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212631-79-3

>  <URL> (3)
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$$$$
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391210-10-9

>  <URL> (4)
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475207-59-1

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TGF-beta/Smad

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301836-41-9

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p38 MAPK 

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Free Base

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152121-47-6

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http://www.selleckchem.com/products/SB-203580.html

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

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Raf 

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Free Base

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918505-84-7

>  <URL> (10)
http://www.selleckchem.com/products/PLX-4720.html

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>  <Formula> (11)
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N/A

>  <Target> (11)
MEK

>  <Form> (11)
Free Base

>  <CAS> (11)
167869-21-8

>  <URL> (11)
http://www.selleckchem.com/products/PD-98059.html

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BAY 73-4506

>  <Target> (12)
c-Kit, Raf, VEGFR

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Free Base

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755037-03-7

>  <URL> (12)
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Raf 

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Free Base

>  <CAS> (13)
918504-65-1

>  <URL> (13)
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1094614-84-2

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http://www.selleckchem.com/products/BIX-02188.html

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M  END
>  <Mol_ID> (23)
26

>  <Formula> (23)
C16H13BrF3IN2O4

>  <MolWeight> (23)
561.0890996

>  <Cat> (23)
S1568

>  <Name> (23)
PD318088

>  <Synonyms> (23)
N/A

>  <Target> (23)
MEK 

>  <Form> (23)
Free Base

>  <CAS> (23)
391210-00-7 

>  <URL> (23)
http://www.selleckchem.com/products/PD318088.html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (24)
27

>  <Formula> (24)
C31H37N5O3

>  <MolWeight> (24)
527.65718

>  <Cat> (24)
S1574

>  <Name> (24)
BIRB 796 (Doramapimod)

>  <Synonyms> (24)
N/A

>  <Target> (24)
p38 MAPK

>  <Form> (24)
Free Base

>  <CAS> (24)
285983-48-4

>  <URL> (24)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Methylthiouracil.cdx
csChFnd80/12082516502D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (25)
28

>  <Formula> (25)
C5H6N2OS

>  <MolWeight> (25)
142.17894

>  <Cat> (25)
S3138

>  <Name> (25)
Methylthiouracil

>  <Synonyms> (25)
N/A

>  <Target> (25)
Others

>  <Form> (25)
Free Base

>  <CAS> (25)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (26)
29

>  <Formula> (26)
C4H12ClN5

>  <MolWeight> (26)
165.62458

>  <Cat> (26)
S1950

>  <Name> (26)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (26)
Glucophage, Riomet, Diabex

>  <Target> (26)
Others

>  <Form> (26)
Hydrochloride

>  <CAS> (26)
1115-70-4

>  <URL> (26)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Lonafarnib.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (27)
31

>  <Formula> (27)
C27H31Br2ClN4O2

>  <MolWeight> (27)
638.82164

>  <Cat> (27)
S2797

>  <Name> (27)
Lonafarnib (SCH66336)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Transferase

>  <Form> (27)
Free Base

>  <CAS> (27)
193275-84-2

>  <URL> (27)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

$$$$
GSK2118436.cdx
csChFnd80/12082516502D

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S2807

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Dabrafenib (GSK2118436)

>  <Synonyms> (28)
N/A 

>  <Target> (28)
Raf

>  <Form> (28)
Free Base

>  <CAS> (28)
1195765-45-7

>  <URL> (28)
http://www.selleckchem.com/products/dabrafenib-gsk2118436a.html

$$$$
AZD8330.cdx
csChFnd80/12082516502D

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33

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C16H17FIN3O4

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461.2267532

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S2134

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AZD8330

>  <Synonyms> (29)
N/A 

>  <Target> (29)
MEK

>  <Form> (29)
Free Base

>  <CAS> (29)
869357-68-6

>  <URL> (29)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
raf265.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (30)
34

>  <Formula> (30)
C24H16F6N6O

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518.4138592

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S2161

>  <Name> (30)
RAF265 (CHIR-265)

>  <Synonyms> (30)
N/A 

>  <Target> (30)
Raf, VEGFR

>  <Form> (30)
Free Base

>  <CAS> (30)
927880-90-8

>  <URL> (30)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$
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csChFnd80/12082516502D

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>  <Mol_ID> (31)
35

>  <Formula> (31)
C26H20F3N7O

>  <MolWeight> (31)
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>  <Cat> (31)
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>  <Name> (31)
NVP-BHG712

>  <Synonyms> (31)
N/A

>  <Target> (31)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (31)
Free Base

