GluR

>  <Form> (117)
free base

>  <CAS> (117)
851881-60-2

>  <URL> (117)
http://selleckchem.com/products/adx-47273.html

$$$$
Sodium salicylate.cdx
csChFnd80/11272415532D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C7H6NaO3

>  <MolWeight> (118)
161.11051

>  <Cat> (118)
S3137

>  <Name> (118)
Sodium salicylate

>  <Synonyms> (118)
2-Hydroxybenzoic acid Sodium salt,Salicylic acid Sodium salt

>  <Target> (118)
NF-¦ÊB

>  <Form> (118)
sodium salt

>  <CAS> (118)
54-21-7

>  <URL> (118)
http://selleckchem.com/products/sodium-salicylate.html

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/11272415532D

 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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7348    6.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8013    7.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2324    9.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4366    7.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0055    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   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
    5.2079    1.4477    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
   13.5180    5.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7304    6.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7304    7.4078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9386    5.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9386    3.9199    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  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
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 16 30  1  1  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 17 33  1  6  0  0  0
 14 38  1  1  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C28H37ClO7

>  <MolWeight> (119)
521.04218

>  <Cat> (119)
S3078

>  <Name> (119)
Beclomethasone dipropionate

>  <Synonyms> (119)
Beclometasone dipropionate,Beclovent,Beconase,Vancenase

>  <Target> (119)
Glucocorticoid Receptor

>  <Form> (119)
free base

>  <CAS> (119)
5534-09-8

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

$$$$
Pircetam.cdx
csChFnd80/11272415532D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    3.6222    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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C6H10N2O2

>  <MolWeight> (120)
142.1558

>  <Cat> (120)
S3070

>  <Name> (120)
Piracetam

>  <Synonyms> (120)
UCB 6215

>  <Target> (120)
GluR

>  <Form> (120)
free base

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

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

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/11272415532D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  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
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C9H10O3

>  <MolWeight> (121)
166.1739

>  <Cat> (121)
S2425

>  <Name> (121)
Apocynin (NSC 2146)

>  <Synonyms> (121)
Acetovanillone, NSC 209524

>  <Target> (121)
NADPH-oxidase

>  <Form> (121)
free base

>  <CAS> (121)
498-02-2

>  <URL> (121)
http://selleckchem.com/products/apocynin-acetovanillone.html

$$$$
VU 0364770.cdx
csChFnd80/11272415532D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   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
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    9.6995    2.8000    0.0000 Cl  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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C12H9ClN2O

>  <MolWeight> (122)
232.66566

>  <Cat> (122)
S2862

>  <Name> (122)
VU 0364770

>  <Synonyms> (122)
N/A

>  <Target> (122)
GluR

>  <Form> (122)
free base

>  <CAS> (122)
61350-00-3

>  <URL> (122)
http://selleckchem.com/products/vu-0364770.html

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/11272415532D

 20 20  0  0  0  0  0  0  0  0999 V2000
    8.8488    0.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0613    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6364    1.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4777    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6859    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8942    1.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1024    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3106    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3106    2.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6106    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0106    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0152    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5231    3.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8395    1.8350    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C16H32Br2N2

>  <MolWeight> (123)
412.24668

>  <Cat> (123)
S2860

>  <Name> (123)
IEM 1754 2HBr

>  <Synonyms> (123)
N/A

>  <Target> (123)
GluR

>  <Form> (123)
DihydrobroMide

>  <CAS> (123)
162831-31-4

>  <URL> (123)
http://selleckchem.com/products/iem-1754-dihydrobromide.html

$$$$
VU 0361737.cdx
csChFnd80/11272415532D

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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  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
 10 11  1  0  0  0  0
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 16 17  1  0  0  0  0
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 13 18  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C13H11ClN2O2

>  <MolWeight> (124)
262.69164

>  <Cat> (124)
S2892

>  <Name> (124)
VU 0361737

>  <Synonyms> (124)
N/A

>  <Target> (124)
GluR

>  <Form> (124)
free base

>  <CAS> (124)
1161205-04-4

>  <URL> (124)
http://selleckchem.com/products/vu-0361737.html

$$$$
BI-D1870.cdx
csChFnd80/11272415532D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    4.8903    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0000    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
  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
  2  8  1  0  0  0  0
  6  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
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 20 14  1  0  0  0  0
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 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C19H23F2N5O2

>  <MolWeight> (125)
391.4150264

>  <Cat> (125)
S2843

>  <Name> (125)
BI-D1870

>  <Synonyms> (125)
N/A

>  <Target> (125)
Autophagy,ROS,S6 Kinase

>  <Form> (125)
free base

>  <CAS> (125)
501437-28-1

>  <URL> (125)
http://selleckchem.com/products/bi-d1870.html

$$$$
IOX2.cdx
csChFnd80/11272415532D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 O   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
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    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
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  8 17  1  0  0  0  0
 12 17  2  0  0  0  0
 19 20  1  0  0  0  0
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 22 23  2  0  0  0  0
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 18 19  1  0  0  0  0
  8 18  1  0  0  0  0
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 11 26  1  0  0  0  0
  6 10  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C19H16N2O5

>  <MolWeight> (126)
352.34074

>  <Cat> (126)
S2919

>  <Name> (126)
IOX2

>  <Synonyms> (126)
JICL38

>  <Target> (126)
HIF

>  <Form> (126)
free base

>  <CAS> (126)
931398-72-0

>  <URL> (126)
http://selleckchem.com/products/iox2.html

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/11272415532D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    4.8927    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
    9.6827    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  6  0  0  0
  6 12  1  6  0  0  0
  5 13  1  1  0  0  0
 10 14  1  1  0  0  0
  9 15  1  1  0  0  0
 14 16  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  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
 17 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 17  1  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  1  0  0  0
 20 30  1  1  0  0  0
 17 16  1  6  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C24H36O5

>  <MolWeight> (127)
404.53964

>  <Cat> (127)
S2061

>  <Name> (127)
Lovastatin (MK-803)

>  <Synonyms> (127)
Mevinolin,Mevacor

>  <Target> (127)
Autophagy,HMG-CoA Reductase

>  <Form> (127)
free base

>  <CAS> (127)
75330-75-5

>  <URL> (127)
http://selleckchem.com/products/lovastatin-mevacor.html

$$$$
Atorvastatin calcium.cdx
csChFnd80/11272415532D

 83 88  0  0  0  0  0  0  0  0999 V2000
   19.4186    4.8013    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   18.7029    6.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7909    7.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5719    9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6598    9.9061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4408   11.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5288   12.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.3098   13.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3978   14.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1788   15.8163    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   23.7048   13.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8358   11.6681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9668    9.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3506    7.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C66H68CaF2N4O10

>  <MolWeight> (128)
1155.3417264

>  <Cat> (128)
S2077

>  <Name> (128)
Atorvastatin Calcium

>  <Synonyms> (128)
N/A

>  <Target> (128)
Apoptosis related,Autophagy,HMG-CoA Reductase

>  <Form> (128)
Calcium

>  <CAS> (128)
134523-03-8

>  <URL> (128)
http://selleckchem.com/products/atorvastatin-calcium-lipitor.html

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (129)
129

>  <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

$$$$
Pifithrin-¦Á.cdx
csChFnd80/11272415532D

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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C16H19BrN2OS

>  <MolWeight> (130)
367.30386

>  <Cat> (130)
S2929

>  <Name> (130)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (130)
Pifithrin-¦Á hydrobromide

>  <Target> (130)
AhR,Autophagy,p53

>  <Form> (130)
HBr

>  <CAS> (130)
63208-82-2

>  <URL> (130)
http://selleckchem.com/products/pifithrin-alpha.html

$$$$
aicar.cdx
csChFnd80/11272415532D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C9H14N4O5

>  <MolWeight> (131)
258.23126

>  <Cat> (131)
S1802

>  <Name> (131)
AICAR (Acadesine)

>  <Synonyms> (131)
NSC105823, AICA Riboside

>  <Target> (131)
AMPK,Mitophagy

>  <Form> (131)
free base

>  <CAS> (131)
2627-69-2

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

$$$$
PF-04708671.cdx
csChFnd80/11272415532D

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 19  1  1  0  0  0  0
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>  <Mol_ID> (132)
132

>  <Formula> (132)
C19H21F3N6

>  <MolWeight> (132)
390.4054496

>  <Cat> (132)
S2163

>  <Name> (132)
PF-4708671

>  <Synonyms> (132)
N/A

>  <Target> (132)
Autophagy,S6 Kinase

>  <Form> (132)
free base

>  <CAS> (132)
1255517-76-0

>  <URL> (132)
http://selleckchem.com/products/pf-4708671.html

$$$$
SL327.cdx
csChFnd80/11272415532D

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 13 14  3  0  0  0  0
M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C16H12F3N3S

>  <MolWeight> (133)
335.3467896

>  <Cat> (133)
S1066

>  <Name> (133)
SL-327

>  <Synonyms> (133)
N/A

>  <Target> (133)
MEK

>  <Form> (133)
free base

>  <CAS> (133)
305350-87-2

>  <URL> (133)
http://selleckchem.com/products/SL327.html

$$$$
flumethasone.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C22H28F2O5

>  <MolWeight> (134)
410.4515264

>  <Cat> (134)
S4088

>  <Name> (134)
Flumethasone

>  <Synonyms> (134)
RS-2177, NSC-54702,Flumetasone

>  <Target> (134)
Glucocorticoid Receptor

>  <Form> (134)
free base

>  <CAS> (134)
2135-17-3

>  <URL> (134)
http://selleckchem.com/products/flumethasone.html

$$$$
Fluorometholone Acetate.cdx
csChFnd80/11272415532D

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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 18  1  6  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
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 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> (135)
135

>  <Formula> (135)
C24H31FO5

>  <MolWeight> (135)
418.4983432

>  <Cat> (135)
S4228

>  <Name> (135)
Fluorometholone Acetate

>  <Synonyms> (135)
NSC 47438,Oxylone acetate

>  <Target> (135)
Glucocorticoid Receptor

>  <Form> (135)
free base

>  <CAS> (135)
3801-06-7

>  <URL> (135)
http://selleckchem.com/products/fluorometholone-acetate.html

$$$$
mevastatin.cdx
csChFnd80/11272415532D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.7009    8.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    7.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    9.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    6.3003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2739    8.4028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9073    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    7.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    2.1023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8539    2.8008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6405    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4803    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    2.1023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6405    6.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    4.1978    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6405    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    3.4993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  6  1  2  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  8  1  6  0  0  0
  7  4  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  1  0  0  0
 18  8  1  0  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
 15 10  1  0  0  0  0
 10 29  1  1  0  0  0
 11 14  1  6  0  0  0
 23 11  1  0  0  0  0
 12 14  1  0  0  0  0
 20 12  2  0  0  0  0
 22 12  1  0  0  0  0
 16 13  1  0  0  0  0
 21 13  2  0  0  0  0
 15 18  1  1  0  0  0
 19 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 19 25  1  1  0  0  0
 24 21  1  0  0  0  0
 26 22  1  0  0  0  0
 22 27  1  1  0  0  0
 23 24  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C23H34O5

>  <MolWeight> (136)
390.51306

>  <Cat> (136)
S4223

>  <Name> (136)
Mevastatin

>  <Synonyms> (136)
ML-236B,Compactin

>  <Target> (136)
HMG-CoA Reductase

>  <Form> (136)
free base

>  <CAS> (136)
73573-88-3

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

$$$$
Latrepirdine.cdx
csChFnd80/11272415532D

 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
   13.2462    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4585    2.0952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054   11.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9777   11.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7227   24.9738    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   24.9738    0.0000 Cl  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  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
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  1  0  0  0  0
 15 17  1  0  0  0  0
  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> (137)
137

>  <Formula> (137)
C21H27Cl2N3

>  <MolWeight> (137)
392.36518

>  <Cat> (137)
S1245

>  <Name> (137)
Latrepirdine 2HCl

>  <Synonyms> (137)
N/A

>  <Target> (137)
5-HT Receptor,GluR,Histamine Receptor

>  <Form> (137)
Dihydrochloride

>  <CAS> (137)
97657-92-6

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

$$$$
untitled.cdx
csChFnd80/11272415532D

 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
    4.5937    2.6157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9912    2.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2908    4.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3532    4.2016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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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  3  6  1  1  0  0  0
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  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  2  0  0  0  0
 12 11  1  0  0  0  0
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 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
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 19 20  1  0  0  0  0
 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> (138)
138

>  <Formula> (138)
C13H16N6O4

>  <MolWeight> (138)
320.30394

>  <Cat> (138)
S1117

>  <Name> (138)
Triciribine (NSC 154020)

>  <Synonyms> (138)
VD-0002, vqd-002, API-2, TCN

>  <Target> (138)
Akt,DNA/RNA Synthesis,HIV

>  <Form> (138)
free base

>  <CAS> (138)
35943-35-2

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

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/11272415532D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    5.1875    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
  7  8  3  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
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C8H7NO2S

>  <MolWeight> (139)
181.21168

>  <Cat> (139)
S2930

>  <Name> (139)
Pifithrin-¦Ì

>  <Synonyms> (139)
NSC 303580, PFT¦Ì, 2-Phenylethynesulfonamide

>  <Target> (139)
Autophagy,HSP (HSP90),p53

>  <Form> (139)
free base

>  <CAS> (139)
64984-31-2

>  <URL> (139)
http://selleckchem.com/products/pifithrin-u.html

$$$$
METI-DERM (prednisolone).cdx
csChFnd80/11272415532D

 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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    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
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    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    6.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C21H28O5

>  <MolWeight> (140)
360.44402

>  <Cat> (140)
S1737

>  <Name> (140)
Prednisolone (NSC-9900)

>  <Synonyms> (140)
NSC-9900

>  <Target> (140)
Glucocorticoid Receptor,Immunology & Inflammation related

>  <Form> (140)
Free Base

>  <CAS> (140)
50-24-8

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

$$$$
Tenovin-6 HCl.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C25H35ClN4O2S

>  <MolWeight> (141)
491.089

>  <Cat> (141)
S4900

>  <Name> (141)
Tenovin-6

>  <Synonyms> (141)
N/A

>  <Target> (141)
Dehydrogenase,p53,Sirtuin

>  <Form> (141)
free base

>  <CAS> (141)
1011557-82-6

>  <URL> (141)
http://selleckchem.com/products/tenovin-6.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/11272415532D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 30 15  1  0  0  0  0
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M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C19H20F3IN2O5S

>  <MolWeight> (142)
572.3371796

>  <Cat> (142)
S1089

>  <Name> (142)
Refametinib (RDEA119)

>  <Synonyms> (142)
Bay 86-9766

>  <Target> (142)
MEK

>  <Form> (142)
free base

>  <CAS> (142)
923032-37-5

>  <URL> (142)
http://selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
Dicoumarol.cdx
csChFnd80/11272415532D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C19H12O6

>  <MolWeight> (143)
336.29498

>  <Cat> (143)
S4299

>  <Name> (143)
Dicoumarol

>  <Synonyms> (143)
Dicumarol

>  <Target> (143)
PDHK

>  <Form> (143)
free base

>  <CAS> (143)
66-76-2

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/11272415532D

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    9.6700    1.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  6  0  0  0
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  4  9  1  1  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
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 11 13  1  0  0  0  0
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 37 38  1  0  0  0  0
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 40 35  1  0  0  0  0
 12 41  1  6  0  0  0
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 14 43  1  6  0  0  0
 19 44  1  6  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 26 47  1  6  0  0  0
 47 48  1  0  0  0  0
 32 49  1  1  0  0  0
 49 50  1  0  0  0  0
 33 51  2  0  0  0  0
 34 52  2  0  0  0  0
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 56 57  2  0  0  0  0
 24 58  1  6  0  0  0
M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C44H69NO12

>  <MolWeight> (144)
804.01816

>  <Cat> (144)
S5003

>  <Name> (144)
Tacrolimus (FK506)

>  <Synonyms> (144)
FK506, FR900506, Fujimycin, Prograf

>  <Target> (144)
Autophagy,FKBP,phosphatase

>  <Form> (144)
free base

>  <CAS> (144)
104987-11-3

>  <URL> (144)
http://selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Rosuvastatin calcium.cdx
csChFnd80/11272415532D

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    2.6124    4.9098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.2457    7.7146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 62 65  1  0  0  0  0
 48 66  1  6  0  0  0
M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C44H54CaF2N6O12S2

>  <MolWeight> (145)
1001.1373664

>  <Cat> (145)
S2169

>  <Name> (145)
Rosuvastatin (ZD4522) calcium

>  <Synonyms> (145)
ZD4522 calcium

>  <Target> (145)
COVID-19,HMG-CoA Reductase

>  <Form> (145)
Calcium salt

>  <CAS> (145)
147098-20-2

>  <URL> (145)
http://selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

$$$$
Temsirolimus.cdx
csChFnd80/11272415532D

 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
    9.4144   10.9995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5035   12.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3348   13.1731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1584   10.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4242   14.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2499   15.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (146)
146

>  <Formula> (146)
C56H87NO16

>  <MolWeight> (146)
1030.28708

>  <Cat> (146)
S1044

>  <Name> (146)
Temsirolimus (CCI-779)

>  <Synonyms> (146)
NSC 683864,CCI-779

>  <Target> (146)
Apoptosis related,Autophagy,mTOR

>  <Form> (146)
free base

>  <CAS> (146)
162635-04-3

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

$$$$
PF-2341066.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C21H22Cl2FN5O

>  <MolWeight> (147)
450.3366832

>  <Cat> (147)
S1068

>  <Name> (147)
Crizotinib (PF-02341066)

>  <Synonyms> (147)
PF-02341066

>  <Target> (147)
ALK,Autophagy,c-Met,ROS1

>  <Form> (147)
free base

>  <CAS> (147)
877399-52-5

>  <URL> (147)
http://selleckchem.com/products/PF-2341066.html

$$$$
Acetylleucine.cdx
csChFnd80/11272415532D

 13 12  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C8H15NO3

>  <MolWeight> (148)
173.2096

>  <Cat> (148)
S4514

>  <Name> (148)
Acetylleucine

>  <Synonyms> (148)
N-acetyl-L-leucine

>  <Target> (148)
Others

>  <Form> (148)
free base

>  <CAS> (148)
99-15-0

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

$$$$
Aceglutamide.cdx
csChFnd80/11272415532D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8382    3.4913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C7H12N2O4

>  <MolWeight> (149)
188.18118

>  <Cat> (149)
S4512

>  <Name> (149)
Aceglutamide

>  <Synonyms> (149)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (149)
Others

>  <Form> (149)
free base

>  <CAS> (149)
2490-97-3

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

$$$$
Danthron.cdx
csChFnd80/11272415532D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C14H8O4

>  <MolWeight> (150)
240.21092

>  <Cat> (150)
S4561

>  <Name> (150)
Danthron

>  <Synonyms> (150)
chrysazin, Antrapurol

>  <Target> (150)
AMPK

>  <Form> (150)
free base

>  <CAS> (150)
117-10-2

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

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/11272415532D

 18 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (151)
151

>  <Formula> (151)
C14H23ClN2O

>  <MolWeight> (151)
270.79822

>  <Cat> (151)
S4667

>  <Name> (151)
Lidocaine hydrochloride

>  <Synonyms> (151)
Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (151)
EGFR

>  <Form> (151)
hydrochloride

>  <CAS> (151)
73-78-9

>  <URL> (151)
http://selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S4716 Evans Blue.cdx
csChFnd80/11272415532D

 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
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   25.8968    7.3036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 22 23  1  0  0  0  0
 57 58  1  0  0  0  0
 61 62  1  0  0  0  0
M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C34H24N6Na4O14S4

>  <MolWeight> (152)
960.80524

>  <Cat> (152)
S4716

>  <Name> (152)
Evans Blue

>  <Synonyms> (152)
Direct Blue 53,C.I.23860

>  <Target> (152)
GluR

>  <Form> (152)
sodium salt

>  <CAS> (152)
314-13-6

>  <URL> (152)
http://selleckchem.com/products/evans-blue.html

$$$$
S4711 Esculetin.cdx
csChFnd80/11272415532D

 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
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  6 10  2  0  0  0  0
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  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> (153)
153

>  <Formula> (153)
C9H6O4

>  <MolWeight> (153)
178.14154

>  <Cat> (153)
S4711

>  <Name> (153)
Esculetin

>  <Synonyms> (153)
Cichorigenin, Aesculetin

>  <Target> (153)
Lipoxygenase

>  <Form> (153)
free base

>  <CAS> (153)
305-01-1

>  <URL> (153)
http://selleckchem.com/products/esculetin.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/11272415532D

 52 56  0  0  0  0  0  0  0  0999 V2000
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   10.9455    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2825    1.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5127    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 49 50  1  0  0  0  0
 50 52  1  0  0  0  0
M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C36H30O16

>  <MolWeight> (154)
718.6138

>  <Cat> (154)
S4735

>  <Name> (154)
Salvianolic acid B

>  <Synonyms> (154)
Sal B, Lithospermate B, Lithospermic acid B

>  <Target> (154)
Sirtuin

>  <Form> (154)
free base

>  <CAS> (154)
121521-90-2

>  <URL> (154)
http://selleckchem.com/products/salvianolic-acid-b.html

$$$$
S4752 Corticosterone.cdx
csChFnd80/11272415532D

 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
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    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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  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
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 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> (155)
155