>  <CAS> (31)
940310-85-0

>  <URL> (31)
http://www.selleckchem.com/products/NVP-BHG712.html

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GSK2118436 

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Raf

>  <Form> (32)
Free Base

>  <CAS> (32)
405554-55-4 

>  <URL> (32)
http://www.selleckchem.com/products/SB590885.html

$$$$
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(-)-Epigallocatechin gallate

>  <Synonyms> (33)
EGCG

>  <Target> (33)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (33)
Free Base

>  <CAS> (33)
989-51-5

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

$$$$
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>  <Mol_ID> (34)
38

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C15H16O9

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Aesculin (Esculin)

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Esculin

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Others

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Free Base

>  <CAS> (34)
531-75-9

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

$$$$
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Apigenin

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N/A

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P450

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Free Base

>  <CAS> (35)
520-36-5

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

$$$$
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   10.9077    8.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    8.7249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953   10.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (36)
40

>  <Formula> (36)
C30H48O5

>  <MolWeight> (36)
488.69912

>  <Cat> (36)
S2266

>  <Name> (36)
Asiatic acid

>  <Synonyms> (36)
N/A

>  <Target> (36)
p38 MAPK

>  <Form> (36)
Free Base

>  <CAS> (36)
464-92-6

>  <URL> (36)
http://www.selleckchem.com/products/Asiatic-acid.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/12082516502D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   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
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   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
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   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
    5.6214    0.0802    0.0000 Cl  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
  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
  8 11  1  0  0  0  0
 11 12  1  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
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (37)
41

>  <Formula> (37)
C20H18ClNO4

>  <MolWeight> (37)
371.81422

>  <Cat> (37)
S2271

>  <Name> (37)
Berberine chloride

>  <Synonyms> (37)
N/A

>  <Target> (37)
Antifection

>  <Form> (37)
chloride

>  <CAS> (37)
633-65-8

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

$$$$
Glycyrrhizic acid.cdx
csChFnd80/12082516502D

 61 67  0  0  0  0  0  0  0  0999 V2000
    9.6869    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7490    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7490    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    9.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9615   10.4879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3863   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3863   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9615   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    9.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3763   12.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639   14.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    5.5903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1840   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7490    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  2 23  1  1  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 18 26  1  1  0  0  0
 17 27  1  1  0  0  0
 21 28  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 14 31  2  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 21 40  1  6  0  0  0
 11 41  1  6  0  0  0
 10 42  1  6  0  0  0
  4 43  1  6  0  0  0
 37 44  1  6  0  0  0
 39 45  1  6  0  0  0
 45 46  1  0  0  0  0
 46 47  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 46  1  0  0  0  0
 36 52  1  1  0  0  0
 38 53  1  1  0  0  0
 50 54  1  1  0  0  0
 48 55  1  1  0  0  0
 49 56  1  6  0  0  0
 51 57  1  6  0  0  0
 55 58  1  0  0  0  0
 55 59  2  0  0  0  0
 52 60  1  0  0  0  0
 52 61  2  0  0  0  0
M  END
>  <Mol_ID> (38)
42

>  <Formula> (38)
C42H62O16

>  <MolWeight> (38)
822.93208

>  <Cat> (38)
S2302

>  <Name> (38)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Synonyms> (38)
N/A

>  <Target> (38)
Others

>  <Form> (38)
Free Base

>  <CAS> (38)
1405-86-3

>  <URL> (38)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

$$$$
Hesperetin.cdx
csChFnd80/12082516502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.1075    5.5927    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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (39)
43

>  <Formula> (39)
C16H14O6

>  <MolWeight> (39)
302.27876

>  <Cat> (39)
S2308

>  <Name> (39)
Hesperetin

>  <Synonyms> (39)
N/A

>  <Target> (39)
Histamine Receptor

>  <Form> (39)
Free Base

>  <CAS> (39)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/12082516502D

 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
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    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (40)
44

>  <Formula> (40)
C18H18O2

>  <MolWeight> (40)
266.33432

>  <Cat> (40)
S2310

>  <Name> (40)
Honokiol

>  <Synonyms> (40)
N/A

>  <Target> (40)
Akt, MEK

>  <Form> (40)
Free Base

>  <CAS> (40)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/12082516502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (41)
45

>  <Formula> (41)
C15H10O8

>  <MolWeight> (41)
318.2351

>  <Cat> (41)
S2326

>  <Name> (41)
Myricetin (Cannabiscetin)

>  <Synonyms> (41)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (41)
NULL

>  <Form> (41)
Free Base

>  <CAS> (41)
529-44-2

>  <URL> (41)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/12082516502D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  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
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    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  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (42)
46

>  <Formula> (42)
C21H20O12

>  <MolWeight> (42)
464.3763

>  <Cat> (42)
S2327

>  <Name> (42)
Myricitrin (Myricitrine)

>  <Synonyms> (42)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (42)
PKC

>  <Form> (42)
Free Base

>  <CAS> (42)
17912-87-7

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

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/12082516502D

 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
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    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
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 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (43)
47

>  <Formula> (43)
C18H29ClN2O

>  <MolWeight> (43)
324.88866

>  <Cat> (43)
S2454

>  <Name> (43)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (43)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (43)
Sodium Channel

>  <Form> (43)
Hydrochloride

>  <CAS> (43)
18010-40-7

>  <URL> (43)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
TAK733.cdx
csChFnd80/12082516502D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (48)
53

>  <Formula> (48)
C22H19BrF2N2O3

>  <MolWeight> (48)
477.2986664

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S2726

>  <Name> (48)
PH-797804

>  <Synonyms> (48)
N/A

>  <Target> (48)
p38 MAPK

>  <Form> (48)
Free Base

>  <CAS> (48)
586379-66-0

>  <URL> (48)
http://www.selleckchem.com/products/ph-797804.html

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/12082516502D

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>  <Mol_ID> (49)
54

>  <Formula> (49)
C14H22N2O

>  <MolWeight> (49)
234.33728

>  <Cat> (49)
S1357

>  <Name> (49)
Lidocaine (Alphacaine)

>  <Synonyms> (49)
Alphacaine, Xylocaine, lignocaine

>  <Target> (49)
Histamine Receptor

>  <Form> (49)
Free Base

>  <CAS> (49)
137-58-6

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

$$$$
Sodium salicylate.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (50)
55

>  <Formula> (50)
C7H6NaO3

>  <MolWeight> (50)
161.11051

>  <Cat> (50)
S3137

>  <Name> (50)
Sodium salicylate

>  <Synonyms> (50)
N/A 

>  <Target> (50)
NF-¦ÊB

>  <Form> (50)
sodium salt

>  <CAS> (50)
54-21-7

>  <URL> (50)
http://www.selleckchem.com/products/sodium-salicylate.html

$$$$
WHI-P154.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (51)
56

>  <Formula> (51)
C16H14BrN3O3

>  <MolWeight> (51)
376.20466

>  <Cat> (51)
S2867

>  <Name> (51)
WHI-P154

>  <Synonyms> (51)
N/A

>  <Target> (51)
JAK, EGFR

>  <Form> (51)
Free Base

>  <CAS> (51)
211555-04-3

>  <URL> (51)
http://www.selleckchem.com/products/whi-p154.html

$$$$
BI-D1870.cdx
csChFnd80/12082516502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (52)
57

>  <Formula> (52)
C19H23F2N5O2

>  <MolWeight> (52)
391.4150264

>  <Cat> (52)
S2843

>  <Name> (52)
BI-D1870

>  <Synonyms> (52)
N/A

>  <Target> (52)
S6 Kinase

>  <Form> (52)
Free Base

>  <CAS> (52)
501437-28-1

>  <URL> (52)
http://www.selleckchem.com/products/bi-d1870.html

$$$$
TAK 715.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (53)
58

>  <Formula> (53)
C24H21N3OS

>  <MolWeight> (53)
399.50804

>  <Cat> (53)
S2928

>  <Name> (53)
TAK 715

>  <Synonyms> (53)
N/A 

>  <Target> (53)
p38 MAPK

>  <Form> (53)
Free Base

>  <CAS> (53)
303162-79-0

>  <URL> (53)
http://www.selleckchem.com/products/tak-715.html

$$$$
PF-04708671.cdx
csChFnd80/12082516502D

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1255517-76-0

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http://www.selleckchem.com/products/pf-4708671.html

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Free Base

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1410880-22-6

>  <URL> (55)
http://www.selleckchem.com/products/jnk-in-8.html

$$$$
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62

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p38 MAPK 

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Free Base

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209410-46-8

>  <URL> (56)
http://www.selleckchem.com/products/VX-745.html

$$$$
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>  <Cat> (57)
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>  <Name> (57)
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>  <Synonyms> (57)
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>  <CAS> (57)
923032-37-5

>  <URL> (57)
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$$$$
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csChFnd80/12082516502D

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    8.4660    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    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
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (58)
64

>  <Formula> (58)
C14H23ClN2O

>  <MolWeight> (58)
270.79822

>  <Cat> (58)
S4667

>  <Name> (58)
Lidocaine hydrochloride

>  <Synonyms> (58)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (58)
Others