>  <Formula> (155)
C21H30O4

>  <MolWeight> (155)
346.4605

>  <Cat> (155)
S4752

>  <Name> (155)
Corticosterone (NSC-9705)

>  <Synonyms> (155)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (155)
Glucocorticoid Receptor

>  <Form> (155)
free base

>  <CAS> (155)
50-22-6

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

$$$$
S3617 (20S)-Protopanaxatriol.cdx
csChFnd80/11272415532D

 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
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    6.0847    9.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4622   11.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8340   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4713    8.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3702    6.9314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 16 23  1  0  0  0  0
 24 15  1  6  0  0  0
 11 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 28  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  1  1  0  0  0
  1 30  1  1  0  0  0
  8 31  1  6  0  0  0
 25 32  1  1  0  0  0
 16 33  1  6  0  0  0
 27 34  1  6  0  0  0
 10 35  1  1  0  0  0
 24 36  1  1  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C30H52O4

>  <MolWeight> (156)
476.73148

>  <Cat> (156)
S3617

>  <Name> (156)
(20S)-Protopanaxatriol

>  <Synonyms> (156)
g-PPT, 20(S)-APPT

>  <Target> (156)
Estrogen/progestogen Receptor,Glucocorticoid Receptor

>  <Form> (156)
free base

>  <CAS> (156)
34080-08-5

>  <URL> (156)
http://selleckchem.com/products/20s-protopanaxatriol.html

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/11272415532D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4290    3.5017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4035    2.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6220    4.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    1.3999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1910    1.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    3.4870    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    2.0754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6127    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0392    4.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0358    1.3754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7747    2.2587    0.0000 Cl  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  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  6  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C6H14ClNO5

>  <MolWeight> (157)
215.63206

>  <Cat> (157)
S3694

>  <Name> (157)
Glucosamine hydrochloride

>  <Synonyms> (157)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (157)
Others

>  <Form> (157)
hydrochloride

>  <CAS> (157)
66-84-2

>  <URL> (157)
http://selleckchem.com/products/glucosamine-hydrochloride.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/11272415532D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    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
    8.4870    4.2000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    6.9967    0.0000 C   0  0  1  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
    9.6995    3.5000    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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    8.3967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   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    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    9.0935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2821    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9138    6.9902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.1243    6.2870    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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  6  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 26 31  1  6  0  0  0
 26 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C21H20O11

>  <MolWeight> (158)
448.3769

>  <Cat> (158)
S3824

>  <Name> (158)
Quercitrin

>  <Synonyms> (158)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (158)
Immunology & Inflammation related

>  <Form> (158)
free base

>  <CAS> (158)
522-12-3

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/11272415532D

 58 65  0  0  0  0  0  0  0  0999 V2000
    9.6984    9.2105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4740    8.5036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9007    8.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4602    9.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6984   10.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    7.0593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2549    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090   11.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    6.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2584    6.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0158    8.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480   10.6287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4779    8.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6659    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    4.9347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0509    7.0503    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1859    5.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9584    5.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4140   11.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (159)
159

>  <Formula> (159)
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>  <MolWeight> (159)
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>  <Synonyms> (159)
AST-IV, AS-IV

>  <Target> (159)
Akt,ERK,JNK,mTOR,NF-¦ÊB

>  <Form> (159)
free base

>  <CAS> (159)
84687-43-4

>  <URL> (159)
http://selleckchem.com/products/sastragaloside-iv.html

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Torin 1.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (160)
160

>  <Formula> (160)
C35H28F3N5O2

>  <MolWeight> (160)
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>  <Cat> (160)
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>  <Name> (160)
Torin 1

>  <Synonyms> (160)
N/A

>  <Target> (160)
Autophagy,mTOR

>  <Form> (160)
Free Base

>  <CAS> (160)
1222998-36-8

>  <URL> (160)
http://selleckchem.com/products/torin-1.html

$$$$
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csChFnd80/11272415532D

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>  <Mol_ID> (161)
161

>  <Formula> (161)
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>  <MolWeight> (161)
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>  <Cat> (161)
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>  <Name> (161)
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>  <Synonyms> (161)
N/A

>  <Target> (161)
GluR

>  <Form> (161)
Free Base

>  <CAS> (161)
1246086-78-1

>  <URL> (161)
http://selleckchem.com/products/vu-0364439.html

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>  <Mol_ID> (162)
162

>  <Formula> (162)
C12H11NOS2

>  <MolWeight> (162)
249.35184

>  <Cat> (162)
S7153

>  <Name> (162)
10058-F4

>  <Synonyms> (162)
N/A

>  <Target> (162)
Apoptosis related,Autophagy,Myc

>  <Form> (162)
free base

>  <CAS> (162)
403811-55-2

>  <URL> (162)
http://selleckchem.com/products/10058-f4.html

$$$$
AGI5198.cdx
csChFnd80/11272415532D

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   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   12.1909    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C27H31FN4O2

>  <MolWeight> (163)
462.5590432

>  <Cat> (163)
S7185

>  <Name> (163)
AGI-5198

>  <Synonyms> (163)
IDH-C35

>  <Target> (163)
Dehydrogenase

>  <Form> (163)
free base

>  <CAS> (163)
1355326-35-0

>  <URL> (163)
http://selleckchem.com/products/agi-5198.html

$$$$
S4774 Xanthurenic Acid.cdx
csChFnd80/11272415532D

 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
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    6.0716    1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    0.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
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  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> (164)
164

>  <Formula> (164)
C10H7NO4

>  <MolWeight> (164)
205.16688

>  <Cat> (164)
S4774

>  <Name> (164)
Xanthurenic Acid

>  <Synonyms> (164)
xanthurenate, 8-Hydroxykynurenic acid, 4,8-Dihydroxyquinaldic acid

>  <Target> (164)
GluR

>  <Form> (164)
free base

>  <CAS> (164)
59-00-7

>  <URL> (164)
http://selleckchem.com/products/xanthurenic-acid.html

$$$$
S4775 Cortodoxone.cdx
csChFnd80/11272415532D

 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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    9.4495    3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C21H30O4

>  <MolWeight> (165)
346.4605

>  <Cat> (165)
S4775

>  <Name> (165)
Cortodoxone

>  <Synonyms> (165)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (165)
Glucocorticoid Receptor

>  <Form> (165)
free base

>  <CAS> (165)
152-58-9

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

$$$$
S4990 TBHQ.cdx
csChFnd80/11272415532D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    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
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  7 10  2  0  0  0  0
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C10H14O2

>  <MolWeight> (166)
166.21696

>  <Cat> (166)
S4990

>  <Name> (166)
TBHQ

>  <Synonyms> (166)
Tert-butylhydroquinone

>  <Target> (166)
Nrf2

>  <Form> (166)
free base

>  <CAS> (166)
1948-33-0

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

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/11272415532D

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 29  4  1  0  0  0  0
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 14  6  1  0  0  0  0
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 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
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 35 22  1  0  0  0  0
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 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
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 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C32H40O8

>  <MolWeight> (167)
552.6552

>  <Cat> (167)
S3832

>  <Name> (167)
Euphorbiasteroid

>  <Synonyms> (167)
Euphorbia factor L1

>  <Target> (167)
AMPK

>  <Form> (167)
free base

>  <CAS> (167)
28649-59-4

>  <URL> (167)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/11272415532D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0148    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2756    2.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    4.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9077    1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3785    4.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4282    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8344    3.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1323    3.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5048    3.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732    3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4302    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164    4.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8027    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9539    4.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7281    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9085    6.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   11.0407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9465   11.0407    0.0000 Cl  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
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 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
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  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
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C25H36Cl2N2O3

>  <MolWeight> (168)
483.47094

>  <Cat> (168)
S5020

>  <Name> (168)
Tilorone dihydrochloride

>  <Synonyms> (168)
N/A

>  <Target> (168)
Antiviral,IFN

>  <Form> (168)
dihydrochloride

>  <CAS> (168)
27591-69-1

>  <URL> (168)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
GW 5074.cdx
csChFnd80/11272415532D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    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
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5624    5.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4992    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    5.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001    2.3634    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    7.0990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  4  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C15H8Br2INO2

>  <MolWeight> (169)
520.94199

>  <Cat> (169)
S2872

>  <Name> (169)
GW5074

>  <Synonyms> (169)
N/A

>  <Target> (169)
Apoptosis related,Raf

>  <Form> (169)
free base

>  <CAS> (169)
220904-83-6

>  <URL> (169)
http://selleckchem.com/products/gw5074.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/11272415532D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    6.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8613    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7749    0.0000    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
  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 11  2  0  0  0  0
  9 13  1  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
 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C21H18O12

>  <MolWeight> (170)
462.36042

>  <Cat> (170)
S3810

>  <Name> (170)
Scutellarin

>  <Synonyms> (170)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (170)
Akt,NF-¦ÊB,STAT

>  <Form> (170)
free base

>  <CAS> (170)
27740-01-8

>  <URL> (170)
http://selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/11272415532D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.8990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8114    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3865    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2990    5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.9990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    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
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 11 12  1  0  0  0  0
  8 11  1  0  0  0  0
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C21H46NO4P

>  <MolWeight> (171)
407.568001

>  <Cat> (171)
S3056

>  <Name> (171)
Miltefosine

>  <Synonyms> (171)
Hexadecylphosphocholine

>  <Target> (171)
Akt

>  <Form> (171)
free base

>  <CAS> (171)
58066-85-6

>  <URL> (171)
http://selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
Tenovin-1.cdx
csChFnd80/11272415532D

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380315-80-0

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c-Kit,c-RET,CSF-1R,PDGFR,Raf

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1188910-76-0

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http://selleckchem.com/products/cep-32496.html

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1143532-39-1

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HCl

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>  <URL> (175)
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>  <Mol_ID> (176)
176

>  <Formula> (176)
C23H27ClO7

>  <MolWeight> (176)
450.90928

>  <Cat> (176)
S8022

>  <Name> (176)
Empagliflozin (BI 10773)

>  <Synonyms> (176)
N/A

>  <Target> (176)
SGLT

>  <Form> (176)
free base

>  <CAS> (176)
864070-44-0

>  <URL> (176)
http://selleckchem.com/products/empagliflozin-bi10773.html

$$$$
GDC-0349.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (177)
177

>  <Formula> (177)
C24H32N6O3

>  <MolWeight> (177)
452.54928

>  <Cat> (177)
S8040

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GDC-0349

>  <Synonyms> (177)
RG-7603

>  <Target> (177)
mTOR

>  <Form> (177)
free base

>  <CAS> (177)
1207360-89-1

>  <URL> (177)
http://selleckchem.com/products/gdc-0349.html

$$$$
S1037.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (178)
178

>  <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
csChFnd80/11272415532D

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>  <Mol_ID> (179)
179

>  <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

$$$$
Ketoconazole.cdx
csChFnd80/11272415532D

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   13.1484    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3566    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 23 24  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 24  1  0  0  0  0
 20 23  1  1  0  0  0
 20 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 34 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C26H28Cl2N4O4

>  <MolWeight> (180)
531.43092

>  <Cat> (180)
S1353

>  <Name> (180)
Ketoconazole (R 41400)

>  <Synonyms> (180)
R 41400

>  <Target> (180)
Androgen Receptor,Fungal,P450 (e.g. CYP17)

>  <Form> (180)
free base

>  <CAS> (180)
65277-42-1

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

$$$$
bms-707035.cdx
csChFnd80/11272415532D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4904    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2779    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.5700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C18H11N3O2S

>  <MolWeight> (181)
333.36384

>  <Cat> (181)
S1360

>  <Name> (181)
GSK1059615

>  <Synonyms> (181)
N/A

>  <Target> (181)
mTOR,PI3K

>  <Form> (181)
Free Base

>  <CAS> (181)
958852-01-2

>  <URL> (181)
http://selleckchem.com/products/GSK1059615.html

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/11272415532D

 32 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4345    7.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693    7.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    9.5749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    2.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9704    2.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
 12 20  1  1  0  0  0
 14 21  1  6  0  0  0
 10 21  1  6  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 29  1  1  0  0  0
 28 30  2  0  0  0  0
  9 31  1  1  0  0  0
 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C24H30O6

>  <MolWeight> (182)
414.4914

>  <Cat> (182)
S1707

>  <Name> (182)
Eplerenone (CGP 30083)

>  <Synonyms> (182)
CGP 30083, SC-66110

>  <Target> (182)
Mineralocorticoid Receptor

>  <Form> (182)
free base

>  <CAS> (182)
107724-20-9

>  <URL> (182)
http://selleckchem.com/products/Eplerenone(Inspra).html

$$$$
(-)-Huperzine A.cdx
csChFnd80/11272415532D

 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> (183)
183

>  <Formula> (183)
C15H18N2O

>  <MolWeight> (183)
242.31622

>  <Cat> (183)
S2251

>  <Name> (183)
(-)-Huperzine A (HupA)

>  <Synonyms> (183)
N/A

>  <Target> (183)
AChR,GluR

>  <Form> (183)
Free Base

>  <CAS> (183)
102518-79-6

>  <URL> (183)
http://selleckchem.com/products/(-)-Huperzine-A.html

$$$$
ly404039.cdx
csChFnd80/11272415532D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.3124    3.5473    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3124    2.1473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6439    1.7146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4668    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    3.9799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2816    5.3322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6339    4.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    0.3146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9962    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9862    2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    0.7473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4000    4.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101    1.8573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  6  0  0  0
  3  9  1  1  0  0  0
  2 12  1  1  0  0  0
  1 13  1  1  0  0  0
  1 14  1  0  0  0  0
 14  2  1  0  0  0  0
 14 15  1  1  0  0  0
 14 18  1  6  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C7H9NO6S

>  <MolWeight> (184)
235.21446

>  <Cat> (184)
S6001

>  <Name> (184)
pomaglumetad (LY404039)

>  <Synonyms> (184)
N/A

>  <Target> (184)
GluR

>  <Form> (184)
Free Base

>  <CAS> (184)
635318-11-5

>  <URL> (184)
http://selleckchem.com/products/LY2140023(LY404039).html

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/11272415532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  2  0  0  0  0
  6  9  2  0  0  0  0
  5 10  1  1  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C5H10N2O3

>  <MolWeight> (185)
146.1445

>  <Cat> (185)
S1749

>  <Name> (185)
L-Glutamine

>  <Synonyms> (185)
N/A

>  <Target> (185)
Others

>  <Form> (185)
free base

>  <CAS> (185)
56-85-9

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

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/11272415532D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C8H9ClN4

>  <MolWeight> (186)
196.63686

>  <Cat> (186)
S2562

>  <Name> (186)
Hydralazine HCl

>  <Synonyms> (186)
N/A

>  <Target> (186)
Potassium Channel

>  <Form> (186)
Hydrochloride

>  <CAS> (186)
304-20-1

>  <URL> (186)
http://selleckchem.com/products/Hydralazine-hydrochloride.html

$$$$
PK-1587.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C32H41N9O4

>  <MolWeight> (187)
615.72584

>  <Cat> (187)
S2628

>  <Name> (187)
Gedatolisib (PKI-587)

>  <Synonyms> (187)
PF-05212384

>  <Target> (187)
mTOR,PI3K

>  <Form> (187)
Free Base

>  <CAS> (187)
1197160-78-3

>  <URL> (187)
http://selleckchem.com/products/pki587.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C25H19NO3S

>  <MolWeight> (188)
413.48826

>  <Cat> (188)
S2638

>  <Name> (188)
NU7441 (KU-57788)

>  <Synonyms> (188)
N/A

>  <Target> (188)
CRISPR/Cas9,DNA-PK,mTOR,PI3K

>  <Form> (188)
free base

>  <CAS> (188)
503468-95-9

>  <URL> (188)
http://selleckchem.com/products/nu7441.html

$$$$
SC79.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (189)
189

>  <Formula> (189)
C17H17ClN2O5

>  <MolWeight> (189)
364.78028

>  <Cat> (189)
S7863

>  <Name> (189)
SC79

>  <Synonyms> (189)
N/A

>  <Target> (189)
Akt

>  <Form> (189)
free base

>  <CAS> (189)
305834-79-1

>  <URL> (189)
http://selleckchem.com/products/sc79.html

$$$$
BI-847325.cdx
csChFnd80/11272415532D

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>  <Formula> (190)
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>  <Synonyms> (190)
N/A

>  <Target> (190)
Aurora Kinase,MEK

>  <Form> (190)
free base

>  <CAS> (190)
1207293-36-4

>  <URL> (190)
http://selleckchem.com/products/bi-847325.html

$$$$
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csChFnd80/11272415532D

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>  <Mol_ID> (191)
191

>  <Formula> (191)
C8H6N2S3

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S7864

>  <Name> (191)
Oltipraz

>  <Synonyms> (191)
N/A

>  <Target> (191)
Nrf2

>  <Form> (191)
free base

>  <CAS> (191)
64224-21-1

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

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/11272415532D

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>  <Mol_ID> (192)
192

>  <Formula> (192)
C26H44NNaO6S

>  <MolWeight> (192)
521.68543

>  <Cat> (192)
S7896

>  <Name> (192)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (192)
N/A

>  <Target> (192)
Anti-infection

>  <Form> (192)
sodium salt

>  <CAS> (192)
35807-85-3

>  <URL> (192)
http://selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
ONC201.cdx
csChFnd80/11272415532D

 29 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (193)
193

>  <Formula> (193)
C24H26N4O

>  <MolWeight> (193)
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>  <Cat> (193)
S7963

>  <Name> (193)
TIC10 (ONC201)

>  <Synonyms> (193)
ONC201

>  <Target> (193)
Akt,Apoptosis related,ERK,TNF-alpha

>  <Form> (193)
free base

>  <CAS> (193)
1616632-77-9

>  <URL> (193)
http://selleckchem.com/products/tic-10.html

$$$$
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csChFnd80/11272415532D

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M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C34H29N7O

>  <MolWeight> (194)
551.64036

>  <Cat> (194)
S7776

>  <Name> (194)
Akti-1/2

>  <Synonyms> (194)
Akt Inhibitor VIII

>  <Target> (194)
Akt,Apoptosis related

>  <Form> (194)
free base

>  <CAS> (194)
612847-09-3

>  <URL> (194)
http://selleckchem.com/products/akti-1-2.html

$$$$
SirReal2.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C22H20N4OS2

>  <MolWeight> (195)
420.5504

>  <Cat> (195)
S7845

>  <Name> (195)
SirReal2

>  <Synonyms> (195)
N/A

>  <Target> (195)
Sirtuin

>  <Form> (195)
free base

>  <CAS> (195)
709002-46-0

>  <URL> (195)
http://selleckchem.com/products/sirreal2.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C21H25ClN2O2

>  <MolWeight> (196)
372.8884

>  <Cat> (196)
S8483

>  <Name> (196)
CBL0137 HCl

>  <Synonyms> (196)
CBLC137 HCl, Curaxin 137 HCl

>  <Target> (196)
NF-¦ÊB,p53

>  <Form> (196)
HCl

>  <CAS> (196)
1197397-89-9

>  <URL> (196)
http://selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3752 isoleucine.cdx
csChFnd80/11272415532D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C6H13NO2

>  <MolWeight> (197)
131.17292

>  <Cat> (197)
S3752

>  <Name> (197)
isoleucine

>  <Synonyms> (197)
Ile

>  <Target> (197)
Others

>  <Form> (197)
free base

>  <CAS> (197)
73-32-5

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

$$$$
S3753 L-Leucine.cdx
csChFnd80/11272415532D

  9  8  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C6H13NO2

>  <MolWeight> (198)
131.17292

>  <Cat> (198)
S3753

>  <Name> (198)
L-Leucine

>  <Synonyms> (198)
(S)-Leucine, Leu

>  <Target> (198)
mTOR

>  <Form> (198)
free base

>  <CAS> (198)
61-90-5

>  <URL> (198)
http://selleckchem.com/products/l-leucine.html

$$$$
S3963 DL-Glutamine.cdx
csChFnd80/11272415532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.0618    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C5H10N2O3

>  <MolWeight> (199)
146.1445

>  <Cat> (199)
S3963

>  <Name> (199)
DL-Glutamine

>  <Synonyms> (199)
Glutamin, 2-amino-4-carbamoylbutanoic acid

>  <Target> (199)
Others

>  <Form> (199)
free base

>  <CAS> (199)
6899-04-3

>  <URL> (199)
http://selleckchem.com/products/dl-glutamine.html

$$$$
14028-44-5.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (200)
200

>  <Formula> (200)
C17H16ClN3O

>  <MolWeight> (200)
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>  <Cat> (200)
S4218

>  <Name> (200)
Amoxapine

>  <Synonyms> (200)
CL 67772,Asendin

>  <Target> (200)
Amino acid transporter,GlyT

>  <Form> (200)
free base

>  <CAS> (200)
14028-44-5

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

$$$$
NSC319726.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (201)
201

>  <Formula> (201)
C11H14N4S

>  <MolWeight> (201)
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S7149

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NSC 319726

>  <Synonyms> (201)
N/A

>  <Target> (201)
p53

>  <Form> (201)
free base

>  <CAS> (201)
71555-25-4

>  <URL> (201)
http://selleckchem.com/products/nsc319726.html

$$$$
TIC10.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C24H26N4O

>  <MolWeight> (202)
386.48944

>  <Cat> (202)
S7127

>  <Name> (202)
TIC10 Analogue

>  <Target> (202)
Akt

>  <Form> (202)
free base

>  <CAS> (202)
41276-02-2

>  <URL> (202)
http://selleckchem.com/products/tic10.html

$$$$
ZM39923 HCl.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (203)
203

>  <Formula> (203)
C23H26ClNO

>  <MolWeight> (203)
367.91164

>  <Cat> (203)
S8004

>  <Name> (203)
ZM 39923 HCl

>  <Synonyms> (203)
N/A

>  <Target> (203)
JAK

>  <Form> (203)
HCl

>  <CAS> (203)
1021868-92-7

>  <URL> (203)
http://selleckchem.com/products/zm-39923-hcl.html

$$$$
ETP-46464.cdx
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>  <Mol_ID> (204)
204