>  <Form> (58)
hydrochloride

>  <CAS> (58)
73-78-9

>  <URL> (58)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/12082516502D

 38 41  0  0  0  0  0  0  0  0999 V2000
    7.3740    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1539    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3740    4.9040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7061    3.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1539    1.4205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7061    5.3285    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1362    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    4.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    2.8115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9278    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    0.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    6.6489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7077    1.4029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7077    4.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5334    6.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7438    9.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8302   10.8281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8675   11.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8811   11.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7810    9.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3976    2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1539    4.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    0.0000    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 35  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 36  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  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 37  1  6  0  0  0
  6 13  1  0  0  0  0
  6 14  1  1  0  0  0
  7 15  1  0  0  0  0
  7 10  1  1  0  0  0
  8 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 13 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 38  1  1  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 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
 29 30  1  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
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (59)
65

>  <Formula> (59)
C26H45NO6S

>  <MolWeight> (59)
499.7036

>  <Cat> (59)
S3654

>  <Name> (59)
Tauroursodeoxycholic Acid

>  <Synonyms> (59)
N/A

>  <Target> (59)
Others

>  <Form> (59)
free base

>  <CAS> (59)
14605-22-2

>  <URL> (59)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/12082516502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  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
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (60)
66

>  <Formula> (60)
C16H16O4

>  <MolWeight> (60)
272.29584

>  <Cat> (60)
S3940

>  <Name> (60)
3'-Hydroxypterostilbene

>  <Synonyms> (60)
3'-HPT

>  <Target> (60)
Others

>  <Form> (60)
free base

>  <CAS> (60)
475231-21-1

>  <URL> (60)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/12082516502D

 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
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   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
    9.7107   10.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0870    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  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> (61)
67

>  <Formula> (61)
C21H20O11

>  <MolWeight> (61)
448.3769

>  <Cat> (61)
S3824

>  <Name> (61)
Quercitrin

>  <Synonyms> (61)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (61)
Others

>  <Form> (61)
free base

>  <CAS> (61)
522-12-3

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

$$$$
S3840 Baohuoside I.cdx
csChFnd80/12082516502D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.7000    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
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    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (62)
68

>  <Formula> (62)
C27H30O10

>  <MolWeight> (62)
514.5211

>  <Cat> (62)
S3840

>  <Name> (62)
Baohuoside I

>  <Synonyms> (62)
Icariside II

>  <Target> (62)
ROS

>  <CAS> (62)
113558-15-9

>  <URL> (62)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/12082516502D

 72 78  0  0  0  0  0  0  0  0999 V2000
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 49 57  1  6  0  0  0
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 35 64  1  1  0  0  0
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M  END
>  <Mol_ID> (63)
69

>  <Formula> (63)
C48H82O18

>  <MolWeight> (63)
947.15388

>  <Cat> (63)
S3811

>  <Name> (63)
Ginsenoside Re

>  <Synonyms> (63)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (63)
Others

>  <Form> (63)
free base

>  <CAS> (63)
52286-59-6

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

$$$$
S3892 Isopsoralen.cdx
csChFnd80/12082516502D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.6531    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (64)
70

>  <Formula> (64)
C11H6O3

>  <MolWeight> (64)
186.16354

>  <Cat> (64)
S3892

>  <Name> (64)
Isopsoralen

>  <Synonyms> (64)
angelicin

>  <Target> (64)
Immunology & Inflammation related

>  <Form> (64)
free base

>  <CAS> (64)
523-50-2

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/12082516502D

 58 65  0  0  0  0  0  0  0  0999 V2000
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71

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C41H68O14

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Astragaloside IV

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AST-IV, AS-IV

>  <Target> (65)
Others

>  <Form> (65)
free base

>  <CAS> (65)
84687-43-4

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

$$$$
LY364947.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (66)
72

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C17H12N4

>  <MolWeight> (66)
272.30398

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S2805

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LY364947

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N/A

>  <Target> (66)
TGF-beta/Smad

>  <Form> (66)
Free Base

>  <CAS> (66)
396129-53-6

>  <URL> (66)
http://www.selleckchem.com/products/ly364947.html

$$$$
P505-15.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (67)
73

>  <Formula> (67)
C19H24ClN9O

>  <MolWeight> (67)
429.90656

>  <Cat> (67)
S8032

>  <Name> (67)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (67)
N/A

>  <Target> (67)
Syk

>  <Form> (67)
Hydrochloride

>  <CAS> (67)
1370261-97-4,1370261-96-3(free base)

>  <URL> (67)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
S4990 TBHQ.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (68)
74