>  <Formula> (204)
C30H22N4O2

>  <MolWeight> (204)
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>  <Cat> (204)
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>  <Name> (204)
ETP-46464

>  <Synonyms> (204)
N/A

>  <Target> (204)
ATM/ATR,mTOR

>  <Form> (204)
free base

>  <CAS> (204)
1345675-02-6

>  <URL> (204)
http://selleckchem.com/products/etp-46464.html

$$$$
XL388.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C23H22FN3O4S

>  <MolWeight> (205)
455.5018832

>  <Cat> (205)
S7035

>  <Name> (205)
XL388

>  <Synonyms> (205)
N/A

>  <Target> (205)
mTOR

>  <Form> (205)
free base

>  <CAS> (205)
1251156-08-7

>  <URL> (205)
http://selleckchem.com/products/xl388.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/11272415532D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.2024    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C24H27Cl2N5O

>  <MolWeight> (206)
472.41008

>  <Cat> (206)
S7306

>  <Name> (206)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (206)
BML-275 2HCl,Compound C 2HCl

>  <Target> (206)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (206)
Dihydrochloride

>  <CAS> (206)
1219168-18-9

>  <URL> (206)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/11272415532D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C25H30N6O

>  <MolWeight> (207)
430.5453

>  <Cat> (207)
S7319

>  <Name> (207)
EHop-016

>  <Synonyms> (207)
N/A

>  <Target> (207)
Rho

>  <Form> (207)
free base

>  <CAS> (207)
1380432-32-5

>  <URL> (207)
http://selleckchem.com/products/ehop-016.html

$$$$
TAK-632.cdx
csChFnd80/11272415532D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C27H18F4N4O3S

>  <MolWeight> (208)
554.5154328

>  <Cat> (208)
S7291

>  <Name> (208)
TAK-632

>  <Synonyms> (208)
N/A

>  <Target> (208)
Raf

>  <Form> (208)
free base

>  <CAS> (208)
1228591-30-7

>  <URL> (208)
http://selleckchem.com/products/tak-632.html

$$$$
ZCL 278.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (209)
209

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C21H19BrClN5O4S2

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584.89366

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S7293

>  <Name> (209)
ZCL278

>  <Synonyms> (209)
N/A

>  <Target> (209)
Rho

>  <Form> (209)
free base

>  <CAS> (209)
587841-73-4

>  <URL> (209)
http://selleckchem.com/products/zcl278.html

$$$$
Sorafenib.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (210)
210

>  <Formula> (210)
C21H16ClF3N4O3

>  <MolWeight> (210)
464.8249496

>  <Cat> (210)
S7397

>  <Name> (210)
Sorafenib (BAY 43-9006)

>  <Synonyms> (210)
NSC-724772,BAY 43-9006

>  <Target> (210)
Apoptosis related,Autophagy,Ferroptosis,FLT3,PDGFR,Raf,VEGFR

>  <Form> (210)
Free Base

>  <CAS> (210)
284461-73-0

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

$$$$
WZ4003.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (211)
211

>  <Formula> (211)
C25H29ClN6O3

>  <MolWeight> (211)
496.98916

>  <Cat> (211)
S7317

>  <Name> (211)
WZ4003

>  <Synonyms> (211)
N/A

>  <Target> (211)
AMPK

>  <Form> (211)
free base

>  <CAS> (211)
1214265-58-3

>  <URL> (211)
http://selleckchem.com/products/wz4003.html

$$$$
LM-3162.cdx
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>  <Mol_ID> (212)
212

>  <Formula> (212)
C18H12Cl2N4O4S

>  <MolWeight> (212)
451.28328

>  <Cat> (212)
S7369

>  <Name> (212)
4EGI-1

>  <Synonyms> (212)
N/A

>  <Target> (212)
Apoptosis related,eIF,mTOR

>  <Form> (212)
free base

>  <CAS> (212)
315706-13-9

>  <URL> (212)
http://selleckchem.com/products/4egi-1.html

$$$$
LM-3037 AGI-6780.cdx
csChFnd80/11272415532D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.1876    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5326    9.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000   10.3668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    9.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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  3 12  1  0  0  0  0
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 12 27  2  0  0  0  0
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 30 31  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C21H18F3N3O3S2

>  <MolWeight> (213)
481.5111296

>  <Cat> (213)
S7241

>  <Name> (213)
AGI-6780

>  <Synonyms> (213)
N/A

>  <Target> (213)
Dehydrogenase

>  <Form> (213)
free base

>  <CAS> (213)
1432660-47-3

>  <URL> (213)
http://selleckchem.com/products/agi-6780.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/11272415532D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  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
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  7  1  0  0  0  0
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 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
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M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C17H22Cl2N2O3S

>  <MolWeight> (214)
405.33918

>  <Cat> (214)
S7333

>  <Name> (214)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (214)
N/A

>  <Target> (214)
Ras

>  <Form> (214)
free base

>  <CAS> (214)
2060530-16-5

>  <URL> (214)
http://selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/11272415532D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    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
    3.6373    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
    0.0000    2.1000    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
    3.6373    0.0000    0.0000 O   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
    7.2746    2.1000    0.0000 C   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
    7.2746    3.5000    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  6  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
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C6H9NO5

>  <MolWeight> (215)
175.13936

>  <Cat> (215)
S7483

>  <Name> (215)
DMOG

>  <Synonyms> (215)
Dimethyloxalylglycine

>  <Target> (215)
Autophagy,HIF,Hydroxylase

>  <Form> (215)
free base

>  <CAS> (215)
89464-63-1

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

$$$$
GNE-0877.cdx
csChFnd80/11272415532D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.1277    9.3449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3401    7.2449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7826    5.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.6906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6152    3.6906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3923    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  3  0  0  0  0
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 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C14H16F3N7

>  <MolWeight> (216)
339.3189496

>  <Cat> (216)
S7367

>  <Name> (216)
GNE-0877

>  <Synonyms> (216)
DNL201

>  <Target> (216)
LRRK2

>  <Form> (216)
free base

>  <CAS> (216)
1374828-69-9

>  <URL> (216)
http://selleckchem.com/products/gne-0877.html

$$$$
EHT 1864.cdx
csChFnd80/11272415532D

 37 38  0  0  0  0  0  0  0  0999 V2000
   21.7710    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7689    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9815    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1940    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.9815    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (217)
217

>  <Formula> (217)
C25H29Cl2F3N2O4S

>  <MolWeight> (217)
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>  <Cat> (217)
S7482

>  <Name> (217)
EHT 1864 2HCl

>  <Synonyms> (217)
N/A

>  <Target> (217)
Rho

>  <Form> (217)
dihydrochloride

>  <CAS> (217)
754240-09-0

>  <URL> (217)
http://selleckchem.com/products/eht-1864.html

$$$$
XMD8-92.cdx
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>  <Mol_ID> (218)
218

>  <Formula> (218)
C26H30N6O3

>  <MolWeight> (218)
474.5548

>  <Cat> (218)
S7525

>  <Name> (218)
XMD8-92

>  <Synonyms> (218)
N/A

>  <Target> (218)
Epigenetic Reader Domain,ERK

>  <Form> (218)
free base

>  <CAS> (218)
1234480-50-2

>  <URL> (218)
http://selleckchem.com/products/xmd8-92.html

$$$$
FR 180204.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (219)
219

>  <Formula> (219)
C18H13N7

>  <MolWeight> (219)
327.34272

>  <Cat> (219)
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>  <Name> (219)
FR 180204

>  <Synonyms> (219)
N/A

>  <Target> (219)
ERK

>  <Form> (219)
free base

>  <CAS> (219)
865362-74-9

>  <URL> (219)
http://selleckchem.com/products/fr180204.html

$$$$
GNE7915.cdx
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>  <Mol_ID> (220)
220

>  <Formula> (220)
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>  <MolWeight> (220)
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>  <Cat> (220)
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>  <Name> (220)
GNE-7915

>  <Synonyms> (220)
N/A

>  <Target> (220)
LRRK2

>  <Form> (220)
free base

>  <CAS> (220)
1351761-44-8

>  <URL> (220)
http://selleckchem.com/products/gne-7915.html

$$$$
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  3 16  1  0  0  0  0
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M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C26H26F3N7O2

>  <MolWeight> (221)
525.5255496

>  <Cat> (221)
S7309

>  <Name> (221)
BAY 87-2243

>  <Synonyms> (221)
N/A

>  <Target> (221)
Ferroptosis,HIF,Mitochondrial Metabolism,ROS

>  <Form> (221)
Free Base

>  <CAS> (221)
1227158-85-1

>  <URL> (221)
http://selleckchem.com/products/bay-87-2243.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/11272415532D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.2000    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
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 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
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 22 25  2  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C16H21ClIN3O4S

>  <MolWeight> (222)
513.77811

>  <Cat> (222)
S7332

>  <Name> (222)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (222)
N/A

>  <Target> (222)
Ras

>  <Form> (222)
free base

>  <CAS> (222)
1469337-91-4

>  <URL> (222)
http://selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
Zotarolimus.cdx
csChFnd80/11272415532D

 70 74  0  0  0  0  0  0  0  0999 V2000
    1.6539    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6539    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C52H79N5O12

>  <MolWeight> (223)
966.20996

>  <Cat> (223)
S7091

>  <Name> (223)
Zotarolimus (ABT-578)

>  <Synonyms> (223)
A 179578

>  <Target> (223)
FKBP,mTOR

>  <Form> (223)
free base

>  <CAS> (223)
221877-54-9

>  <URL> (223)
http://selleckchem.com/products/zotarolimus-abt-578.html

$$$$
deltarasin.cdx
csChFnd80/11272415532D

 46 53  0  0  0  0  0  0  0  0999 V2000
   17.0280    2.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C40H37N5O

>  <MolWeight> (224)
603.75468

>  <Cat> (224)
S7224

>  <Name> (224)
Deltarasin

>  <Synonyms> (224)
N/A

>  <Target> (224)
PDE,Ras

>  <Form> (224)
free base

>  <CAS> (224)
1440898-61-2

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

$$$$
6H05.cdx
csChFnd80/11272415532D

 36 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C22H31ClF3N3O4S3

>  <MolWeight> (225)
590.1424496

>  <Cat> (225)
S7330

>  <Name> (225)
6H05

>  <Synonyms> (225)
N/A

>  <Target> (225)
Ras

>  <Form> (225)
free base

>  <CAS> (225)
2061344-88-3

>  <URL> (225)
http://selleckchem.com/products/6h05.html

$$$$
GNE-9605.cdx
csChFnd80/11272415532D

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  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
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 18 14  1  0  0  0  0
 15 19  1  0  0  0  0
 20 16  1  6  0  0  0
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 29 30  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C17H20ClF4N7O

>  <MolWeight> (226)
449.8336128

>  <Cat> (226)
S7368

>  <Name> (226)
GNE-9605

>  <Synonyms> (226)
N/A

>  <Target> (226)
LRRK2

>  <Form> (226)
free base

>  <CAS> (226)
1536200-31-3

>  <URL> (226)
http://selleckchem.com/products/gne-9605.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/11272415532D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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 17 20  1  0  0  0  0
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 21 22  2  0  0  0  0
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M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C15H17ClIN3O3

>  <MolWeight> (227)
449.67125

>  <Cat> (227)
S7331

>  <Name> (227)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (227)
N/A

>  <Target> (227)
Ras

>  <Form> (227)
free base

>  <CAS> (227)
1469337-95-8

>  <URL> (227)
http://selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
AGK 2.cdx
csChFnd80/11272415532D

 30 33  0  0  0  0  0  0  0  0999 V2000
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AGK2

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Sirtuin

>  <Form> (228)
free base

>  <CAS> (228)
304896-28-4

>  <URL> (228)
http://selleckchem.com/products/agk2.html

$$$$
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>  <Mol_ID> (229)
229

>  <Formula> (229)
C17H22N8O

>  <MolWeight> (229)
354.40958

>  <Cat> (229)
S7016

>  <Name> (229)
VS-5584 (SB2343)

>  <Synonyms> (229)
N/A

>  <Target> (229)
PI3K

>  <Form> (229)
free base

>  <CAS> (229)
1246560-33-7

>  <URL> (229)
http://selleckchem.com/products/vs-5584-sb2343.html

$$$$
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csChFnd80/11272415532D

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>  <Mol_ID> (230)
230

>  <Formula> (230)
C25H20N4O3

>  <MolWeight> (230)
424.4513

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S7606

>  <Name> (230)
RBC8

>  <Synonyms> (230)
N/A

>  <Target> (230)
Ras

>  <Form> (230)
free base

>  <CAS> (230)
361185-42-4

>  <URL> (230)
http://selleckchem.com/products/rbc8.html

$$$$
ML141.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (231)
231

>  <Formula> (231)
C22H21N3O3S

>  <MolWeight> (231)
407.48544

>  <Cat> (231)
S7686

>  <Name> (231)
ML141

>  <Synonyms> (231)
CID-2950007

>  <Target> (231)
Apoptosis related,p38 MAPK,Rho

>  <Form> (231)
free base

>  <CAS> (231)
71203-35-5

>  <URL> (231)
http://selleckchem.com/products/ml141.html

$$$$
PX-478 2HCl.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C13H20Cl4N2O3

>  <MolWeight> (232)
394.1215

>  <Cat> (232)
S7612

>  <Name> (232)
PX-478 2HCl

>  <Synonyms> (232)
N/A

>  <Target> (232)
Apoptosis related,HIF

>  <Form> (232)
dihydrochloride

>  <CAS> (232)
685898-44-6

>  <URL> (232)
http://selleckchem.com/products/px-478-2hcl.html

$$$$
Piperlongumine.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (233)
233

>  <Formula> (233)
C17H19NO5

>  <MolWeight> (233)
317.33646

>  <Cat> (233)
S7551

>  <Name> (233)
Piperlongumine

>  <Synonyms> (233)
PPLGM, Piplartine

>  <Target> (233)
CRM1,ROS

>  <Form> (233)
free base

>  <CAS> (233)
20069-09-4

>  <URL> (233)
http://selleckchem.com/products/piperlongumine.html

$$$$
AT13148.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C17H16ClN3O

>  <MolWeight> (234)
313.78144

>  <Cat> (234)
S7563

>  <Name> (234)
AT13148

>  <Synonyms> (234)
N/A

>  <Target> (234)
Akt,PKA,ROCK,S6 Kinase

>  <Form> (234)
free base

>  <CAS> (234)
1056901-62-2

>  <URL> (234)
http://selleckchem.com/products/at13148.html

$$$$
GKT137831.cdx
csChFnd80/11272415532D

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 17  1  2  0  0  0  0
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M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C21H19ClN4O2

>  <MolWeight> (235)
394.85416

>  <Cat> (235)
S7171

>  <Name> (235)
Setanaxib (GKT137831)

>  <Synonyms> (235)
GKT831

>  <Target> (235)
Ferroptosis,NADPH-oxidase,ROS

>  <Form> (235)
free base

>  <CAS> (235)
1218942-37-0

>  <URL> (235)
http://selleckchem.com/products/gkt137831.html

$$$$
Salirasib.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C22H30O2S

>  <MolWeight> (236)
358.5374

>  <Cat> (236)
S7684

>  <Name> (236)
Salirasib

>  <Synonyms> (236)
Farnesylthiosalicylic acid, FTS

>  <Target> (236)
Autophagy,PPMTase,Ras

>  <Form> (236)
free base

>  <CAS> (236)
162520-00-5

>  <URL> (236)
http://selleckchem.com/products/salirasib.html

$$$$
CCG-1423.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C18H13ClF6N2O3

>  <MolWeight> (237)
454.7508392

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S7719

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N/A

>  <Target> (241)
Sirtuin

>  <Form> (241)
free base

>  <CAS> (241)
1093403-33-8

>  <URL> (241)
http://selleckchem.com/products/srt2104-gsk2245840.html

$$$$
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242

>  <Formula> (242)
C18H17Cl2FN4OS

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Afuresertib (GSK2110183)

>  <Synonyms> (242)
N/A

>  <Target> (242)
Akt

>  <Form> (242)
free base

>  <CAS> (242)
1047644-62-1

>  <URL> (242)
http://selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
CB-839.cdx
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>  <Mol_ID> (243)
243

>  <Formula> (243)
C26H24F3N7O3S

>  <MolWeight> (243)
571.5740696

>  <Cat> (243)
S7655

>  <Name> (243)
Telaglenastat (CB-839)

>  <Synonyms> (243)
N/A

>  <Target> (243)
Autophagy,Glutaminase

>  <Form> (243)
free base

>  <CAS> (243)
1439399-58-2

>  <URL> (243)
http://selleckchem.com/products/cb-839.html

$$$$
MHY1485.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (244)
244

>  <Formula> (244)
C17H21N7O4

>  <MolWeight> (244)
387.39314

>  <Cat> (244)
S7811

>  <Name> (244)
MHY1485

>  <Synonyms> (244)
N/A

>  <Target> (244)
Autophagy,mTOR

>  <Form> (244)
free base

>  <CAS> (244)
326914-06-1

>  <URL> (244)
http://selleckchem.com/products/mhy1485.html

$$$$
ERK5-IN-1.cdx
csChFnd80/11272415532D

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    7.4193    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3394    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7820    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   11.0566    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  1 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 10 17  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C21H22Cl2N4O2

>  <MolWeight> (249)
433.33098

>  <Cat> (249)
S7854

>  <Name> (249)
Ulixertinib (BVD-523)

>  <Synonyms> (249)
VRT752271

>  <Target> (249)
ERK

>  <Form> (249)
free base

>  <CAS> (249)
869886-67-9

>  <URL> (249)
http://selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
BPTES.cdx
csChFnd80/11272415532D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276    0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520    0.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    2.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1984    2.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228    2.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    2.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472    2.8950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673    3.0140    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8999    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.3586    2.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 10  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 20 21  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 27 30  2  0  0  0  0
 29 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 29  1  0  0  0  0
M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C24H24N6O2S3

>  <MolWeight> (250)
524.68136

>  <Cat> (250)
S7753

>  <Name> (250)
BPTES

>  <Synonyms> (250)
N/A

>  <Target> (250)
Glutaminase

>  <Form> (250)
free base

>  <CAS> (250)
314045-39-1

>  <URL> (250)
http://selleckchem.com/products/bptes.html

$$$$
Dorsomorphin.cdx
csChFnd80/11272415532D

 30 34  0  0  0  0  0  0  0  0999 V2000
    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
    8.4870    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
    9.6995    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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    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   15.9646    8.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5952    8.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1626    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  5 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  1  0  0  0  0
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 18 22  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C24H25N5O

>  <MolWeight> (251)
399.4882

>  <Cat> (251)
S7840

>  <Name> (251)
Dorsomorphin (Compound C)

>  <Synonyms> (251)
BML-275,Compound C

>  <Target> (251)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (251)
Free Base

>  <CAS> (251)
866405-64-3

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

$$$$
KC7F2.cdx
csChFnd80/11272415532D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.2000    0.0000 S   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
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  3  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  2  0  0  0  0
  9 20  2  0  0  0  0
 18 21  1  0  0  0  0
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 24 25  1  0  0  0  0
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 26 21  1  0  0  0  0
 18 27  2  0  0  0  0
 18 28  2  0  0  0  0
 26 29  1  0  0  0  0
 23 30  1  0  0  0  0
M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C16H16Cl4N2O4S4

>  <MolWeight> (252)
570.38124

>  <Cat> (252)
S7946

>  <Name> (252)
KC7F2

>  <Synonyms> (252)
N/A

>  <Target> (252)
HIF

>  <Form> (252)
free base

>  <CAS> (252)
927822-86-4

>  <URL> (252)
http://selleckchem.com/products/kc7f2.html

$$$$

csChFnd80/11272415532D

 33 37  0  0  0  0  0  0  0  0999 V2000
    8.4716    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4584    0.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8831    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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http://selleckchem.com/products/gsk621.html

$$$$
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SGLT

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free base

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1018899-04-1

>  <URL> (257)
http://selleckchem.com/products/sotagliflozin-lx4211.html

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free base

>  <CAS> (258)
1802088-50-1

>  <URL> (258)
http://selleckchem.com/products/nct-501.html

$$$$
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ERK

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896720-20-0

>  <URL> (259)
http://selleckchem.com/products/vx-11e.html

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934493-76-2

>  <URL> (260)
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1627709-94-7

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HIF

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free base

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223387-75-5

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p53

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free base

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803647-40-7

>  <URL> (263)
http://selleckchem.com/products/nsc59984.html

$$$$
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HIF

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free base

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1154028-82-6

>  <URL> (264)
http://selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
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960539-70-2

>  <URL> (265)
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1627710-50-2

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Akt

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free base

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1047634-65-0

>  <URL> (268)
http://selleckchem.com/products/gsk2141795.html

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>  <URL> (269)
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Apoptosis related,p53