>  <Formula> (68)
C10H14O2

>  <MolWeight> (68)
166.21696

>  <Cat> (68)
S4990

>  <Name> (68)
TBHQ

>  <Synonyms> (68)
Tert-butylhydroquinone

>  <Target> (68)
Nrf2

>  <Form> (68)
free base

>  <CAS> (68)
1948-33-0

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (69)
75

>  <Formula> (69)
C18H16O7

>  <MolWeight> (69)
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>  <Cat> (69)
S4953

>  <Name> (69)
Usnic acid

>  <Synonyms> (69)
Usniacin

>  <Target> (69)
Others

>  <Form> (69)
free base

>  <CAS> (69)
125-46-2

>  <URL> (69)
http://selleckchem.com/products/usnic-acid.html

$$$$
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csChFnd80/12082516502D

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>  <Mol_ID> (70)
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Trans-Zeatin

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(E)-Zeatin

>  <Target> (70)
Others

>  <CAS> (70)
1637-39-4

>  <URL> (70)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/12082516502D

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77

>  <Formula> (71)
C9H9N

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131.17446

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S4959

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Skatole

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3-methylindole, Scatole

>  <Target> (71)
Anti-infection

>  <CAS> (71)
83-34-1

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (72)
78

>  <Formula> (72)
C47H80O18

>  <MolWeight> (72)
933.1273

>  <Cat> (72)
S3785

>  <Name> (72)
Notoginsenoside R1

>  <Synonyms> (72)
Sanchinoside R1

>  <Target> (72)
Others

>  <Form> (72)
free base

>  <CAS> (72)
80418-24-2

>  <URL> (72)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (73)
79

>  <Formula> (73)
C15H8Br2INO2

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>  <Cat> (73)
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GW5074

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N/A

>  <Target> (73)
Raf

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free base

>  <CAS> (73)
220904-83-6

>  <URL> (73)
http://selleckchem.com/products/gw5074.html

$$$$

csChFnd80/12082516502D

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862507-23-1

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>  <Mol_ID> (78)
84

>  <Formula> (78)
C16H14FIN4O3

>  <MolWeight> (78)
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>  <Cat> (78)
S7553

>  <Name> (78)
GDC-0623

>  <Synonyms> (78)
G-868

>  <Target> (78)
MEK

>  <Form> (78)
Free Base

>  <CAS> (78)
1168091-68-6

>  <URL> (78)
http://www.selleckchem.com/products/gdc-0623.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/12082516502D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (79)
85

>  <Formula> (79)
C26H44NNaO6S

>  <MolWeight> (79)
521.68543

>  <Cat> (79)
S7896

>  <Name> (79)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (79)
N/A

>  <Target> (79)
Antifection

>  <Form> (79)
sodium salt

>  <CAS> (79)
35807-85-3

>  <URL> (79)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
SB239063.cdx
csChFnd80/12082516502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (80)
86

>  <Formula> (80)
C20H21FN4O2

>  <MolWeight> (80)
368.4047432

>  <Cat> (80)
S7741

>  <Name> (80)
SB239063

>  <Synonyms> (80)
N/A

>  <Target> (80)
p38 MAPK

>  <Form> (80)
Free Base

>  <CAS> (80)
193551-21-2

>  <URL> (80)
http://www.selleckchem.com/products/sb239063.html

$$$$
ONC201.cdx
csChFnd80/12082516502D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (81)
87

>  <Formula> (81)
C24H26N4O

>  <MolWeight> (81)
386.48944

>  <Cat> (81)
S7963

>  <Name> (81)
TIC10

>  <Synonyms> (81)
N/A

>  <Target> (81)
Akt

>  <Form> (81)
Free Base

>  <CAS> (81)
1616632-77-9

>  <URL> (81)
http://www.selleck.cn/products/tic-10.html

$$$$

csChFnd80/12082516502D

 78 85  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (82)
88

>  <Formula> (82)
C52H86O21

>  <MolWeight> (82)
1047.22664

>  <Cat> (82)
S5151

>  <Name> (82)
Gypenoside

>  <Synonyms> (82)
N/A

>  <Target> (82)
Others

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

$$$$
S3813 Bakuchiol.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (83)
89

>  <Formula> (83)
C18H24O

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256.38256

>  <Cat> (83)
S3813

>  <Name> (83)
Bakuchiol

>  <Synonyms> (83)
(S)-(+)-Bakuchiol

>  <Target> (83)
Immunology & Inflammation related

>  <Form> (83)
free base

>  <CAS> (83)
10309-37-2

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

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/12082516502D

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>  <Mol_ID> (84)
90

>  <Formula> (84)
C17H15BrF2N4O3

>  <MolWeight> (84)
441.2268064

>  <Cat> (84)
S7007

>  <Name> (84)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (84)
N/A

>  <Target> (84)
MEK

>  <Form> (84)
Free Base

>  <CAS> (84)
606143-89-9

>  <URL> (84)
http://www.selleckchem.com/products/mek162.html

$$$$
TIC10.cdx
csChFnd80/12082516502D

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   12.1244    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> (85)
91