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free base

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81624-55-7

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http://selleckchem.com/products/nsc348884.html

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WZB117

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N/A

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GLUT

>  <Form> (271)
free base

>  <CAS> (271)
1223397-11-2

>  <URL> (271)
http://selleckchem.com/products/wzb117.html

$$$$
MLN2480.cdx
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Tovorafenib (MLN2480)

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BIIB-024, TAK580, AMG-2112819, BSK1369, DAY-101

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Raf

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free base

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1096708-71-2

>  <URL> (272)
http://selleckchem.com/products/mln2480.html

$$$$
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Ivosidenib (AG-120)

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Dehydrogenase

>  <Form> (273)
free base

>  <CAS> (273)
1448347-49-6

>  <URL> (273)
http://selleckchem.com/products/ag-120-Ivosidenib.html

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    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 F   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
    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
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    9.6995    6.3000    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
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 O   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
  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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  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  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  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 19 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 27 34  2  0  0  0  0
 27 35  2  0  0  0  0
 27 36  1  0  0  0  0
M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C21H20F7N3O4S

>  <MolWeight> (274)
543.4550224

>  <Cat> (274)
S8219

>  <Name> (274)
Bitopertin

>  <Synonyms> (274)
RG1678, RO-4917838

>  <Target> (274)
Amino acid transporter,GlyT

>  <Form> (274)
free base

>  <CAS> (274)
845614-11-1

>  <URL> (274)
http://selleckchem.com/products/bitopertin-rg1678-ro-4917838.html

$$$$
ETC-1002.cdx
csChFnd80/11272415532D

 24 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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
    9.6995    1.4000    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
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   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C19H36O5

>  <MolWeight> (275)
344.48614

>  <Cat> (275)
S7953

>  <Name> (275)
ETC-1002

>  <Synonyms> (275)
Bempedoic acid, ESP-55016

>  <Target> (275)
AMPK,ATP-citrate lyase,LDL

>  <Form> (275)
free base

>  <CAS> (275)
738606-46-7

>  <URL> (275)
http://selleckchem.com/products/etc-1002.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/11272415532D

 40 44  0  0  0  0  0  0  0  0999 V2000
    4.6406    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7028    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.4023    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.4023    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   21.6147    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6457    0.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  7 13  1  0  0  0  0
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 17 18  2  0  0  0  0
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 30 24  1  0  0  0  0
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 36 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C27H25F3N8O2

>  <MolWeight> (276)
550.5350096

>  <Cat> (276)
S7752

>  <Name> (276)
Pluripotin (SC1)

>  <Synonyms> (276)
N/A

>  <Target> (276)
ERK,S6 Kinase

>  <Form> (276)
free base

>  <CAS> (276)
839707-37-8

>  <URL> (276)
http://selleckchem.com/products/pluripotin-sc1.html

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/11272415532D

 33 35  0  0  0  0  0  0  0  0999 V2000
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    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    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
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C19H17F6N7O

>  <MolWeight> (277)
473.3749992

>  <Cat> (277)
S8205

>  <Name> (277)
Enasidenib (AG-221)

>  <Synonyms> (277)
N/A

>  <Target> (277)
Dehydrogenase

>  <Form> (277)
free base

>  <CAS> (277)
1446502-11-9

>  <URL> (277)
http://selleckchem.com/products/ag-221-enasidenib.html

$$$$
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$$$$
PRIMA-1.cdx
csChFnd80/11272415532D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8647    1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  5  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C9H15NO3

>  <MolWeight> (282)
185.2203

>  <Cat> (282)
S7723

>  <Name> (282)
PRIMA-1

>  <Synonyms> (282)
2,2-Bis(hydroxymethyl)-3-quinuclidinone

>  <Target> (282)
p53

>  <Form> (282)
free base

>  <CAS> (282)
5608-24-2

>  <URL> (282)
http://selleckchem.com/products/prima-1.html

$$$$
S4721 L-Glutamic acid monosodium salt.cdx
csChFnd80/11272415532D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  1  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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   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
    8.4870    2.1000    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
    2.4249    1.4000    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (283)
283

>  <Formula> (283)
C5H8NNaO4

>  <MolWeight> (283)
169.11109

>  <Cat> (283)
S4721

>  <Name> (283)
L-Glutamic acid monosodium salt

>  <Synonyms> (283)
Monosodium glutamate, MSG

>  <Target> (283)
GluR

>  <Form> (283)
sodium salt

>  <CAS> (283)
142-47-2

>  <URL> (283)
http://selleckchem.com/products/l-glutamic-acid-monosodium-salt.html

$$$$
Deguelin.cdx
csChFnd80/11272415532D

 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> (284)
284

>  <Formula> (284)
C23H22O6

>  <MolWeight> (284)
394.41718

>  <Cat> (284)
S8132

>  <Name> (284)
Deguelin

>  <Synonyms> (284)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (284)
Akt,PI3K

>  <Form> (284)
free base

>  <CAS> (284)
522-17-8

>  <URL> (284)
http://selleckchem.com/products/deguelin.html

$$$$
S4702 Sarcosine.cdx
csChFnd80/11272415532D

  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> (285)
285

>  <Formula> (285)
C3H7NO2

>  <MolWeight> (285)
89.09318

>  <Cat> (285)
S4702

>  <Name> (285)
Sarcosine

>  <Synonyms> (285)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (285)
Amino acid transporter,GlyT,NMDAR

>  <Form> (285)
free base

>  <CAS> (285)
107-97-1

>  <URL> (285)
http://selleckchem.com/products/sarcosine.html

$$$$
GGTI 298.cdx
csChFnd80/11272415532D

 41 42  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    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
    6.0622    4.9000    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
    8.4870    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
    4.8497    4.2000    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
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   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
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    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
    2.4249    4.2000    0.0000 C   0  0  2  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
   10.9119    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 N   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
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   14.5492    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7442    1.5670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.9608    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1733    1.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9608    3.6694    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7442    2.9719    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.3857    2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1733    0.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 20 13  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 23  1  6  0  0  0
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 21 25  1  0  0  0  0
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 25 30  1  1  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  0  0  0  0
  9 15  2  0  0  0  0
 12 17  1  0  0  0  0
 19 22  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  2  0  0  0  0
M  END
>  <Mol_ID> (286)
286

>  <Formula> (286)
C29H34F3N3O5S

>  <MolWeight> (286)
593.6575696

>  <Cat> (286)
S7466

>  <Name> (286)
GGTI 298 TFA salt

>  <Synonyms> (286)
N/A

>  <Target> (286)
Transferase

>  <Form> (286)
trifluoroacetat

>  <CAS> (286)
1217457-86-7

>  <URL> (286)
http://selleckchem.com/products/ggti-298.html

$$$$
GDC-0084.cdx
csChFnd80/11272415532D

 28 32  0  0  0  0  0  0  0  0999 V2000
    4.9467    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6152    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6152    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    2.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535    0.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1591    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0089    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0089    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7965    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623    4.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (287)
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>  <Cat> (287)
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>  <Name> (287)
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>  <Synonyms> (287)
RG7666

>  <Target> (287)
mTOR,PI3K

>  <Form> (287)
free base

>  <CAS> (287)
1382979-44-3

>  <URL> (287)
http://selleckchem.com/products/gdc-0084.html

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>  <Mol_ID> (288)
288

>  <Formula> (288)
C16H16N8O

>  <MolWeight> (288)
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>  <Cat> (288)
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>  <Synonyms> (288)
N/A

>  <Target> (288)
DNA-PK,mTOR

>  <Form> (288)
free base

>  <CAS> (288)
1228013-15-7

>  <URL> (288)
http://selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/11272415532D

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289

>  <Formula> (289)
C22H29N5O4S

>  <MolWeight> (289)
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>  <Cat> (289)
S8298

>  <Name> (289)
CZ415

>  <Synonyms> (289)
N/A

>  <Target> (289)
mTOR

>  <Form> (289)
free base

>  <CAS> (289)
1429639-50-8

>  <URL> (289)
http://selleckchem.com/products/cz415.html

$$$$
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csChFnd80/11272415532D

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290

>  <Formula> (290)
C10H17NO3

>  <MolWeight> (290)
199.24688

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S7724

>  <Name> (290)
Eprenetapopt (APR-246)

>  <Synonyms> (290)
PRIMA-1MET

>  <Target> (290)
Apoptosis related,Autophagy,p53

>  <Form> (290)
free base

>  <CAS> (290)
5291-32-7

>  <URL> (290)
http://selleckchem.com/products/apr-246-prima-1met.html

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STO-609.cdx
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>  <Formula> (291)
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>  <MolWeight> (291)
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STO-609

>  <Synonyms> (291)
N/A

>  <Target> (291)
AMPK,Autophagy,CaMK

>  <Form> (291)
free base

>  <CAS> (291)
52029-86-4

>  <URL> (291)
http://selleckchem.com/products/sto-609.html

$$$$
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csChFnd80/11272415532D

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>  <Mol_ID> (292)
292

>  <Formula> (292)
C27H24N4O2S

>  <MolWeight> (292)
468.57006

>  <Cat> (292)
S8270

>  <Name> (292)
SRT2183

>  <Synonyms> (292)
N/A

>  <Target> (292)
Sirtuin

>  <Form> (292)
free base

>  <CAS> (292)
1001908-89-9

>  <URL> (292)
http://selleckchem.com/products/srt2183.html

$$$$
ARQ 092.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C27H25ClN6

>  <MolWeight> (293)
468.9806

>  <Cat> (293)
S8339

>  <Name> (293)
Miransertib (ARQ 092) HCl

>  <Synonyms> (293)
Miransertib

>  <Target> (293)
Akt

>  <Form> (293)
hydrochloride

>  <CAS> (293)
1313883-00-9

>  <URL> (293)
http://selleckchem.com/products/arq-092.html

$$$$
S7743-CCT196969.cdx
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>  <Mol_ID> (294)
294

>  <Formula> (294)
C27H24FN7O3

>  <MolWeight> (294)
513.5229632

>  <Cat> (294)
S7743

>  <Name> (294)
CCT196969

>  <Synonyms> (294)
N/A

>  <Target> (294)
Raf,Src

>  <Form> (294)
free base

>  <CAS> (294)
1163719-56-9

>  <URL> (294)
http://selleckchem.com/products/cct196969.html

$$$$
Thiomyristoyl.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (295)
295

>  <Formula> (295)
C34H51N3O3S

>  <MolWeight> (295)
581.85204

>  <Cat> (295)
S8245

>  <Name> (295)
Thiomyristoyl

>  <Synonyms> (295)
TM

>  <Target> (295)
Sirtuin

>  <Form> (295)
free base

>  <CAS> (295)
1429749-41-6

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

$$$$
Salermide.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (296)
296

>  <Formula> (296)
C26H22N2O2

>  <MolWeight> (296)
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>  <Cat> (296)
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>  <Name> (296)
Salermide

>  <Synonyms> (296)
N/A

>  <Target> (296)
Sirtuin

>  <Form> (296)
free base

>  <CAS> (296)
1105698-15-4

>  <URL> (296)
http://selleckchem.com/products/salermide.html

$$$$
YC-1.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (297)
297

>  <Formula> (297)
C19H16N2O2

>  <MolWeight> (297)
304.34254

>  <Cat> (297)
S7958

>  <Name> (297)
Lificiguat (YC-1)

>  <Synonyms> (297)
N/A

>  <Target> (297)
Guanylate Cyclase,HIF

>  <Form> (297)
free base

>  <CAS> (297)
170632-47-0

>  <URL> (297)
http://selleckchem.com/products/lificiguat-yc-1.html

$$$$
MK-8617.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (298)
298

>  <Formula> (298)
C24H21N5O4

>  <MolWeight> (298)
443.45464

>  <Cat> (298)
S8443

>  <Name> (298)
MK-8617

>  <Synonyms> (298)
N/A

>  <Target> (298)
HIF

>  <Form> (298)
free base

>  <CAS> (298)
1187990-87-9

>  <URL> (298)
http://selleckchem.com/products/mk-8617.html

$$$$
10074-G5.cdx
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>  <Mol_ID> (299)
299

>  <Formula> (299)
C18H12N4O3

>  <MolWeight> (299)
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>  <Cat> (299)
S8426

>  <Name> (299)
10074-G5

>  <Synonyms> (299)
N/A

>  <Target> (299)
Myc

>  <Form> (299)
free base

>  <CAS> (299)
413611-93-5

>  <URL> (299)
http://selleckchem.com/products/10074-g5.html

$$$$
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>  <Mol_ID> (300)
300

>  <Formula> (300)
C31H32ClN5O2S2

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>  <Cat> (300)
S8481

>  <Name> (300)
SRT3025 HCl

>  <Synonyms> (300)
N/A

>  <Target> (300)
Sirtuin

>  <Form> (300)
hydrochloride

>  <CAS> (300)
2070015-26-6

>  <URL> (300)
http://selleckchem.com/products/srt3025.html

$$$$
BAY-876.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (301)
301

>  <Formula> (301)
C24H16F4N6O2

>  <MolWeight> (301)
496.4164528

>  <Cat> (301)
S8452

>  <Name> (301)
BAY-876

>  <Synonyms> (301)
N/A

>  <Target> (301)
GLUT

>  <Form> (301)
free base

>  <CAS> (301)
1799753-84-6

>  <URL> (301)
http://selleckchem.com/products/bay-876.html

$$$$
ARS-853.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (302)
302

>  <Formula> (302)
C22H29ClN4O3

>  <MolWeight> (302)
432.94366

>  <Cat> (302)
S8156

>  <Name> (302)
ARS-853 (ARS853)

>  <Synonyms> (302)
N/A

>  <Target> (302)
Apoptosis related,Ras

>  <Form> (302)
free base

>  <CAS> (302)
1629268-00-3

>  <URL> (302)
http://selleckchem.com/products/ars-853.html

$$$$
AD80.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C22H19F4N7O

>  <MolWeight> (303)
473.4261728

>  <Cat> (303)
S8518

>  <Name> (303)
AD80

>  <Synonyms> (303)
N/A

>  <Target> (303)
c-RET,S6 Kinase,Src

>  <Form> (303)
free base

>  <CAS> (303)
1384071-99-1

>  <URL> (303)
http://selleckchem.com/products/ad80.html

$$$$
3BDO.cdx
csChFnd80/11272415532D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (304)
304

>  <Formula> (304)
C18H17NO5

>  <MolWeight> (304)
327.33128

>  <Cat> (304)
S8317

>  <Name> (304)
3BDO

>  <Synonyms> (304)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (304)
Apoptosis related,Autophagy,FKBP,mTOR

>  <Form> (304)
free base

>  <CAS> (304)
890405-51-3

>  <URL> (304)
http://selleckchem.com/products/3bdo.html

$$$$
SF2523.cdx
csChFnd80/11272415532D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
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M  END
>  <Mol_ID> (305)
305

>  <Formula> (305)
C19H17NO5S

>  <MolWeight> (305)
371.40698

>  <Cat> (305)
S8589

>  <Name> (305)
SF2523

>  <Synonyms> (305)
N/A

>  <Target> (305)
DNA-PK,Epigenetic Reader Domain,mTOR,PI3K

>  <Form> (305)
free base

>  <CAS> (305)
1174428-47-7

>  <URL> (305)
http://selleckchem.com/products/sf2523.html

$$$$
Tofogliflozin(CSG 452).cdx
csChFnd80/11272415532D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.9355    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C22H28O7

>  <MolWeight> (306)
404.45352

>  <Cat> (306)
S8558

>  <Name> (306)
Tofogliflozin(CSG 452)

>  <Synonyms> (306)
N/A

>  <Target> (306)
SGLT

>  <Form> (306)
hydrate

>  <CAS> (306)
1201913-82-7

>  <URL> (306)
http://selleckchem.com/products/tofogliflozin-csg-452.html

$$$$
LW 6.cdx
csChFnd80/11272415532D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.9683    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C26H29NO5

>  <MolWeight> (307)
435.51216

>  <Cat> (307)
S8441

>  <Name> (307)
LW 6

>  <Synonyms> (307)
CAY10585, AC1-001

>  <Target> (307)
HIF

>  <Form> (307)
free base

>  <CAS> (307)
934593-90-5

>  <URL> (307)
http://selleckchem.com/products/lw-6.html

$$$$
AG-881.cdx
csChFnd80/11272415532D

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Dehydrogenase

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free base

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1644545-52-7

>  <URL> (308)
http://selleckchem.com/products/ag-881.html

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N/A

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SGLT

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free base

>  <CAS> (309)
761423-87-4

>  <URL> (309)
http://selleckchem.com/products/ipragliflozin-asp-1941.html

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

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Sirtuin

>  <Form> (310)
free base

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120241-79-4

>  <URL> (310)
http://selleckchem.com/products/3-typ.html

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ERK

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free base

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AMPK

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1467057-23-3

>  <URL> (312)
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M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C23H21ClN2O3

>  <MolWeight> (313)
408.87744

>  <Cat> (313)
S8469

>  <Name> (313)
CCG-203971

>  <Synonyms> (313)
N/A

>  <Target> (313)
Rho

>  <Form> (313)
free base

>  <CAS> (313)
1443437-74-8

>  <URL> (313)
http://selleckchem.com/products/ccg-203971.html

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/11272415532D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.9260    1.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C12H8ClI

>  <MolWeight> (314)
314.54939

>  <Cat> (314)
S8639

>  <Name> (314)
Diphenyleneiodonium chloride (DPI)

>  <Synonyms> (314)
N/A

>  <Target> (314)
NADPH-oxidase,NOS,ROS,TRP Channel

>  <Form> (314)
chloride

>  <CAS> (314)
4673-26-1

>  <URL> (314)
http://selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

$$$$
COTI-2.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C19H22N6S

>  <MolWeight> (315)
366.48318

>  <Cat> (315)
S8580

>  <Name> (315)
COTI-2

>  <Synonyms> (315)
N/A

>  <Target> (315)
p53

>  <Form> (315)
free base

>  <CAS> (315)
1039455-84-9

>  <URL> (315)
http://selleckchem.com/products/coti-2.html

$$$$
OSS_128167.cdx
csChFnd80/11272415532D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C19H14N2O6

>  <MolWeight> (316)
366.32426

>  <Cat> (316)
S8627

>  <Name> (316)
OSS_128167

>  <Synonyms> (316)
SIRT6-IN-1

>  <Target> (316)
HBV,Sirtuin

>  <Form> (316)
free base

>  <CAS> (316)
887686-02-4

>  <URL> (316)
http://selleckchem.com/products/oss-128167.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/11272415532D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C21H17ClF4N4O4

>  <MolWeight> (317)
500.8306928

>  <Cat> (317)
S5077

>  <Name> (317)
Regorafenib (BAY-734506) Monohydrate

>  <Synonyms> (317)
Fluoro-sorafenib, Resihance, Stivarga, regorafaenib monohydrate

>  <Target> (317)
c-Kit,c-RET,PDGFR,Raf,VEGFR

>  <Form> (317)
monohydrate

>  <CAS> (317)
1019206-88-2

>  <URL> (317)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/11272415532D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C14H11NOS

>  <MolWeight> (318)
241.30824

>  <Cat> (318)
S5304

>  <Name> (318)
2-Acetylphenothiazine (ML171)

>  <Synonyms> (318)
2-APT

>  <Target> (318)
NADPH-oxidase

>  <Form> (318)
free base

>  <CAS> (318)
6631-94-3

>  <URL> (318)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

$$$$
RAF709.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C28H29F3N4O4

>  <MolWeight> (319)
542.5494696

>  <Cat> (319)
S8690

>  <Name> (319)
RAF709

>  <Synonyms> (319)
N/A

>  <Target> (319)
Raf

>  <Form> (319)
free base

>  <CAS> (319)
1628838-42-5

>  <URL> (319)
http://selleckchem.com/products/raf709.html

$$$$
S5222 Coluracetam.cdx
csChFnd80/11272415532D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C19H23N3O3

>  <MolWeight> (320)
341.40422

>  <Cat> (320)
S5222

>  <Name> (320)
Coluracetam

>  <Synonyms> (320)
MKC-231, BCI-540

>  <Target> (320)
GluR

>  <Form> (320)
free base

>  <CAS> (320)
135463-81-9

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

$$$$
S5037 Phenazine methosulfate.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C14H14N2O4S

>  <MolWeight> (321)
306.33696

>  <Cat> (321)
S5037

>  <Name> (321)
Phenazine methosulfate

>  <Synonyms> (321)
N-Methylphenazonium methosulfate, 5-Methylphenazinium methyl sulfate

>  <Target> (321)
Others

>  <Form> (321)
methosulfate

>  <CAS> (321)
299-11-6

>  <URL> (321)
http://selleckchem.com/products/phenazine-methosulfate.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/11272415532D

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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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M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C10H16N5O8P

>  <MolWeight> (322)
365.236501

>  <Cat> (322)
S5284

>  <Name> (322)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (322)
5'-Adenylic acid, 5'-AMP

>  <Target> (322)
AMPK

>  <Form> (322)
hydrate

>  <CAS> (322)
18422-05-4

>  <URL> (322)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5313 SC66.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (323)
323

>  <Formula> (323)
C18H16N2O

>  <MolWeight> (323)
276.33244

>  <Cat> (323)
S5313

>  <Name> (323)
SC66

>  <Synonyms> (323)
N/A

>  <Target> (323)
Akt

>  <Form> (323)
free base

>  <CAS> (323)
871361-88-5

>  <URL> (323)
http://selleckchem.com/products/sc66.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (324)
324