>  <Formula> (85)
C24H26N4O

>  <MolWeight> (85)
386.48944

>  <Cat> (85)
S7127

>  <Name> (85)
TIC10 analogue

>  <Synonyms> (85)
TRAIL-inducing Compound 10

>  <Target> (85)
Akt

>  <Form> (85)
Free Base

>  <CAS> (85)
41276-02-2

>  <URL> (85)
http://www.selleckchem.com/products/tic10.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/12082516502D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (86)
92

>  <Formula> (86)
C26H27N5O5S2

>  <MolWeight> (86)
553.65308

>  <Cat> (86)
S7207

>  <Name> (86)
Ro 31-8220 Mesylate

>  <Synonyms> (86)
Bisindolylmaleimide IX Mesylate

>  <Target> (86)
PKC

>  <Form> (86)
Mesylate

>  <CAS> (86)
138489-18-6

>  <URL> (86)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Skepinone-L.cdx
csChFnd80/12082516502D

 31 34  0  0  0  0  0  0  0  0999 V2000
   10.8858    4.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7286    4.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (87)
93

>  <Formula> (87)
C24H21F2NO4

>  <MolWeight> (87)
425.4246464

>  <Cat> (87)
S7214

>  <Name> (87)
Skepinone-L

>  <Synonyms> (87)
N/A

>  <Target> (87)
p38 MAPK

>  <Form> (87)
Free Base

>  <CAS> (87)
1221485-83-1

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

$$$$
Sorafenib.cdx
csChFnd80/12082516502D

 32 34  0  0  0  0  0  0  0  0999 V2000
   12.1320    7.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17  2  1  0  0  0  0
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 14  3  2  0  0  0  0
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 15  4  2  0  0  0  0
 21  4  1  0  0  0  0
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 20  8  2  0  0  0  0
 26  8  1  0  0  0  0
 22  9  1  0  0  0  0
 13 10  1  0  0  0  0
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 31 28  2  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (88)
95

>  <Formula> (88)
C21H16ClF3N4O3

>  <MolWeight> (88)
464.8249496

>  <Cat> (88)
S7397

>  <Name> (88)
Sorafenib

>  <Synonyms> (88)
BAY 43-9006

>  <Target> (88)
Raf

>  <Form> (88)
Free Base

>  <CAS> (88)
284461-73-0

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

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/12082516502D

 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
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Rho

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MNK

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Free Base

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522629-08-9

>  <URL> (90)
http://www.selleckchem.com/products/cgp57380.html

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N/A

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EGFR

>  <Form> (91)
Free Base

>  <CAS> (91)
1421373-65-0

>  <URL> (91)
http://www.selleckchem.com/products/azd9291.html

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M  END
>  <Mol_ID> (93)
101

>  <Formula> (93)
C18H13N7

>  <MolWeight> (93)
327.34272

>  <Cat> (93)
S7524

>  <Name> (93)
FR 180204

>  <Synonyms> (93)
N/A

>  <Target> (93)
ERK

>  <Form> (93)
Free Base

>  <CAS> (93)
865362-74-9

>  <URL> (93)
http://www.selleckchem.com/products/fr180204.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (94)
102

>  <Formula> (94)
C16H21ClIN3O4S

>  <MolWeight> (94)
513.77811

>  <Cat> (94)
S7332

>  <Name> (94)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (94)
N/A

>  <Target> (94)
Rho

>  <Form> (94)
Free Base

>  <CAS> (94)
1469337-91-4

>  <URL> (94)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
deltarasin.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (95)
103

>  <Formula> (95)
C40H37N5O

>  <MolWeight> (95)
603.75468

>  <Cat> (95)
S7224

>  <Name> (95)
Deltarasin

>  <Synonyms> (95)
N/A

>  <Target> (95)
PDE

>  <Form> (95)
Free Base

>  <CAS> (95)
1440898-61-2

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

$$$$
6H05.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (96)
104

>  <Formula> (96)
C22H31ClF3N3O4S3

>  <MolWeight> (96)
590.1424496

>  <Cat> (96)
S7330

>  <Name> (96)
6H05

>  <Synonyms> (96)
N/A

>  <Target> (96)
Rho

>  <Form> (96)
Free Base

>  <CAS> (96)
No

>  <URL> (96)
http://www.selleckchem.com/products/6h05.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/12082516502D