>  <Formula> (324)
C23H26ClN

>  <MolWeight> (324)
351.91224

>  <Cat> (324)
S5279

>  <Name> (324)
Fendiline hydrochloride

>  <Synonyms> (324)
N/A

>  <Target> (324)
Calcium Channel,Ras

>  <Form> (324)
hydrochloride

>  <CAS> (324)
13636-18-5

>  <URL> (324)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
PK11007.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (325)
325

>  <Formula> (325)
C6H5ClN2O4S

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>  <Cat> (325)
S8728

>  <Name> (325)
PK11000

>  <Synonyms> (325)
N/A

>  <Target> (325)
p53

>  <Form> (325)
free base

>  <CAS> (325)
38275-34-2

>  <URL> (325)
https://www.selleckchem.com/products/pk11000.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (326)
326

>  <Formula> (326)
C21H28O2

>  <MolWeight> (326)
312.44582

>  <Cat> (326)
S3792

>  <Name> (326)
Guggulsterone E&Z

>  <Synonyms> (326)
N/A

>  <Target> (326)
FXR

>  <Form> (326)
free base

>  <CAS> (326)
95975-55-6

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

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (327)
327

>  <Formula> (327)
C24H24F3N5O5S3

>  <MolWeight> (327)
615.6680696

>  <Cat> (327)
S5069

>  <Name> (327)
Dabrafenib Mesylate

>  <Synonyms> (327)
GSK2118436 Mesylate

>  <Target> (327)
Raf

>  <Form> (327)
mesylate

>  <CAS> (327)
1195768-06-9

>  <URL> (327)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/11272415532D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C3H8NO6P

>  <MolWeight> (328)
185.072481

>  <Cat> (328)
S5137

>  <Name> (328)
O-Phospho-L-serine

>  <Synonyms> (328)
Dexfosfoserine

>  <Target> (328)
GluR

>  <Form> (328)
free base

>  <CAS> (328)
407-41-0

>  <URL> (328)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/11272415532D

 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
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   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 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> (329)
329

>  <Formula> (329)
C20H20O4

>  <MolWeight> (329)
324.3704

>  <Cat> (329)
S5456

>  <Name> (329)
Isobavachalcone

>  <Synonyms> (329)
Corylifolinin

>  <Target> (329)
Bacterial

>  <Form> (329)
free base

>  <CAS> (329)
20784-50-3

>  <URL> (329)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5486 Fluorometholone.cdx
csChFnd80/11272415532D

 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
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    1.2171    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  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> (330)
330

>  <Formula> (330)
C22H29FO4

>  <MolWeight> (330)
376.4616632

>  <Cat> (330)
S5486

>  <Name> (330)
Fluorometholone

>  <Synonyms> (330)
Oxylone

>  <Target> (330)
Glucocorticoid Receptor

>  <Form> (330)
free base

>  <CAS> (330)
426-13-1

>  <URL> (330)
http://selleckchem.com/products/fluorometholone.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/11272415532D

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.4269    4.8810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4293    3.4859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6281    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8468    3.4845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8468    4.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6302    5.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    1.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    5.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0593    2.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2592    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0524    6.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    4.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    7.6873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9034    5.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1150    4.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    5.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    6.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    7.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    6.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5398    7.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 11  1  1  0  0  0
 22 25  1  0  0  0  0
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 25 26  1  0  0  0  0
 11 12  2  0  0  0  0
 26 27  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3  7  1  1  0  0  0
 13 17  1  0  0  0  0
  1  2  1  0  0  0  0
 14 18  1  0  0  0  0
  1  8  1  1  0  0  0
  8 28  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  2  9  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  6  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C24H35ClO9

>  <MolWeight> (331)
502.9823

>  <Cat> (331)
S5566

>  <Name> (331)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (331)
N/A

>  <Target> (331)
SGLT

>  <Form> (331)
monohydrate

>  <CAS> (331)
960404-48-2

>  <URL> (331)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/11272415532D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   10.8708    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8386    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1344    4.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C20H18O6

>  <MolWeight> (332)
354.35332

>  <Cat> (332)
S3934

>  <Name> (332)
Acetyl Resveratrol

>  <Synonyms> (332)
N/A

>  <Target> (332)
Others

>  <Form> (332)
free base

>  <CAS> (332)
42206-94-0

>  <URL> (332)
https://www.selleckchem.com/products/acetyl-resveratrol.html

$$$$
S5360 Diflorasone.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C22H28F2O5

>  <MolWeight> (333)
410.4515264

>  <Cat> (333)
S5360

>  <Name> (333)
Diflorasone

>  <Synonyms> (333)
N/A

>  <Target> (333)
Immunology & Inflammation related

>  <Form> (333)
free base

>  <CAS> (333)
2557-49-5

>  <URL> (333)
https://www.selleckchem.com/products/diflorasone.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/11272415532D

 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> (334)
334

>  <Formula> (334)
C22H25ClO7

>  <MolWeight> (334)
436.8827

>  <Cat> (334)
S5413

>  <Name> (334)
Ertugliflozin

>  <Synonyms> (334)
MK-8835, PF-04971729

>  <Target> (334)
SGLT

>  <Form> (334)
free base

>  <CAS> (334)
1210344-57-2

>  <URL> (334)
https://www.selleckchem.com/products/ertugliflozin.html

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/11272415532D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.3139    4.1415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.0736    7.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 16  1  1  0  0  0
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 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 28 29  1  0  0  0  0
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C23H32O6

>  <MolWeight> (335)
404.49658

>  <Cat> (335)
S5501

>  <Name> (335)
Hydrocortisone acetate

>  <Synonyms> (335)
Cortisol 21-acetate

>  <Target> (335)
Immunology & Inflammation related

>  <Form> (335)
free base

>  <CAS> (335)
50-03-3

>  <URL> (335)
https://www.selleckchem.com/products/hydrocortisone-acetate.html

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/11272415532D

 11 11  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
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M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C8H8O3

>  <MolWeight> (336)
152.14732

>  <Cat> (336)
S9374

>  <Name> (336)
2',5'-Dihydroxyacetophenone

>  <Synonyms> (336)
DHAP, 2-Acetylhydroquinone, Quinacetophenone

>  <Target> (336)
ERK,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <CAS> (336)
490-78-8

>  <URL> (336)
https://www.selleckchem.com/products/2-5-dihydroxyacetophenone.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/11272415532D

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M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C15H24N2O2

>  <MolWeight> (337)
264.36326

>  <Cat> (337)
S9384

>  <Name> (337)
Sophocarpine Monohydrate

>  <Target> (337)
Immunology & Inflammation related

>  <Form> (337)
free base

>  <CAS> (337)
145572-44-7

>  <URL> (337)
https://www.selleckchem.com/products/sophocarpine-monohydrate.html

$$$$

csChFnd80/11272415532D

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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C48H52F2O11S2

>  <MolWeight> (338)
907.0466864

>  <Cat> (338)
S5901

>  <Name> (338)
Canagliflozin hemihydrate

>  <Synonyms> (338)
N/A

>  <Target> (338)
SGLT

>  <Form> (338)
hemihydrate

>  <CAS> (338)
928672-86-0

>  <URL> (338)
http://www.selleckchem.com/products/canagliflozin-hemihydrate.html

$$$$

csChFnd80/11272415532D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C19H21BrN2O3S

>  <MolWeight> (339)
437.35064

>  <Cat> (339)
S5914

>  <Name> (339)
AK 7

>  <Synonyms> (339)
N/A

>  <Target> (339)
Sirtuin

>  <Form> (339)
Free Base

>  <CAS> (339)
420831-40-9

>  <URL> (339)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/11272415532D

 30 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (340)
340

>  <Formula> (340)
C22H15FN4O2S

>  <MolWeight> (340)
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>  <Cat> (340)
S5918

>  <Name> (340)
CAY10602

>  <Synonyms> (340)
N/A

>  <Target> (340)
Sirtuin

>  <Form> (340)
Free Base

>  <CAS> (340)
374922-43-7

>  <URL> (340)
http://www.selleckchem.com/products/cay10602.html

$$$$

csChFnd80/11272415532D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   11.6119    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5019    6.1484    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8794    7.0852    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1093    4.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  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 15  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 16 25  1  1  0  0  0
  7 26  3  0  0  0  0
M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C17H12F3NO4S

>  <MolWeight> (341)
383.3416896

>  <Cat> (341)
S8352

>  <Name> (341)
PT2385

>  <Synonyms> (341)
N/A

>  <Target> (341)
HIF

>  <Form> (341)
Free Base

>  <CAS> (341)
1672665-49-4

>  <URL> (341)
http://www.selleckchem.com/products/pt2385.html

$$$$

csChFnd80/11272415532D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  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
  7 10  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C24H18ClN3O3

>  <MolWeight> (342)
431.87102

>  <Cat> (342)
S8654

>  <Name> (342)
ex229 (compound 991)

>  <Synonyms> (342)
N/A

>  <Target> (342)
AMPK

>  <Form> (342)
Free Base

>  <CAS> (342)
1219739-36-2

>  <URL> (342)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/11272415532D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 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  7  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C17H20F3N7O2

>  <MolWeight> (343)
411.3816096

>  <Cat> (343)
S8738

>  <Name> (343)
Bimiralisib (PQR309)

>  <Synonyms> (343)
N/A

>  <Target> (343)
mTOR,PI3K

>  <Form> (343)
Free Base

>  <CAS> (343)
1225037-39-7

>  <URL> (343)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/11272415532D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 23  1  0  0  0  0
  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C25H25F3N4O4

>  <MolWeight> (344)
502.4856096

>  <Cat> (344)
S8745

>  <Name> (344)
Naporafenib (LXH254)

>  <Synonyms> (344)
N/A

>  <Target> (344)
Raf

>  <Form> (344)
Free Base

>  <CAS> (344)
1800398-38-2

>  <URL> (344)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/11272415532D

 26 30  0  0  0  0  0  0  0  0999 V2000
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   10.9643    3.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5201    4.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    5.6496    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
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  8  9  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 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
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 20 16  1  0  0  0  0
 17 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
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C22H18N4

>  <MolWeight> (345)
338.40512

>  <Cat> (345)
S8749

>  <Name> (345)
MBQ-167

>  <Synonyms> (345)
N/A

>  <Target> (345)
Rho

>  <Form> (345)
Free Base

>  <CAS> (345)
2097938-73-1

>  <URL> (345)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/11272415532D

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   10.4209    4.9000    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
    1.9338    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    3.2903    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
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 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> (346)
346

>  <Formula> (346)
C23H32N2O2

>  <MolWeight> (346)
368.51238

>  <Cat> (346)
S8771

>  <Name> (346)
IDF-11774

>  <Synonyms> (346)
N/A

>  <Target> (346)
HIF

>  <Form> (346)
Free Base

>  <CAS> (346)
1429054-28-3

>  <URL> (346)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9062 4-Hydroxyisoleucine.cdx
csChFnd80/11272415532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C6H13NO3

>  <MolWeight> (347)
147.17232

>  <Cat> (347)
S9062

>  <Name> (347)
4-Hydroxyisoleucine

>  <Synonyms> (347)
(2S, 3R)-2-Amino-4-hydroxy-3-methylpentanoic acid

>  <Target> (347)
Others

>  <Form> (347)
free base

>  <CAS> (347)
781658-23-9

>  <URL> (347)
https://www.selleckchem.com/products/4-hydroxyisoleucine.html

$$$$
S9084 Rhoifolin.cdx
csChFnd80/11272415532D

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
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 17 14  1  1  0  0  0
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 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 22  2  0  0  0  0
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 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 27 23  1  1  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  6  0  0  0
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 31 35  1  0  0  0  0
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 38 41  1  1  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C27H30O14

>  <MolWeight> (348)
578.5187

>  <Cat> (348)
S9084

>  <Name> (348)
Rhoifolin

>  <Synonyms> (348)
Rhoifoloside, Apigenin 7-O-neohesperidoside, Apigenin-7-O-rhamnoglucoside

>  <Target> (348)
Anti-infection,Immunology & Inflammation related

>  <Form> (348)
free base

>  <CAS> (348)
17306-46-6

>  <URL> (348)
https://www.selleckchem.com/products/rhoifolin.html

$$$$
S9100 Fraxinellone.cdx
csChFnd80/11272415532D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4309    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7621    3.9416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4309    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    4.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    4.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3414    5.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687    2.8160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7621    1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    1.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    5.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925    6.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2137    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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  4 10  1  0  0  0  0
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  6 12  2  0  0  0  0
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 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C14H16O3

>  <MolWeight> (349)
232.27504

>  <Cat> (349)
S9100

>  <Name> (349)
Fraxinellone

>  <Target> (349)
Immunology & Inflammation related

>  <Form> (349)
free base

>  <CAS> (349)
28808-62-0

>  <URL> (349)
https://www.selleckchem.com/products/fraxinellone.html

$$$$
S9102 Magnolin.cdx
csChFnd80/11272415532D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    7.1257    4.7469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2801    5.4352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2953    3.6205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6801    5.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (350)
350

>  <Formula> (350)
C23H28O7

>  <MolWeight> (350)
416.46422

>  <Cat> (350)
S9102

>  <Name> (350)
Magnolin

>  <Target> (350)
ERK

>  <CAS> (350)
31008-18-1

>  <URL> (350)
https://www.selleckchem.com/products/magnolin.html

$$$$
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csChFnd80/11272415532D

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>  <Mol_ID> (351)
351

>  <Formula> (351)
C44H70O16

>  <MolWeight> (351)
855.017

>  <Cat> (351)
S9114

>  <Name> (351)
Polyphyllin I

>  <Target> (351)
JNK

>  <Form> (351)
free base

>  <CAS> (351)
50773-41-6

>  <URL> (351)
https://www.selleckchem.com/products/polyphyllin-i.html

$$$$
S9127 Carnosol.cdx
csChFnd80/11272415532D

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>  <Mol_ID> (352)
352

>  <Formula> (352)
C20H26O4

>  <MolWeight> (352)
330.41804

>  <Cat> (352)
S9127

>  <Name> (352)
Carnosol

>  <Target> (352)
Immunology & Inflammation related

>  <Form> (352)
free base

>  <CAS> (352)
5957-80-2

>  <URL> (352)
https://www.selleckchem.com/products/carnosol.html

$$$$
S9172 Phellodendrine.cdx
csChFnd80/11272415532D

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   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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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  4  6  2  0  0  0  0
 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> (353)
353

>  <Formula> (353)
C20H24NO4+

>  <MolWeight> (353)
342.40886

>  <Cat> (353)
S9172

>  <Name> (353)
Phellodendrine

>  <Target> (353)
Immunology & Inflammation related

>  <Form> (353)
free base

>  <CAS> (353)
6873-13-8

>  <URL> (353)
https://www.selleckchem.com/products/phellodendrine.html

$$$$
S9204 Oroxylin A.cdx
csChFnd80/11272415532D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  4 10  2  0  0  0  0
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  9 11  2  0  0  0  0
 11 14  1  0  0  0  0
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 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
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 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> (354)
354

>  <Formula> (354)
C16H12O5

>  <MolWeight> (354)
284.26348

>  <Cat> (354)
S9204

>  <Name> (354)
Oroxylin A

>  <Synonyms> (354)
6-Methoxybaicalein

>  <Target> (354)
Immunology & Inflammation related

>  <Form> (354)
free base

>  <CAS> (354)
480-11-5

>  <URL> (354)
https://www.selleckchem.com/products/oroxylin-a.html

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/11272415532D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.7997    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  6  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 21 29  1  1  0  0  0
 22 30  1  1  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C17H26O11

>  <MolWeight> (355)
406.38174

>  <Cat> (355)
S9307

>  <Name> (355)
Shanzhiside methyl ester

>  <Target> (355)
Glucagon Receptor

>  <Form> (355)
free base

>  <CAS> (355)
64421-28-9

>  <URL> (355)
https://www.selleckchem.com/products/shanzhiside-methyl-ester.html

$$$$
S9024 AKBA.cdx
csChFnd80/11272415532D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.2032    5.0691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4151    4.3630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9859    4.3630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2032    6.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7740    5.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0017    5.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C32H48O5

>  <MolWeight> (356)
512.72052

>  <Cat> (356)
S9024

>  <Name> (356)
3-O-Acetyl-11-keto-¦Â-boswellic acid (AKBA)

>  <Synonyms> (356)
FA42758

>  <Target> (356)
Lipoxygenase

>  <CAS> (356)
67416-61-9

>  <URL> (356)
https://www.selleckchem.com/products/akba.html

$$$$
S5729 Fosfosal.cdx
csChFnd80/11272415532D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C7H7O6P

>  <MolWeight> (357)
218.100641

>  <Cat> (357)
S5729

>  <Name> (357)
Fosfosal

>  <Synonyms> (357)
2-phosphonoxy benzoic acid

>  <Target> (357)
Immunology & Inflammation related

>  <Form> (357)
free base

>  <CAS> (357)
6064-83-1

>  <URL> (357)
https://www.selleckchem.com/products/fosfosal.html

$$$$

csChFnd80/11272415532D

  6  5  0  0  0  0  0  0  0  0999 V2000
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  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C3H7NO2

>  <MolWeight> (358)
89.09318

>  <Cat> (358)
S5526

>  <Name> (358)
¦Â-Alanine

>  <Synonyms> (358)
beta-Alanine, 3-Aminopropanoic acid

>  <Target> (358)
Others

>  <Form> (358)
Free Base

>  <CAS> (358)
107-95-9

>  <URL> (358)
http://www.selleckchem.com/products/beta-alanine.html

$$$$

csChFnd80/11272415532D

 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
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    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
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   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> (359)
359

>  <Formula> (359)
C22H29FO4

>  <MolWeight> (359)
376.4616632

>  <Cat> (359)
S5685

>  <Name> (359)
Desoximetasone

>  <Synonyms> (359)
Desoxymethasone, Desoximetasonum

>  <Target> (359)
Glucocorticoid Receptor

>  <Form> (359)
Free Base

>  <CAS> (359)
382-67-2

>  <URL> (359)
http://www.selleckchem.com/products/desoximetasone.html

$$$$

csChFnd80/11272415532D

 31 32  0  0  0  0  0  0  0  0999 V2000
    6.0499    0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    2.1042    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8448    2.8084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6397    4.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2599    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2697    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4748    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300    2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    5.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3392    5.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    0.7127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4797    2.0958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6446    6.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7640    5.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5443    3.7196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.1281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9143    5.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4894    5.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    0.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.1365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1194    3.7281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6945    3.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    2.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    3.5042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6945    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  3  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 30  1  1  0  0  0
  3  7  1  6  0  0  0
 10  3  1  0  0  0  0
  4  7  1  0  0  0  0
 16  4  2  0  0  0  0
 21  4  1  0  0  0  0
  9  5  2  0  0  0  0
 14  6  1  0  0  0  0
  8 13  1  1  0  0  0
 15  8  1  0  0  0  0
 15  9  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 12 19  1  0  0  0  0
 22 13  1  0  0  0  0
 14 23  1  1  0  0  0
 19 20  1  0  0  0  0
 19 25  1  6  0  0  0
 20 24  1  0  0  0  0
 27 21  1  0  0  0  0
 21 28  1  1  0  0  0
 24 22  1  0  0  0  0
 24 26  1  6  0  0  0
 29 27  1  0  0  0  0
 15 31  1  1  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C23H36O7

>  <MolWeight> (360)
424.52774

>  <Cat> (360)
S5713

>  <Name> (360)
Pravastatin

>  <Synonyms> (360)
CS-514

>  <Target> (360)
HMG-CoA Reductase

>  <Form> (360)
Free Base

>  <CAS> (360)
81093-37-0

>  <URL> (360)
http://www.selleckchem.com/products/pravastatin.html

$$$$

csChFnd80/11272415532D

 41 44  0  0  0  0  0  0  0  0999 V2000
    5.9799    4.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3816    4.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5702    5.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1415    3.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    5.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1910    3.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160    6.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    6.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7513    3.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6899    2.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1784    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6001    2.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5854    3.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7341    8.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9766    7.7377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    5.3858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9058    2.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    1.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1565    5.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026    1.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3910    2.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548    8.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    8.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6522    8.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542    1.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5130    5.6439    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8023    1.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819    9.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951    7.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4911    4.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8914    6.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6116    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572   10.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2664    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8476    4.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8257    3.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2260    6.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1822    4.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1603    3.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5606    5.6808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 17 25  2  0  0  0  0
 18 25  1  0  0  0  0
 26 19  1  0  0  0  0
 20 27  1  0  0  0  0
 21 27  2  0  0  0  0
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  1  0  0  0
 27 32  1  0  0  0  0
 28 33  2  0  0  0  0
 29 34  1  0  0  0  0
 30 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C33H35FN2O5

>  <MolWeight> (361)
558.6398032

>  <Cat> (361)
S5715

>  <Name> (361)
Atorvastatin

>  <Synonyms> (361)
N/A

>  <Target> (361)
Autophagy,HMG-CoA Reductase

>  <Form> (361)
Free Base

>  <CAS> (361)
134523-00-5

>  <URL> (361)
http://www.selleckchem.com/products/atorvastatin.html

$$$$

csChFnd80/11272415532D

 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
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   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
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    1.2124    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (362)
362

>  <Formula> (362)
C26H52N6O11S

>  <MolWeight> (362)
656.78968

>  <Cat> (362)
S5742

>  <Name> (362)
Deferoxamine mesylate (Ba 33112)

>  <Synonyms> (362)
Desferrioxamine B, DFOM, NSC 644468

>  <Target> (362)
Autophagy,Beta Amyloid,Ferroptosis,HIF

>  <Form> (362)
mesylate

>  <CAS> (362)
138-14-7

>  <URL> (362)
http://www.selleckchem.com/products/deferoxamine-mesylate.html

$$$$

csChFnd80/11272415532D

 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> (363)
363

>  <Formula> (363)
C21H24O9

>  <MolWeight> (363)
420.40986

>  <Cat> (363)
S5748

>  <Name> (363)
4¡ä-Deoxyphlorizin

>  <Synonyms> (363)
N/A

>  <Target> (363)
GLUT

>  <Form> (363)
Free Base

>  <CAS> (363)
4319-68-0

>  <URL> (363)
http://www.selleckchem.com/products/4-deoxyphlorizin.html

$$$$

csChFnd80/11272415532D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7921    1.5112    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203    1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1203    3.3477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    3.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9659    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124    5.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196    5.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5731    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4550    1.5189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746    2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4484    3.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6746    2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    3.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7711    3.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4682    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7714    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3781    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8746    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4575    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  4  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C16H17BrN2S

>  <MolWeight> (364)
349.28858

>  <Cat> (364)
S5791

>  <Name> (364)
Cyclic Pifithrin-¦Á hydrobromide

>  <Synonyms> (364)
N/A

>  <Target> (364)
p53

>  <Form> (364)
hydrobromide

>  <CAS> (364)
511296-88-1

>  <URL> (364)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/11272415532D

 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
    0.0000    0.7000    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
    1.2125    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> (365)
365

>  <Formula> (365)
C15H11Cl2NO3

>  <MolWeight> (365)
324.15874

>  <Cat> (365)
S5800

>  <Name> (365)
Alda 1

>  <Synonyms> (365)
N/A

>  <Target> (365)
Dehydrogenase

>  <Form> (365)
Free Base

>  <CAS> (365)
349438-38-6

>  <URL> (365)
http://www.selleckchem.com/products/alda-1.html

$$$$

csChFnd80/11272415532D

 15 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  5  8  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  6  0  0  0
  9 10  1  0  0  0  0
  2  9  1  1  0  0  0
  5 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C8H15N3O4

>  <MolWeight> (366)
217.2224

>  <Cat> (366)
S5801

>  <Name> (366)
Ala-Gln

>  <Synonyms> (366)
l-alanyl-l-glutamine

>  <Target> (366)
Others

>  <Form> (366)
Free Base

>  <CAS> (366)
39537-23-0

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

$$$$

csChFnd80/11272415532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.6372    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.4999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C5H10N2O2S

>  <MolWeight> (367)
162.2101

>  <Cat> (367)
S5804

>  <Name> (367)
N-Acetylcysteine amide

>  <Synonyms> (367)
N/A

>  <Target> (367)
HIF,Immunology & Inflammation related,NF-¦ÊB,ROS

>  <Form> (367)
Free Base

>  <CAS> (367)
38520-57-9

>  <URL> (367)
http://www.selleckchem.com/products/n-acetylcysteine-amide.html

$$$$

csChFnd80/11272415532D

 10  8  0  0  0  0  0  0  0  0999 V2000
    1.2110    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    1.8955    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    1.8955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    3.9955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8594    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  1  9  3  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C5H10ClN3S

>  <MolWeight> (368)
179.671

>  <Cat> (368)
S5811

>  <Name> (368)
Kevetrin hydrochloride

>  <Synonyms> (368)
Thioureidobutyronitrile HCl

>  <Target> (368)
p53

>  <Form> (368)
hydrochloride

>  <CAS> (368)
66592-89-0

>  <URL> (368)
http://www.selleckchem.com/products/kevetrin-hydrochloride.html

$$$$

csChFnd80/11272415532D

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7000    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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  1  7  1  0  0  0  0
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  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 15 20  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C22H21F3N6O2

>  <MolWeight> (369)
458.4363496

>  <Cat> (369)
S8801

>  <Name> (369)
CC-90003

>  <Synonyms> (369)
N/A

>  <Target> (369)
ERK

>  <Form> (369)
Free Base

>  <CAS> (369)
1621999-82-3

>  <URL> (369)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/11272415532D

 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
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  4  5  1  0  0  0  0
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  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
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 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> (370)
370

>  <Formula> (370)
C27H19ClN2O3

>  <MolWeight> (370)
454.90436

>  <Cat> (370)
S8803

>  <Name> (370)
MK-3903

>  <Synonyms> (370)
N/A

>  <Target> (370)
AMPK

>  <Form> (370)
Free Base

>  <CAS> (370)
1219737-12-8

>  <URL> (370)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/11272415532D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 22  1  1  0  0  0
  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
  7  4  1  0  0  0  0
 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 31  1  6  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
  8 24  1  1  0  0  0
 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
 10 35  1  6  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 25 15  1  0  0  0  0
 15 28  1  6  0  0  0
 15 29  1  1  0  0  0
 19 17  1  0  0  0  0
 18 30  1  6  0  0  0
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 27 20  1  0  0  0  0
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 25 34  1  1  0  0  0
 36 28  1  0  0  0  0
 24 37  2  0  0  0  0
 24 38  1  0  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C30H48O5

>  <MolWeight> (371)
488.69912

>  <Cat> (371)
S9514

>  <Name> (371)
Rotundic acid

>  <Synonyms> (371)
Rutundic acid

>  <Target> (371)
Akt,mTOR,p38 MAPK

>  <Form> (371)
Free Base

>  <CAS> (371)
20137-37-5

>  <URL> (371)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/11272415532D

 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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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (372)
372

>  <Formula> (372)
C10H10O2

>  <MolWeight> (372)
162.1852

>  <Cat> (372)
S6221

>  <Name> (372)
Methyl cinnamate

>  <Synonyms> (372)
N/A

>  <Target> (372)
AMPK,CaMK,Tyrosinase

>  <Form> (372)
free base

>  <CAS> (372)
103-26-4

>  <URL> (372)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/11272415532D

  9  8  0  0  0  0  0  0  0  0999 V2000
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C6H12O3

>  <MolWeight> (373)
132.15768

>  <Cat> (373)
S6046

>  <Name> (373)
(S)-Leucic acid

>  <Synonyms> (373)
(S)-¦Á-hydroxyisocaproic acid

>  <Target> (373)
Others

>  <Form> (373)
free base

>  <CAS> (373)
13748-90-8

>  <URL> (373)
http://www.selleck.cn/products/s-leucic-acid.html

$$$$

csChFnd80/11272415532D

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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C13H16N2O4

>  <MolWeight> (374)
264.27714

>  <Cat> (374)
S6076

>  <Name> (374)
Phenylacetylglutamine

>  <Synonyms> (374)
N/A

>  <Target> (374)
Others

>  <Form> (374)
free base

>  <CAS> (374)
28047-15-6

>  <URL> (374)
http://www.selleck.cn/products/phenylacetylglutamine.html

$$$$

csChFnd80/11272415532D

 34 37  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
  6  7  1  0  0  0  0
  4  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 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 24 19  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C27H25N5O2

>  <MolWeight> (375)
451.5197

>  <Cat> (375)
S8755

>  <Name> (375)
AZ304

>  <Synonyms> (375)
N/A

>  <Target> (375)
Raf

>  <Form> (375)
free base

>  <CAS> (375)
942507-42-8

>  <URL> (375)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/11272415532D

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M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C42H45ClN8O7S

>  <MolWeight> (376)
841.3741

>  <Cat> (376)
S8762

>  <Name> (376)
dBET6

>  <Synonyms> (376)
N/A

>  <Target> (376)
Apoptosis related,Epigenetic Reader Domain,Myc,PROTAC

>  <Form> (376)
free base

>  <CAS> (376)
1950634-92-0

>  <URL> (376)
http://www.selleck.cn/products/dbet6.html

$$$$

csChFnd80/11272415532D

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    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
   15.9026    1.4878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2719    1.7796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4126    3.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1390    3.7412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.6210    3.8789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8274    3.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0367    3.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8274    1.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2446    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (377)
377

>  <Formula> (377)
C25H26N8O2S2

>  <MolWeight> (377)
534.65634

>  <Cat> (377)
S8778

>  <Name> (377)
UPGL00004

>  <Synonyms> (377)
N/A

>  <Target> (377)
Glutaminase

>  <Form> (377)
free base

>  <CAS> (377)
1890169-95-5

>  <URL> (377)
http://www.selleck.cn/products/upgl00004.html

$$$$

csChFnd80/11272415532D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C8H16N2O3

>  <MolWeight> (378)
188.22424

>  <Cat> (378)
S6054

>  <Name> (378)
Glycyl-L-leucine

>  <Synonyms> (378)
N/A

>  <Target> (378)
Others

>  <Form> (378)
free base

>  <CAS> (378)
869-19-2

>  <URL> (378)
http://www.selleck.cn/products/glycyl-l-leucine.html

$$$$

csChFnd80/11272415532D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  2  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  5  8  1  0  0  0  0
  5  9  1  6  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C9H18N2O3

>  <MolWeight> (379)
202.25082

>  <Cat> (379)
S6153

>  <Name> (379)
L-Leucyl-L-alanine Hydrate

>  <Synonyms> (379)
H-Leu-Ala-OH

>  <Target> (379)
Others

>  <Form> (379)
Hydrate

>  <CAS> (379)
7298-84-2

>  <URL> (379)
http://www.selleck.cn/products/l-leucyl-l-alanine-hydrate.html

$$$$

csChFnd80/11272415532D

 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> (380)
380

>  <Formula> (380)
C5H9NO4

>  <MolWeight> (380)
147.12926

>  <Cat> (380)
S6266

>  <Name> (380)
(S)-Glutamic acid

>  <Synonyms> (380)
L-Glutamic acid

>  <Target> (380)
GluR

>  <Form> (380)
free base

>  <CAS> (380)
56-86-0

>  <URL> (380)
http://www.selleck.cn/products/s-glutamic-acid.html

$$$$

csChFnd80/11272415532D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  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
    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 N   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    0.0000    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 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  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  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C6H13NO5

>  <MolWeight> (381)
179.17112

>  <Cat> (381)
S6400

>  <Name> (381)
Glucosamine

>  <Synonyms> (381)
2-amino-2-deoxy-D-glucose

>  <Target> (381)
HIF

>  <Form> (381)
Free Base

>  <CAS> (381)
3416-24-8

>  <URL> (381)
http://www.selleck.cn/products/glucosamine.html

$$$$

csChFnd80/11272415532D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  3  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C21H20N4O

>  <MolWeight> (382)
344.4097

>  <Cat> (382)
S6417

>  <Name> (382)
GK921

>  <Synonyms> (382)
N/A

>  <Target> (382)
Glutaminase

>  <Form> (382)
Free Base

>  <CAS> (382)
1025015-40-0

>  <URL> (382)
http://www.selleck.cn/products/gk921.html

$$$$

csChFnd80/11272415532D

 50 52  0  0  0  0  0  0  0  0999 V2000
    6.0084    4.4790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6962    4.8412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0942    5.3386    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4970    3.1850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743    3.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166    6.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2975    4.5876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0580    6.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8814    3.2485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4159    4.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4929    2.5878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232    6.1350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5915    5.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2251    7.5284    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.7591    2.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    4.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2352    1.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5552    8.0532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586    6.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8271    8.8224    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.1344    2.3889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0858    2.7689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0211    1.3120    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.2970    1.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7088    0.0816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8812    0.5159    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.4101    1.0588    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.4958    1.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3781    0.0543    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.8080    1.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8938    2.3346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8121    3.7279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2509    1.9728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1153    4.2438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9930    3.1489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.7486    0.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4771    5.6011    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   20.3864    3.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8346    5.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4730    6.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1782    7.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8436    7.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1919    8.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5355    7.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5218    6.6599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8795    9.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6163    0.4840    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   15.6371    0.0698    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  6  0  0  0
  7  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 22  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
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  6  0  0  0
 36 39  1  1  0  0  0
 36 37  1  0  0  0  0
 37 40  1  6  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 44 45  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C21H26N7Na2O17P3

>  <MolWeight> (383)
787.368663

>  <Cat> (383)
S6480

>  <Name> (383)
Triphosphopyridine nucleotide disodium salt

>  <Synonyms> (383)
NADP disodium salt

>  <Target> (383)
Others

>  <Form> (383)
disodium salt

>  <CAS> (383)
24292-60-2

>  <URL> (383)
http://www.selleck.cn/products/triphosphopyridine-nucleotide-disodium-salt.html

$$$$

csChFnd80/11272415532D

 50 56  0  0  0  0  0  0  0  0999 V2000
   16.9606    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9606    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3855    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7482    9.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5357   11.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7442    5.0641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1136    4.7730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8769    7.0258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6831    3.4940    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
  4  8  1  0  0  0  0
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 13  7  1  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
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  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 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 20 44  1  1  0  0  0
 44 45  1  0  0  0  0
  8 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49  8  1  0  0  0  0
 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C37H41N9O3S

>  <MolWeight> (384)
691.84494

>  <Cat> (384)
S8701

>  <Name> (384)
MK-8353 (SCH900353)

>  <Synonyms> (384)
N/A

>  <Target> (384)
ERK

>  <Form> (384)
Free Base

>  <CAS> (384)
1184173-73-6

>  <URL> (384)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/11272415532D

 14 14  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
    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 N   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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  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 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
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 N   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
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  3  0  0  0  0
 12 14  3  0  0  0  0
M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C9H5ClN4

>  <MolWeight> (385)
204.6158

>  <Cat> (385)
S6494

>  <Name> (385)
CCCP

>  <Synonyms> (385)
Carbonyl cyanide m-chlorophenyl hydrazone, Carbonyl cyanide 3-chlorophenylhydrazone

>  <Target> (385)
IFN,STING

>  <Form> (385)
free base

>  <CAS> (385)
555-60-2

>  <URL> (385)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/11272415532D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    6.0622    2.8000    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
    4.8497    4.9000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   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
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
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  4  5  2  0  0  0  0
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 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
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 10 11  1  0  0  0  0
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 13 17  1  0  0  0  0
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 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
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 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C16H15N3O2

>  <MolWeight> (386)
281.3092

>  <Cat> (386)
S6506

>  <Name> (386)
Compound 401

>  <Synonyms> (386)
N/A

>  <Target> (386)
DNA-PK,mTOR

>  <Form> (386)
free base

>  <CAS> (386)
168425-64-7

>  <URL> (386)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/11272415532D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3622    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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454453-49-7

>  <URL> (388)
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950736-05-7

>  <URL> (389)
http://www.selleck.cn/products/b-rafin-1.html

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>  <CAS> (390)
1353867-91-0

>  <URL> (390)
http://www.selleck.cn/products/longdaysin.html

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M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C23H24ClN3O2

>  <MolWeight> (391)
409.90856

>  <Cat> (391)
S6608

>  <Name> (391)
AL082D06

>  <Synonyms> (391)
N/A

>  <Target> (391)
Glucocorticoid Receptor

>  <Form> (391)
free base

>  <CAS> (391)
256925-03-8

>  <URL> (391)
http://www.selleck.cn/products/al082D06.html

$$$$

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M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C34H38N2O4

>  <MolWeight> (392)
538.67652

>  <Cat> (392)
S8818

>  <Name> (392)
V-9302

>  <Synonyms> (392)
N/A

>  <Target> (392)
Amino acid transporter

>  <Form> (392)
free base

>  <CAS> (392)
1855871-76-9

>  <URL> (392)
http://www.selleck.cn/products/v-9302.html

$$$$

csChFnd80/11272415532D

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  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
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M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C25H28N4O2S

>  <MolWeight> (393)
448.58042

>  <Cat> (393)
S8826

>  <Name> (393)
BAY-293

>  <Synonyms> (393)
N/A

>  <Target> (393)
Ras

>  <Form> (393)
free base

>  <CAS> (393)
2244904-70-7

>  <URL> (393)
http://www.selleck.cn/products/bay-293.html

$$$$

csChFnd80/11272415532D

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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C21H31N5O2

>  <MolWeight> (394)
385.50314

>  <Cat> (394)
S8864

>  <Name> (394)
ZT-12-037-01

>  <Synonyms> (394)
N/A

>  <Target> (394)
Serine/threonin kinase

>  <Form> (394)
free base

>  <CAS> (394)
2328073-61-4

>  <URL> (394)
http://www.selleck.cn/products/zt-12-037-01.html

$$$$

csChFnd80/11272415532D

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>  <Mol_ID> (399)
399

>  <Formula> (399)
C23H16ClFN6OS

>  <MolWeight> (399)
478.9291432

>  <Cat> (399)
S8853

>  <Name> (399)
Belvarafenib (HM95573)

>  <Synonyms> (399)
GDC5573, RG6185

>  <Target> (399)
Raf

>  <Form> (399)
Free Base

>  <CAS> (399)
1446113-23-0

>  <URL> (399)
http://www.selleck.cn/products/belvarafenib.html

$$$$

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M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C22H23F3N4

>  <MolWeight> (400)
400.4400296

>  <Cat> (400)
S6618

>  <Name> (400)
JNJ-42153605

>  <Synonyms> (400)
N/A

>  <Target> (400)
GluR

>  <Form> (400)
Free Base

>  <CAS> (400)
1254977-87-1

>  <URL> (400)
http://www.selleck.cn/products/jnj-42153605.html

$$$$

csChFnd80/11272415532D

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 13  8  1  0  0  0  0
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>  <Mol_ID> (401)
401

>  <Formula> (401)
C18H12N6OS

>  <MolWeight> (401)
360.39248

>  <Cat> (401)
S6656

>  <Name> (401)
VAS2870

>  <Synonyms> (401)
N/A

>  <Target> (401)
NADPH-oxidase

>  <Form> (401)
Free Base

>  <CAS> (401)
722456-31-7

>  <URL> (401)
http://www.selleck.cn/products/vas2870.html

$$$$

csChFnd80/11272415532D

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>  <Mol_ID> (402)
402

>  <Formula> (402)
C11H14ClN3O5

>  <MolWeight> (402)
303.69896

>  <Cat> (402)
S6670

>  <Name> (402)
GPNA (L-¦Ã-Glutamyl-p-nitroanilide)

>  <Synonyms> (402)
N/A

>  <Target> (402)
Amino acid transporter

>  <Form> (402)
Free Base

>  <CAS> (402)
67953-08-6

>  <URL> (402)
http://www.selleck.cn/products/gpna.html

$$$$

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>  <Mol_ID> (403)
403

>  <Formula> (403)
C23H19ClF2N2O3

>  <MolWeight> (403)
444.8583664

>  <Cat> (403)
S6673

>  <Name> (403)
CCG-222740

>  <Synonyms> (403)
N/A

>  <Target> (403)
Actin,Rho

>  <Form> (403)
Free Base

>  <CAS> (403)
1922098-69-8

>  <URL> (403)
http://www.selleck.cn/products/ccg-222740.html

$$$$

csChFnd80/11272415532D

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Free Base

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303727-31-3

>  <URL> (404)
http://www.selleck.cn/products/l-779450.html

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>  <Mol_ID> (405)
405

>  <Formula> (405)
C23H21N5O

>  <MolWeight> (405)
383.44574

>  <Cat> (405)
S8500

>  <Name> (405)
BAY1125976

>  <Synonyms> (405)
N/A

>  <Target> (405)
Akt

>  <Form> (405)
Free Base

>  <CAS> (405)
1402608-02-9

>  <URL> (405)
http://www.selleck.cn/products/bay1125976.html

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C18H15ClN4O2

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>  <Cat> (406)
S8949

>  <Name> (406)
Olutasidenib (FT-2102)

>  <Synonyms> (406)
N/A

>  <Target> (406)
Dehydrogenase

>  <Form> (406)
Free Base

>  <CAS> (406)
1887014-12-1

>  <URL> (406)
http://www.selleck.cn/products/olutasidenib-ft-2102.html

$$$$

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407

>  <Formula> (407)
C33H40O18

>  <MolWeight> (407)
724.6599

>  <Cat> (407)
S9096

>  <Name> (407)
ligustroflavone

>  <Synonyms> (407)
Nuezhenoside

>  <Target> (407)
AMPK

>  <Form> (407)
Free Base

>  <CAS> (407)
260413-62-5

>  <URL> (407)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/11272415532D

 60 66  0  0  0  0  0  0  0  0999 V2000
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408

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C42H66O14

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794.96504

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S9116

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Chikusetsusaponin IVa

>  <Synonyms> (408)
Calenduloside F

>  <Target> (408)
AMPK,Immunology & Inflammation related

>  <Form> (408)
Free Base

>  <CAS> (408)
51415-02-2

>  <URL> (408)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

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409

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C8H9ClN2O2S

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232.68726

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S2434

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IDRA-21

>  <Synonyms> (409)
N/A

>  <Target> (409)
GluR

>  <Form> (409)
Free Base

>  <CAS> (409)
22503-72-6

>  <URL> (409)
http://www.selleck.cn/products/idra-21.html

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csChFnd80/11272415532D

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410

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C12H11N3O

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213.23524

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S2645

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SIB 1757

>  <Synonyms> (410)
N/A

>  <Target> (410)
GluR

>  <Form> (410)
Free Base

>  <CAS> (410)
31993-01-8

>  <URL> (410)
http://www.selleck.cn/products/sib-1757.html

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csChFnd80/11272415532D

 24 26  0  0  0  0  0  0  0  0999 V2000
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411