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Rho

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1469337-95-8

>  <URL> (97)
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Others

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1229582-33-5

>  <URL> (98)
http://www.selleckchem.com/products/urmc-099.html

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JNK

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no

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http://www.selleckchem.com/products/dtp3.html

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71203-35-5

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Free Base

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162520-00-5

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

$$$$
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S6 Kinase

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Free Base

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1082949-68-5

>  <URL> (104)
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22862-76-6

>  <URL> (105)
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>  <Mol_ID> (106)
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C36H46N8O3

>  <MolWeight> (106)
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ERK5-IN-1

>  <Synonyms> (106)
N/A

>  <Target> (106)
ERK

>  <Form> (106)
Free Base

>  <CAS> (106)
1435488-37-1

>  <URL> (106)
http://www.selleckchem.com/products/erk5-in-1.html

$$$$
ARRY-614.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (107)
117

>  <Formula> (107)
C31H33FN6O3

>  <MolWeight> (107)
556.6305232

>  <Cat> (107)
S7799

>  <Name> (107)
Pexmetinib (ARRY-614)

>  <Synonyms> (107)
N/A

>  <Target> (107)
p38 MAPK

>  <Form> (107)
Free Base

>  <CAS> (107)
945614-12-0

>  <URL> (107)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (108)
118

>  <Formula> (108)
C23H29FN6O

>  <MolWeight> (108)
424.5143632

>  <Cat> (108)
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>  <Name> (108)
LY3009120

>  <Synonyms> (108)
N/A

>  <Target> (108)
Raf

>  <Form> (108)
Free Base

>  <CAS> (108)
1454682-72-4

>  <URL> (108)
http://www.selleckchem.com/products/ly3009120.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/12082516502D

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Cobimetinib (GDC-0973, RG7420)

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XL518

>  <Target> (109)
MEK

>  <Form> (109)
Free Base

>  <CAS> (109)
934660-93-2

>  <URL> (109)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
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ERK

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Free Base

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869886-67-9

>  <URL> (110)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

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Estrogen/progestogen Receptor

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Free Base

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58749-22-7

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

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181223-80-3

>  <URL> (112)
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1627709-94-7

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1627710-50-2

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http://www.selleckchem.com/products/bi-78d3.html

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Caspase

>  <Form> (123)
Free Base

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175026-96-7

>  <URL> (123)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
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Rho

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Free Base

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436133-68-5

>  <URL> (124)
http://www.selleckchem.com/products/kobe0065.html

$$$$
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Caspase

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>  <URL> (125)
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>  <Mol_ID> (126)
136

>  <Formula> (126)
C28H28ClN3O3

>  <MolWeight> (126)
489.99322

>  <Cat> (126)
S7959

>  <Name> (126)
SIS3 HCl

>  <Synonyms> (126)
N/A

>  <Target> (126)
TGF-beta/Smad

>  <Form> (126)
hydrochloride

>  <CAS> (126)
521984-48-5

>  <URL> (126)
http://www.selleckchem.com/products/sis3.html

$$$$
Necrosulfonamide.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (127)
137

>  <Formula> (127)
C18H15N5O6S2

>  <MolWeight> (127)
461.4716

>  <Cat> (127)
S8251

>  <Name> (127)
Necrosulfonamide

>  <Synonyms> (127)
N/A

>  <Target> (127)
Others

>  <Form> (127)
Free Base

>  <CAS> (127)
1360614-48-7

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

$$$$
APS-2-79.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (128)
138

>  <Formula> (128)
C23H22ClN3O3

>  <MolWeight> (128)
423.89208

>  <Cat> (128)
S8355

>  <Name> (128)
APS-2-79 HCl

>  <Synonyms> (128)
N/A

>  <Target> (128)
MEK

>  <Form> (128)
hydrochloride

>  <CAS> (128)
2002381-31-7

>  <URL> (128)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/12082516502D

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>  <Mol_ID> (129)
139

>  <Formula> (129)
C22H15F3N4O2

>  <MolWeight> (129)
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>  <Cat> (129)
S8189

>  <Name> (129)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (129)
N/A

>  <Target> (129)
VEGFR

>  <Form> (129)
Free Base

>  <CAS> (129)
861875-60-7

>  <URL> (129)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (130)
140

>  <Formula> (130)
C19H20F2N4O4

>  <MolWeight> (130)
406.3833064

>  <Cat> (130)
S8125

>  <Name> (130)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (130)
N/A

>  <Target> (130)
p38 MAPK

>  <Form> (130)
Free Base

>  <CAS> (130)
449811-01-2

>  <URL> (130)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OTS514.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (131)
141