>  <Formula> (411)
C15H16N6O3

>  <MolWeight> (411)
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IOX4

>  <Synonyms> (411)
N/A

>  <Target> (411)
HIF

>  <Form> (411)
Free Base

>  <CAS> (411)
1154097-71-8

>  <URL> (411)
http://www.selleck.cn/products/iox4.html

$$$$

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M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C46H51F3N6O8S2

>  <MolWeight> (412)
937.0577496

>  <Cat> (412)
S8953

>  <Name> (412)
ASP4132

>  <Synonyms> (412)
N/A

>  <Target> (412)
AMPK

>  <Form> (412)
Free Base

>  <CAS> (412)
1640294-30-9

>  <URL> (412)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/11272415532D

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M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C26H23N5O2

>  <MolWeight> (413)
437.49312

>  <Cat> (413)
S8961

>  <Name> (413)
Alobresib (GS-5829)

>  <Synonyms> (413)
N/A

>  <Target> (413)
Akt,Apoptosis related,Epigenetic Reader Domain,ERK,Myc,NF-¦ÊB

>  <Form> (413)
Free Base

>  <CAS> (413)
1637771-14-2

>  <URL> (413)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/11272415532D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C17H11BrFN3O2

>  <MolWeight> (414)
388.1905432

>  <Cat> (414)
S6786

>  <Name> (414)
ERK5-IN-2

>  <Synonyms> (414)
N/A

>  <Target> (414)
ERK

>  <Form> (414)
Free Base

>  <CAS> (414)
1888305-96-1

>  <URL> (414)
http://www.selleckchem.com/products/erk5-in-2.html

$$$$

csChFnd80/11272415532D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C14H17NO3

>  <MolWeight> (415)
247.28968

>  <Cat> (415)
S6804

>  <Name> (415)
CX546

>  <Synonyms> (415)
N/A

>  <Target> (415)
GluR

>  <Form> (415)
Free Base

>  <CAS> (415)
215923-54-9

>  <URL> (415)
http://www.selleckchem.com/products/cx546.html

$$$$

csChFnd80/11272415532D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C19H18N4O4

>  <MolWeight> (416)
366.37062

>  <Cat> (416)
S0103

>  <Name> (416)
ML327

>  <Synonyms> (416)
N/A

>  <Target> (416)
Apoptosis related,Myc

>  <Form> (416)
Free Base

>  <CAS> (416)
1883510-31-3

>  <URL> (416)
http://www.selleckchem.com/products/ml327.html

$$$$

csChFnd80/11272415532D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 30  4  1  0  0  0  0
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 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C21H25F2N7O2

>  <MolWeight> (417)
445.4657064

>  <Cat> (417)
S8784

>  <Name> (417)
PQR620

>  <Synonyms> (417)
N/A

>  <Target> (417)
mTOR

>  <Form> (417)
Free Base

>  <CAS> (417)
1927857-56-4

>  <URL> (417)
http://www.selleckchem.com/products/pqr620.html

$$$$

csChFnd80/11272415532D

 32 32  0  0  0  0  0  0  0  0999 V2000
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 12  8  1  1  0  0  0
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 11 14  1  0  0  0  0
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>  <Mol_ID> (418)
418

>  <Formula> (418)
C22H29N3O7

>  <MolWeight> (418)
447.48156

>  <Cat> (418)
S8892

>  <Name> (418)
JHU395

>  <Synonyms> (418)
N/A

>  <Target> (418)
Glutaminase

>  <Form> (418)
Free Base

>  <CAS> (418)
2079938-92-2

>  <URL> (418)
http://www.selleckchem.com/products/jhu395.html

$$$$

csChFnd80/11272415532D

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>  <Mol_ID> (419)
419

>  <Formula> (419)
C11H13NOS

>  <MolWeight> (419)
207.29202

>  <Cat> (419)
S0023

>  <Name> (419)
K-Ras-IN-1

>  <Synonyms> (419)
MDK-3017

>  <Target> (419)
Ras

>  <Form> (419)
free base

>  <CAS> (419)
84783-01-7

>  <URL> (419)
http://www.selleckchem.com/products/k-ras-in-1.html

$$$$

csChFnd80/11272415532D

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  5 29  1  0  0  0  0
  6 24  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 23  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C21H25N3O5S

>  <MolWeight> (420)
431.5053

>  <Cat> (420)
S0178

>  <Name> (420)
GLX351322

>  <Synonyms> (420)
N/A

>  <Target> (420)
NADPH-oxidase

>  <Form> (420)
free base

>  <CAS> (420)
835598-94-2

>  <URL> (420)
http://www.selleckchem.com/products/glx351322.html

$$$$

csChFnd80/11272415532D

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    5.7157    9.7567    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 12 13  1  0  0  0  0
 11 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  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C14H10N4O3S

>  <MolWeight> (421)
314.3192

>  <Cat> (421)
S0458

>  <Name> (421)
KY1220

>  <Synonyms> (421)
N/A

>  <Target> (421)
Ras,Wnt/beta-catenin

>  <Form> (421)
free base

>  <CAS> (421)
292168-79-7

>  <URL> (421)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/11272415532D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.4354    6.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
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  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C17H17N3O

>  <MolWeight> (422)
279.33638

>  <Cat> (422)
S0777

>  <Name> (422)
Isuzinaxib (APX-115 free base)

>  <Synonyms> (422)
Ewha-18278 free base

>  <Target> (422)
CCR,Interleukins,NADPH-oxidase,TNF-alpha

>  <Form> (422)
free base

>  <CAS> (422)
1270084-92-8

>  <URL> (422)
http://www.selleckchem.com/products/apx-115-free-base.html

$$$$

csChFnd80/11272415532D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   14.3667    2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2956    9.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5463    7.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7911    8.3432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667    1.2125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 13  6  1  1  0  0  0
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  9 28  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 27  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  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  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C26H30FNO7S

>  <MolWeight> (423)
519.5823032

>  <Cat> (423)
S0994

>  <Name> (423)
Ipragliflozin L-Proline

>  <Synonyms> (423)
N/A

>  <Target> (423)
SGLT

>  <Form> (423)
free base

>  <CAS> (423)
951382-34-6

>  <URL> (423)
http://www.selleckchem.com/products/ipragliflozin-l-proline.html

$$$$

csChFnd80/11272415532D

 21 22  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
  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
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  1 12  1  0  0  0  0
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  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
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 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> (424)
424

>  <Formula> (424)
C17H18O4

>  <MolWeight> (424)
286.32242

>  <Cat> (424)
S3241

>  <Name> (424)
Loureirin A

>  <Synonyms> (424)
N/A

>  <Target> (424)
Akt,PI3K

>  <Form> (424)
free base

>  <CAS> (424)
119425-89-7

>  <URL> (424)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/11272415532D

 23 24  0  0  0  0  0  0  0  0999 V2000
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   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C18H20O5

>  <MolWeight> (425)
316.3484

>  <Cat> (425)
S3242

>  <Name> (425)
Loureirin B

>  <Synonyms> (425)
LB, LrB

>  <Target> (425)
Calcium Channel,ERK,JNK,PAI-1,Potassium Channel

>  <Form> (425)
free base

>  <CAS> (425)
119425-90-0

>  <URL> (425)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/11272415532D

 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
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (426)
426

>  <Formula> (426)
C16H12O6

>  <MolWeight> (426)
300.26288

>  <Cat> (426)
S3296

>  <Name> (426)
Hispidulin

>  <Synonyms> (426)
Dinatin

>  <Target> (426)
Akt,AMPK,Apoptosis related,Mitochondrial Metabolism,PI3K,Pim

>  <Form> (426)
free base

>  <CAS> (426)
1447-88-7

>  <URL> (426)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/11272415532D

 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
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C19H18NO4+

>  <MolWeight> (427)
324.35052

>  <Cat> (427)
S3299

>  <Name> (427)
Demethyleneberberine

>  <Synonyms> (427)
DMB

>  <Target> (427)
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha

>  <Form> (427)
free base

>  <CAS> (427)
25459-91-0

>  <URL> (427)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/11272415532D

 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> (428)
428

>  <Formula> (428)
C27H33ClN2O4

>  <MolWeight> (428)
485.01492

>  <Cat> (428)
S6760

>  <Name> (428)
LM22B-10

>  <Synonyms> (428)
N/A

>  <Target> (428)
Akt,ERK,Trk receptor

>  <Form> (428)
free base

>  <CAS> (428)
342777-54-2

>  <URL> (428)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/11272415532D

 17 19  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
    2.4250    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    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
    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
    1.2125    1.4000    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
    8.6062    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    1.6674    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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    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
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  1  2  1  0  0  0  0
  1  8  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
  9 13  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
 13 17  2  0  0  0  0
 12 14  2  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C13H15NO3

>  <MolWeight> (429)
233.2631

>  <Cat> (429)
S6803

>  <Name> (429)
1-BCP

>  <Synonyms> (429)
Piperonylic acid piperidide

>  <Target> (429)
GluR

>  <Form> (429)
free base

>  <CAS> (429)
34023-62-6

>  <URL> (429)
http://www.selleckchem.com/products/1-bcp.html

$$$$

csChFnd80/11272415532D

 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> (430)
430

>  <Formula> (430)
C27H24N6

>  <MolWeight> (430)
432.51966

>  <Cat> (430)
S6811

>  <Name> (430)
Miransertib (ARQ-092)

>  <Synonyms> (430)
N/A

>  <Target> (430)
Akt

>  <Form> (430)
free base

>  <CAS> (430)
1313881-70-7

>  <URL> (430)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/11272415532D

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 N   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
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    7.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3313    6.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3313    4.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1205    4.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5454    7.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7570    6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    7.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1822    9.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3946    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3946    7.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1822    6.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    8.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1166    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  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
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  1 11  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
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 15 16  1  0  0  0  0
 13 14  1  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
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 29 30  1  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 36  1  0  0  0  0
 31 36  2  0  0  0  0
 30 31  1  0  0  0  0
 26 29  1  0  0  0  0
 37 38  1  0  0  0  0
 25 37  1  0  0  0  0
 22 23  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C33H36N2O3

>  <MolWeight> (431)
508.65054

>  <Cat> (431)
S6905

>  <Name> (431)
MCP110

>  <Synonyms> (431)
N/A

>  <Target> (431)
Raf,Ras

>  <Form> (431)
free base

>  <CAS> (431)
521310-51-0

>  <URL> (431)
http://www.selleckchem.com/products/mcp110.html

$$$$

csChFnd80/11272415532D

 12 11  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
    9.7037    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C10H20O2

>  <MolWeight> (432)
172.2646

>  <Cat> (432)
S6906

>  <Name> (432)
Capric acid

>  <Synonyms> (432)
DA, Decanoic acid, Decylic acid

>  <Target> (432)
GluR,PPAR

>  <Form> (432)
free base

>  <CAS> (432)
334-48-5

>  <URL> (432)
http://www.selleckchem.com/products/capric-acid.html

$$$$

csChFnd80/11272415532D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.8953    4.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877    3.9556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8572    5.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8168    6.1715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6043    5.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877    1.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3877    2.7433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5877    5.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1877    5.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5105    5.0882    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.8420    4.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8420    3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5105    2.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0780    1.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9631    7.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9586    3.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5757    3.2806    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0741    4.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3911    1.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948    2.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120    2.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    3.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3495    0.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9751    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9553    5.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    4.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    5.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  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
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 13 20  1  0  0  0  0
  9 10  1  0  0  0  0
  8  9  1  0  0  0  0
  4 22  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 23 26  2  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 32  1  0  0  0  0
 28 30  1  0  0  0  0
 33 34  3  0  0  0  0
 30 33  1  0  0  0  0
 27 28  1  0  0  0  0
 24 27  1  0  0  0  0
  1 23  1  0  0  0  0
 25 35  1  0  0  0  0
 25 36  1  0  0  0  0
 25 37  1  0  0  0  0
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C27H33N5O4S

>  <MolWeight> (433)
523.64702

>  <Cat> (433)
S8449

>  <Name> (433)
VH298

>  <Synonyms> (433)
N/A

>  <Target> (433)
E3 Ligase ,HIF,PROTAC

>  <Form> (433)
free base

>  <CAS> (433)
2097381-85-4

>  <URL> (433)
http://www.selleckchem.com/products/vh298.html

$$$$

csChFnd80/11272415532D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.8517    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0696    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    1.3966    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4226    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    3.4985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.0968    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7064    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    3.4985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8005    0.0000 N   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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C6H9N3O3

>  <MolWeight> (434)
171.15396

>  <Cat> (434)
S8620

>  <Name> (434)
6-Diazo-5-oxo-L-norleucine

>  <Synonyms> (434)
Diazooxonorleucine, 6-Diazo-5-oxo-L-nor-Leucine, L-6-Diazo-5-oxonorleucine, DON

>  <Target> (434)
Glutaminase

>  <Form> (434)
free base

>  <CAS> (434)
157-03-9

>  <URL> (434)
http://www.selleckchem.com/products/6-diazo-5-oxo-l-norleucine.html

$$$$

csChFnd80/11272415532D

 40 43  0  0  0  0  0  0  0  0999 V2000
    3.3641   11.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8263    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0263    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0636    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5512    4.3876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   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
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435

>  <Formula> (435)
C26H16ClF9N2O2

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>  <Cat> (435)
S8905

>  <Name> (435)
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>  <Synonyms> (435)
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>  <Target> (435)
Myc

>  <Form> (435)
free base

>  <CAS> (435)
2289690-31-7

>  <URL> (435)
http://www.selleckchem.com/products/myci361.html

$$$$

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>  <Mol_ID> (436)
436

>  <Formula> (436)
C25H16Cl2F6N2O2

>  <MolWeight> (436)
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>  <Cat> (436)
S8906

>  <Name> (436)
MYCi975

>  <Synonyms> (436)
NUCC-0200975

>  <Target> (436)
Myc

>  <Form> (436)
free base

>  <CAS> (436)
2289691-01-4

>  <URL> (436)
http://www.selleckchem.com/products/myci975.html

$$$$

csChFnd80/11272415532D

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>  <Mol_ID> (437)
437

>  <Formula> (437)
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>  <MolWeight> (437)
462.4648096

>  <Cat> (437)
S8916

>  <Name> (437)
BI-3406

>  <Synonyms> (437)
N/A

>  <Target> (437)
Ras

>  <Form> (437)
free base

>  <CAS> (437)
2230836-55-0

>  <URL> (437)
http://www.selleckchem.com/products/bi-3406.html

$$$$

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  8 33  2  0  0  0  0
  9 10  1  0  0  0  0
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 10 19  2  0  0  0  0
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 16 18  1  1  0  0  0
 19 20  1  0  0  0  0
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 30 32  1  0  0  0  0
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 32 37  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C26H40N4O8

>  <MolWeight> (438)
536.6178

>  <Cat> (438)
S8938

>  <Name> (438)
KGA-2727

>  <Synonyms> (438)
N/A

>  <Target> (438)
SGLT

>  <Form> (438)
free base

>  <CAS> (438)
666842-36-0

>  <URL> (438)
http://www.selleckchem.com/products/kga-2727.html

$$$$

csChFnd80/11272415532D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    3.9032    3.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2106    9.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1824    5.7416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7800   10.6164    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  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  6 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  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
 26 27  1  0  0  0  0
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 28 24  2  0  0  0  0
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 23 30  2  0  0  0  0
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 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C23H26N6O2S

>  <MolWeight> (439)
450.55654

>  <Cat> (439)
S8974

>  <Name> (439)
GSK2795039

>  <Synonyms> (439)
N/A

>  <Target> (439)
Apoptosis related,NADPH-oxidase,ROS

>  <Form> (439)
free base

>  <CAS> (439)
1415925-18-6

>  <URL> (439)
http://www.selleckchem.com/products/gsk2795039.html

$$$$

csChFnd80/11272415532D

 22 23  0  0  0  0  0  0  0  0999 V2000
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    1.2104    3.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3320    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3952    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
  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> (440)
440

>  <Formula> (440)
C13H16F3N5O

>  <MolWeight> (440)
315.2942496

>  <Cat> (440)
S9604

>  <Name> (440)
IM156

>  <Synonyms> (440)
HL156A

>  <Target> (440)
AMPK,Apoptosis related,OXPHOS

>  <Form> (440)
free base

>  <CAS> (440)
1422365-93-2

>  <URL> (440)
http://www.selleckchem.com/products/im156.html

$$$$

csChFnd80/11272415532D

 21 20  0  0  0  0  0  0  0  0999 V2000
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   10.9120    8.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C18H32O3

>  <MolWeight> (441)
296.44488

>  <Cat> (441)
S9611

>  <Name> (441)
ABTL-0812

>  <Synonyms> (441)
¦Á-Hydroxylinoleic acid

>  <Target> (441)
Akt,Autophagy,mTOR,ROS

>  <Form> (441)
free base

>  <CAS> (441)
57818-44-7

>  <URL> (441)
http://www.selleckchem.com/products/abtl-0812.html

$$$$

csChFnd80/11272415532D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
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  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 25  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 23  1  0  0  0  0
 10 20  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 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> (442)
442

>  <Formula> (442)
C20H18ClN3O6

>  <MolWeight> (442)
431.82642

>  <Cat> (442)
S0729

>  <Name> (442)
TP0463518

>  <Synonyms> (442)
N/A

>  <Target> (442)
HIF

>  <Form> (442)
Free Base

>  <CAS> (442)
1558021-37-6

>  <URL> (442)
https://www.selleckchem.com/products/tp0463518.html

$$$$

csChFnd80/11272415532D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
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  2 10  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C14H15N3O

>  <MolWeight> (443)
241.2884

>  <Cat> (443)
S0165

>  <Name> (443)
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>  <Synonyms> (443)
Ampakine CX 516, BDP-12, SPD 420

>  <Target> (443)
GluR

>  <Form> (443)
Free Base

>  <CAS> (443)
154235-83-3

>  <URL> (443)
https://www.selleckchem.com/products/cx-516.html

$$$$

csChFnd80/11272415532D

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  2  5  1  0  0  0  0
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  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 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
 14 16  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C18H16O3S

>  <MolWeight> (444)
312.38284

>  <Cat> (444)
S2937

>  <Name> (444)
SYP-5

>  <Synonyms> (444)
N/A

>  <Target> (444)
HIF

>  <Form> (444)
Free Base

>  <CAS> (444)
1384268-04-5

>  <URL> (444)
https://www.selleckchem.com/products/syp-5.html

$$$$

csChFnd80/11272415532D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
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  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  5 14  1  0  0  0  0
 10 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C17H20N6O2S

>  <MolWeight> (445)
372.4447

>  <Cat> (445)
S6517

>  <Name> (445)
GNE-493

>  <Synonyms> (445)
N/A

>  <Target> (445)
mTOR,PI3K

>  <Form> (445)
Free Base

>  <CAS> (445)
1033735-94-2

>  <URL> (445)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/11272415532D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  7 20  3  0  0  0  0
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M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C17H10F5NO4S

>  <MolWeight> (446)
419.322616

>  <Cat> (446)
S8351

>  <Name> (446)
PT2399

>  <Synonyms> (446)
N/A

>  <Target> (446)
HIF

>  <Form> (446)
Free Base

>  <CAS> (446)
1672662-14-4

>  <URL> (446)
https://www.selleckchem.com/products/pt2399.html

$$$$

csChFnd80/11272415532D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (447)
447

>  <Formula> (447)
C22H23ClN2O2

>  <MolWeight> (447)
382.88322

>  <Cat> (447)
S9636

>  <Name> (447)
DRB18

>  <Synonyms> (447)
N/A

>  <Target> (447)
GLUT

>  <Form> (447)
Free Base

>  <CAS> (447)
unknown

>  <URL> (447)
https://www.selleckchem.com/products/drb18.html

$$$$

csChFnd80/11272415532D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    3.6331    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4024    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
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  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 14  1  0  0  0  0
 11 18  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C17H16N4O4

>  <MolWeight> (448)
340.33334

>  <Cat> (448)
S9656

>  <Name> (448)
Enarodustat (JTZ-951)

>  <Synonyms> (448)
N/A

>  <Target> (448)
HIF

>  <Form> (448)
Free Base

>  <CAS> (448)
1262132-81-9

>  <URL> (448)
https://www.selleckchem.com/products/enarodustat.html

$$$$

csChFnd80/11272415532D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  6 14  2  0  0  0  0
  7 11  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 11 15  1  0  0  0  0
  2 19  2  0  0  0  0
  3 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C12H8N4O6S

>  <MolWeight> (449)
336.28012

>  <Cat> (449)
S9686

>  <Name> (449)
NBQX (FG9202)

>  <Synonyms> (449)
NNC 079202

>  <Target> (449)
GluR

>  <Form> (449)
Free Base

>  <CAS> (449)
118876-58-7

>  <URL> (449)
https://www.selleckchem.com/products/nbqx.html

$$$$

csChFnd80/11272415532D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.7324    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7324    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 14  2  0  0  0  0
  3 17  1  0  0  0  0
  4 20  2  0  0  0  0
  5 24  1  0  0  0  0
  6 24  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 23  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
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C16H16N2O6

>  <MolWeight> (450)
332.30804

>  <Cat> (450)
S9699

>  <Name> (450)
Desidustat

>  <Synonyms> (450)
ZYAN1, ZYAN1-1001

>  <Target> (450)
HIF

>  <Form> (450)
Free Base

>  <CAS> (450)
1616690-16-4

>  <URL> (450)
https://www.selleckchem.com/products/desidustat.html

$$$$

csChFnd80/11272415532D

 39 42  0  0  0  0  0  0  0  0999 V2000
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    3.5167   13.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1442    9.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8189    8.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2626   13.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0644    1.7147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1983    9.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1669   10.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4176    7.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6624    8.7804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5298    9.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1265    9.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4166    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
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 15  4  1  6  0  0  0
 16  5  1  6  0  0  0
 17  6  1  1  0  0  0
  7 19  1  0  0  0  0
  8 35  1  0  0  0  0
  8 38  1  0  0  0  0
  9 36  2  0  0  0  0
 10 37  1  0  0  0  0
 11 37  2  0  0  0  0
 12 30  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  6  0  0  0
 14 16  1  0  0  0  0
 14 20  1  1  0  0  0
 15 17  1  0  0  0  0
 16 17  1  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
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  2  0  0  0  0
 30 31  1  0  0  0  0
 30 37  1  1  0  0  0
 31 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C27H32ClNO10

>  <MolWeight> (451)
565.99668

>  <Cat> (451)
S4431

>  <Name> (451)
Ertugliflozin L-pyroglutamic acid

>  <Synonyms> (451)
MK-8835 L-pyroglutamic acid, PF-04971729 L-pyroglutamic acid

>  <Target> (451)
SGLT

>  <Form> (451)
Free Base

>  <CAS> (451)
1210344-83-4

>  <URL> (451)
http://www.selleckchem.com/products/ertugliflozin-l-pyroglutamic-acid.html

$$$$

csChFnd80/11272415532D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    0.7000    2.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.0930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    2.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8108    2.9224    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0974    3.9076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.0320    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1631    2.5600    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  0  0  0  0
  6  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
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C5H10N2O7P2

>  <MolWeight> (452)
272.089622

>  <Cat> (452)
S1314

>  <Name> (452)
Zoledronic acid (ZOL 446)

>  <Synonyms> (452)
ZA, Zoledronate, CGP-4244, GP42446A, ZOL 446, Zometa, Zomera, Aclasta, Reclast

>  <Target> (452)
Apoptosis related,Autophagy,Ras,Rho

>  <Form> (452)
Free Base

>  <CAS> (452)
118072-93-8

>  <URL> (452)
http://www.selleckchem.com/products/Zoledronic-Acid.html

$$$$

csChFnd80/11272415532D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5378    9.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    7.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7793    6.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  1  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
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0445    6.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3890    8.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3761    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4349    8.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4164    6.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9967    8.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9585   10.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1254    8.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7480    6.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1659    9.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7883    7.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4973    8.8007    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
   18.8692    9.3049    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
   19.9096   10.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1604    7.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16  2  1  1  0  0  0
  2 18  1  0  0  0  0
 12  3  1  1  0  0  0
 13  4  1  6  0  0  0
 14  5  1  6  0  0  0
  6 17  1  0  0  0  0
  6 27  1  0  0  0  0
  7 27  1  0  0  0  0
  7 33  1  0  0  0  0
  8 27  2  0  0  0  0
  9 32  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 18  2  0  0  0  0
 12 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  1  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C26H38N2O9

>  <MolWeight> (453)
522.58792

>  <Cat> (453)
S0993

>  <Name> (453)
Remogliflozin etabonate (GSK189075)

>  <Synonyms> (453)
N/A

>  <Target> (453)
SGLT

>  <Form> (453)
Free Base

>  <CAS> (453)
442201-24-3

>  <URL> (453)
http://www.selleckchem.com/products/remogliflozin-etabonate.html

$$$$

csChFnd80/11272415532D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.1043    1.1930    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1143    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1214    1.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9090    3.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4841    2.4979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717    1.7979    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9954    2.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2108    0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6965    1.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9090    2.4979    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  8  1  0  0  0  0
  1 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 11  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
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C6H11NO4S

>  <MolWeight> (454)
193.22084

>  <Cat> (454)
S6090

>  <Name> (454)
JFD01307SC

>  <Synonyms> (454)
[(1,1-dioxidotetrahydrothien-3-yl)amino]acetic acid

>  <Target> (454)
Bacterial

>  <Form> (454)
Free Base

>  <CAS> (454)
51070-56-5

>  <URL> (454)
http://www.selleckchem.com/products/jfd01307sc.html

$$$$

csChFnd80/11272415532D

 10  9  0  0  0  0  0  0  0  0999 V2000
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  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
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  7  5  1  1  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C4H9N3O3

>  <MolWeight> (455)
147.13256

>  <Cat> (455)
E0134

>  <Name> (455)
L-Albizziin

>  <Synonyms> (455)
L-alpha-amino-beta-ureidopropionic acid

>  <Target> (455)
Glutaminase

>  <Form> (455)
Free Base

>  <CAS> (455)
1483-07-4

>  <URL> (455)
http://www.selleckchem.com/products/l-albizziin.html

$$$$

csChFnd80/11272415532D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.1497    2.5108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3668    1.2126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6496    7.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9545    6.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4669    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3668    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4669    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    5.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1497    4.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5846    6.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0668    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1669    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5669    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2669    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2669    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3670    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2 19  2  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  6 20  2  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  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
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C18H18N2O4S2

>  <MolWeight> (456)
390.47652

>  <Cat> (456)
E0135

>  <Name> (456)
CID-1067700

>  <Synonyms> (456)
ML282

>  <Target> (456)
Ras

>  <Form> (456)
Free Base

>  <CAS> (456)
314042-01-8

>  <URL> (456)
http://www.selleckchem.com/products/cid-1067700.html

$$$$

csChFnd80/11272415532D

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.5497    9.6124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7621   15.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248   18.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248   15.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   19.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871   17.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   17.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3373   15.9124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5497   18.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   15.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7621   17.3124    0.0000 C   0  0  1  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
    1.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   13.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747   18.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   13.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621   13.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3373   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248   11.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   11.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  9  4  1  1  0  0  0
 10  5  1  6  0  0  0
 11  6  1  6  0  0  0
  7 18  1  0  0  0  0
  8 26  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  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
 12 16  1  0  0  0  0
 13 17  1  1  0  0  0
 14 18  1  1  0  0  0
 15 16  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (457)
457

>  <Formula> (457)
C24H29ClO7

>  <MolWeight> (457)
464.93586

>  <Cat> (457)
E0141

>  <Name> (457)
Bexagliflozin (EGT1442)

>  <Synonyms> (457)
EGT-0001442, THR-1442

>  <Target> (457)
SGLT

>  <Form> (457)
Free Base

>  <CAS> (457)
1118567-05-7

>  <URL> (457)
http://www.selleckchem.com/products/bexgliflozin-egt1442.html

$$$$

csChFnd80/11272415532D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9000    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
    0.0000    2.7999    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 14 20  1  0  0  0  0
 11 13  1  0  0  0  0
 10 11  2  0  0  0  0
  1  9  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C16H15BrN2O3

>  <MolWeight> (458)
363.2059

>  <Cat> (458)
S0179

>  <Name> (458)
mTOR inhibitor-1

>  <Target> (458)
mTOR

>  <Form> (458)
free base

>  <CAS> (458)
468747-17-3

>  <URL> (458)
http://www.selleckchem.com/products/mtor-inhibitor-1.html

$$$$

csChFnd80/11272415532D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   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  3  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    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
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  8  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
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 18  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C13H14N2O3

>  <MolWeight> (459)
246.26186

>  <Cat> (459)
S0730

>  <Name> (459)
(Rac)-Antineoplaston A10

>  <Synonyms> (459)
N/A

>  <Target> (459)
Ras

>  <Form> (459)
free base

>  <CAS> (459)
77658-84-5

>  <URL> (459)
http://www.selleckchem.com/products/-rac--antineoplaston-a10.html

$$$$

csChFnd80/11272415532D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6372    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5496    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    0.5125    0.0000 N   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  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  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  1 11  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  6 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C17H25N3O2S

>  <MolWeight> (460)
335.4643

>  <Cat> (460)
E0451

>  <Name> (460)
Dansylcadaverine?(Monodansyl cadaverine)

>  <Synonyms> (460)
MDC, Monodansyl cadaverine

>  <Target> (460)
Others

>  <Form> (460)
free base

>  <CAS> (460)
10121-91-2

>  <URL> (460)
http://www.selleckchem.com/products/dansylcadaverine-monodansyl-cadaverine.html

$$$$

csChFnd80/11272415532D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.0621    3.5002    0.0000 N   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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.7000    0.0000 C   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
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    8.4869    3.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.5002    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2123    4.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  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
 11 12  3  0  0  0  0
  7 11  1  0  0  0  0
  3 13  2  0  0  0  0
  2 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C9H4N4O4

>  <MolWeight> (461)
232.15246

>  <Cat> (461)
E0484

>  <Name> (461)
CNQX

>  <Synonyms> (461)
6-cyano-7-nitroquinoxaline-2,3-dione

>  <Target> (461)
GluR

>  <Form> (461)
free base

>  <CAS> (461)
115066-14-3

>  <URL> (461)
http://www.selleckchem.com/products/cnqx.html

$$$$

csChFnd80/11272415532D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.4248    5.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.9823    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    4.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7793    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8793    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7793    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  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  1  2  0  0  0  0
  6  2  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  4 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
 13 15  1  0  0  0  0
 12 13  1  0  0  0  0
  3 20  1  0  0  0  0
M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C15H11ClN2OS

>  <MolWeight> (462)
302.77864

>  <Cat> (462)
E0535

>  <Name> (462)
WAY-303290

>  <Synonyms> (462)
GluR6 antagonist-1

>  <Target> (462)
GluR

>  <Form> (462)
free base

>  <CAS> (462)
323176-64-3

>  <URL> (462)
http://www.selleckchem.com/products/way-303290.html

$$$$

csChFnd80/11272415532D

 33 37  0  0  0  0  0  0  0  0999 V2000
   12.0415    6.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5490    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.9585    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
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    0.0000    3.6585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6415    6.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.0585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0415    8.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8415    8.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7415   10.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1415   10.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  0  0  0  0
  2 13  2  0  0  0  0
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  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
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 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 28  1  0  0  0  0
 16 17  2  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C25H17ClN4O3

>  <MolWeight> (463)
456.88048

>  <Cat> (463)
E1047

>  <Name> (463)
NAV-2729

>  <Target> (463)
Ras

>  <Form> (463)
free base

>  <CAS> (463)
419547-11-8

>  <URL> (463)
http://www.selleckchem.com/products/nav-2729.html

$$$$

csChFnd80/11272415532D

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M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C17H14Cl2FN3OS

>  <MolWeight> (464)
398.2819632

>  <Cat> (464)
E1151

>  <Name> (464)
JR-AB2-011

>  <Target> (464)
mTOR

>  <Form> (464)
free base

>  <CAS> (464)
2411853-34-2

>  <URL> (464)
http://www.selleckchem.com/products/jr-ab2-011.html

$$$$

csChFnd80/11272415532D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
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M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C27H27BrN2O

>  <MolWeight> (465)
475.42008

>  <Cat> (465)
E2365

>  <Name> (465)
Glutaminase C-IN-1

>  <Target> (465)
Glutaminase

>  <Form> (465)
free base

>  <CAS> (465)
311795-38-7

>  <URL> (465)
http://www.selleckchem.com/products/glutaminase-c-in-1.html

$$$$

csChFnd80/11272415532D

 61 63  0  0  0  0  0  0  0  0999 V2000
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 60 55  1  0  0  0  0
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M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C40H62N12O9

>  <MolWeight> (466)
854.99528

>  <Cat> (466)
P1107

>  <Name> (466)
Alamandine

>  <Target> (466)
Ras

>  <Form> (466)
free base

>  <CAS> (466)
1176306-10-7

>  <URL> (466)
http://www.selleckchem.com/products/alamandine.html

$$$$
>  <Mol_ID> (467)
467

>  <Cat> (467)
P1165

>  <Name> (467)
Pep2m, myristoylated (TFA)

>  <Target> (467)
GluR

>  <Form> (467)
free base

>  <URL> (467)
http://www.selleckchem.com/products/pep2m--myristoylated--tfa-.html

$$$$

csChFnd80/11272415532D

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>  <CAS> (468)
27406-31-1

>  <URL> (468)
http://www.selleckchem.com/products/mhy-1685.html

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csChFnd80/11272415532D

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>  <Mol_ID> (469)
469

>  <Formula> (469)
C21H17ClF2N4O2

>  <MolWeight> (469)
430.8350864

>  <Cat> (469)
S8707

>  <Name> (469)
ARS-1620

>  <Synonyms> (469)
N/A

>  <Target> (469)
Ras

>  <Form> (469)
Free base

>  <CAS> (469)
1698055-85-4

>  <URL> (469)
http://www.selleckchem.com/products/ars-1620.html

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>  <Mol_ID> (470)
470

>  <Formula> (470)
C30H30F2N6O3

>  <MolWeight> (470)
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>  <Cat> (470)
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>  <Name> (470)
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>  <Synonyms> (470)
N/A

>  <Target> (470)
Ras

>  <Form> (470)
Free base

>  <CAS> (470)
2296729-00-3

>  <URL> (470)
http://www.selleckchem.com/products/amg510.html

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>  <Mol_ID> (471)
471

>  <Formula> (471)
C32H35ClFN7O2

>  <MolWeight> (471)
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>  <Cat> (471)
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>  <Synonyms> (471)
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>  <Target> (471)
Ras

>  <Form> (471)
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>  <CAS> (471)
2326521-71-3

>  <URL> (471)
http://www.selleckchem.com/products/mrtx849.html

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M  END
>  <Mol_ID> (472)
473

>  <Formula> (472)
C28H44N4O8

>  <MolWeight> (472)
564.67096

>  <Cat> (472)
S8939

>  <Name> (472)
Mizagliflozin (KWA 0711)

>  <Synonyms> (472)
N/A

>  <Target> (472)
SGLT

>  <Form> (472)
Free base

>  <CAS> (472)
666843-10-3

>  <URL> (472)
http://www.selleckchem.com/products/mizagliflozin.html

$$$$

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M  END
>  <Mol_ID> (473)
474

>  <Formula> (473)
C30H30F2N6O3

>  <MolWeight> (473)
560.5944064

>  <Cat> (473)
S8955

>  <Name> (473)
Sotorasib (AMG510) racemate

>  <Synonyms> (473)
N/A

>  <Target> (473)
Ras

>  <Form> (473)
Free base

>  <CAS> (473)
2252403-56-6

>  <URL> (473)
http://www.selleckchem.com/products/amg-510-racemate.html

$$$$

csChFnd80/11272415532D

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M  END
>  <Mol_ID> (474)
475

>  <Formula> (474)
C31H28N6O2

>  <MolWeight> (474)
516.59302

>  <Cat> (474)
S8959

>  <Name> (474)
BI-2852

>  <Synonyms> (474)
N/A

>  <Target> (474)
Ras

>  <Form> (474)
Free base

>  <CAS> (474)
2375482-51-0

>  <URL> (474)
http://www.selleckchem.com/products/bi-2852.html

$$$$

csChFnd80/11272415532D

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   15.6890   11.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3841   12.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5588   14.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 40  1  0  0  0  0
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 10 17  1  0  0  0  0
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 16 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 32  2  0  0  0  0
 25 35  1  0  0  0  0
 26 37  1  0  0  0  0
 27 29  2  0  0  0  0
 27 36  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 33 34  2  0  0  0  0
 33 38  1  0  0  0  0
 35 36  2  0  0  0  0
 37 39  2  0  0  0  0
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 39 43  1  0  0  0  0
 40 44  2  0  0  0  0
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 42 47  2  0  0  0  0
 43 45  2  0  0  0  0
 44 45  1  0  0  0  0
 46 48  2  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (475)
476

>  <Formula> (475)
C36H41Cl2F3N6O2

>  <MolWeight> (475)
717.6509496

>  <Cat> (475)
E1157

>  <Name> (475)
Pan-RAS-IN-1

>  <Target> (475)
Ras

>  <Form> (475)
Free base

>  <CAS> (475)
1835283-94-7

>  <URL> (475)
http://www.selleckchem.com/products/pan-ras-in-1.html

$$$$

csChFnd80/11272415532D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  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
    2.4249    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   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
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2617    1.9670    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (476)
477

>  <Formula> (476)
C8H10ClNO4

>  <MolWeight> (476)
219.6223

>  <Cat> (476)
E1257

>  <Name> (476)
(R,S)-3,5-DHPG Hydrochloride

>  <Synonyms> (476)
DHPG, Dihydroxy phenylglycine

>  <Target> (476)
GluR

>  <Form> (476)
Hydrochloride

>  <CAS> (476)
19641-83-9

>  <URL> (476)
https://www.selleckchem.com/products/-r-s--3-5-dhpg.html

$$$$

csChFnd80/11272415532D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    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
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  7 17  2  0  0  0  0
  8 18  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (477)
478

>  <Formula> (477)
C8H4N4O6

>  <MolWeight> (477)
252.14056

>  <Cat> (477)
E1259

>  <Name> (477)
DNQX

>  <Synonyms> (477)
FG 9041

>  <Target> (477)
Calcium Channel,GluR

>  <Form> (477)
Free base

>  <CAS> (477)
2379-57-9

>  <URL> (477)
https://www.selleckchem.com/products/dnqx.html

$$$$

csChFnd80/11272415532D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    2.4248   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    7.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 32  1  0  0  0  0
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 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (478)
479

>  <Formula> (478)
C20H13ClF2N4O4S

>  <MolWeight> (478)
478.8564264

>  <Cat> (478)
E2375

>  <Name> (478)
PI3K/mTOR Inhibitor-2

>  <Target> (478)
mTOR,PI3K

>  <Form> (478)
Free base

>  <CAS> (478)
1848242-58-9

>  <URL> (478)
https://www.selleckchem.com/products/pi3k-mtor-inhibitor-2.html

$$$$
Fasoracetam
csChFnd80/11272415532D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.0012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3350    2.3101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.4959    3.8416    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
  1  9  1  0  0  0  0
  3  7  2  0  0  0  0
  4  1  1  1  0  0  0
  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  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 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
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (479)
480

>  <Formula> (479)
C10H16N2O2

>  <MolWeight> (479)
196.24624

>  <Cat> (479)
E1773

>  <Name> (479)
Fasoracetam (NS 105)

>  <Synonyms> (479)
NS 105

>  <Target> (479)
GluR

>  <Form> (479)
Free base

>  <CAS> (479)
110958-19-5

>  <URL> (479)
https://www.selleckchem.com/products/fasoracetam-ns-105.html

$$$$
1-[4-[Bis(4-chlorophenyl)methyl]-1-piperazinyl]-3-nitro-1,2-propanedione 2-oxime
csChFnd80/11272415532D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.3348    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6673    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  3  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
 11 24  1  0  0  0  0
 12 30  1  0  0  0  0
 13 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 18  1  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 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 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  CFW   7 B_NG_STER 3
M  END
>  <Mol_ID> (480)
481

>  <Formula> (480)
C20H20Cl2N4O4

>  <MolWeight> (480)
451.3032

>  <Cat> (480)
E1375

>  <Name> (480)
JKE-1674

>  <Target> (480)
Peroxidases

>  <Form> (480)
free base

>  <CAS> (480)
2421119-60-8

>  <URL> (480)
https://www.selleckchem.com/products/jke-1674.html

$$$$
(Â±)-Ibotenic acid
csChFnd80/11272415532D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.6673    5.1556    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3336    5.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.9256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    7.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214    2.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132    2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8973    1.2459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4373    1.2459    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  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (481)
482

>  <Formula> (481)
C5H6N2O4

>  <MolWeight> (481)
158.11214

>  <Cat> (481)
E1256

>  <Name> (481)
Ibotenic acid

>  <Synonyms> (481)
(RS)-Ibotenic acid; DL-Ibotenic acid

>  <Target> (481)
Others

>  <Form> (481)
free base

>  <CAS> (481)
2552-55-8

>  <URL> (481)
https://www.selleckchem.com/products/ibotenicacid.html

$$$$
N-Acetyl-L-tryptophyl-6-diazo-5-oxo-L-norleucine 1-methylethyl ester
csChFnd80/11272415532D

 32 33  0  0  0  0  0  0  0  0999 V2000
    4.0010    5.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.7709    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3348    7.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    7.5409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    9.0810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.7709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    9.8510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    7.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685   11.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    9.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   12.1610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022   12.1610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    9.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   13.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    9.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685   14.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010   14.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    9.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    7.5409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    9.0810    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6707    8.3109    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.4958    2.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    4.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0021    2.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4653    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417    5.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7721    3.9428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4781    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9412    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4475    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  6  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (482)
483

>  <Formula> (482)
C22H27N5O5

>  <MolWeight> (482)
441.48028

>  <Cat> (482)
E1203

>  <Name> (482)
Sirpiglenastat

>  <Synonyms> (482)
DRP-104

>  <Target> (482)
Glutaminase

>  <Form> (482)
Free base

>  <CAS> (482)
2079939-05-0

>  <URL> (482)
https://www.selleckchem.com/products/sirpiglenastat.html

$$$$