>  <Formula> (131)
C21H21ClN2O2S

>  <MolWeight> (131)
400.92164

>  <Cat> (131)
S7652

>  <Name> (131)
OTS514 hydrochloride

>  <Synonyms> (131)
N/A

>  <Target> (131)
TOPK

>  <Form> (131)
hydrochloride

>  <CAS> (131)
1338540-63-8(free base)

>  <URL> (131)
http://www.selleckchem.com/products/ots514.html

$$$$
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csChFnd80/12082516502D

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>  <Mol_ID> (132)
142

>  <Formula> (132)
C17H20N6O2

>  <MolWeight> (132)
340.3797

>  <Cat> (132)
S8275

>  <Name> (132)
eFT-508 (eFT508)

>  <Synonyms> (132)
N/A

>  <Target> (132)
MNK

>  <Form> (132)
Free Base

>  <CAS> (132)
1849590-01-7

>  <URL> (132)
http://www.selleckchem.com/products/eft-508.html

$$$$
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>  <Mol_ID> (133)
143

>  <Formula> (133)
C27H24FN7O3

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>  <Name> (133)
CCT196969

>  <Synonyms> (133)
N/A

>  <Target> (133)
Raf

>  <Form> (133)
Free Base

>  <CAS> (133)
1163719-56-9

>  <URL> (133)
http://www.selleckchem.com/products/cct196969.html

$$$$
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OTS964

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N/A

>  <Target> (134)
Others

>  <Form> (134)
dihydrochloride

>  <CAS> (134)
1338545-07-5(HCl salt)

>  <URL> (134)
http://www.selleckchem.com/products/ots964.html

$$$$
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Tanzisertib(CC-930)

>  <Synonyms> (135)
JNK-930|JNKI-1

>  <Target> (135)
JNK

>  <Form> (135)
hydrochloride

>  <CAS> (135)
899805-25-5 (free base)

>  <URL> (135)
http://www.selleckchem.com/products/cc-930.html

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N/A

>  <Target> (136)
K-Ras(G12C)

>  <Form> (136)
free base

>  <CAS> (136)
1629268-00-3

>  <URL> (136)
http://www.selleckchem.com/products/ars-853.html

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147

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C22H19F4N7O

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AD80

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N/A

>  <Target> (137)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (137)
free base

>  <CAS> (137)
1384071-99-1

>  <URL> (137)
http://www.selleckchem.com/products/ad80.html

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>  <Mol_ID> (138)
148

>  <Formula> (138)
C22H27N7O2S

>  <MolWeight> (138)
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>  <Synonyms> (138)
N/A

>  <Target> (138)
ERK1,ERK2

>  <Form> (138)
free base

>  <CAS> (138)
1951483-29-6

>  <URL> (138)
http://www.selleckchem.com/products/ly3214996.html

$$$$
Takinib.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (139)
150

>  <Formula> (139)
C18H18N4O2

>  <MolWeight> (139)
322.36112

>  <Cat> (139)
S8663

>  <Name> (139)
Takinib

>  <Synonyms> (139)
EDHS-206

>  <Target> (139)
TAK1,IRAK4,IRAK1

>  <Form> (139)
free base

>  <CAS> (139)
1111556-37-6

>  <URL> (139)
http://www.selleckchem.com/products/takinib.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (140)
151

>  <Formula> (140)
C21H17ClF4N4O4

>  <MolWeight> (140)
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>  <Cat> (140)
S5077

>  <Name> (140)
Regorafenib Monohydrate

>  <Synonyms> (140)
N/A

>  <Target> (140)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (140)
monohydrate

>  <CAS> (140)
1019206-88-2

>  <URL> (140)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
RAF709.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (141)
152

>  <Formula> (141)
C28H29F3N4O4

>  <MolWeight> (141)
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>  <Cat> (141)
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>  <Name> (141)
RAF709

>  <Synonyms> (141)
N/A

>  <Target> (141)
Raf

>  <Form> (141)
free base

>  <CAS> (141)
1628838-42-5

>  <URL> (141)
http://selleckchem.com/products/raf709.html

$$$$
Cu-CPT22.cdx
csChFnd80/12082516502D

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   13.1305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5113    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (142)
153

>  <Formula> (142)
C19H22O7

>  <MolWeight> (142)
362.37378

>  <Cat> (142)
S8677

>  <Name> (142)
Cu-CPT22

>  <Synonyms> (142)
N/A

>  <Target> (142)
TLR

>  <Form> (142)
free base

>  <CAS> (142)
1416324-85-0

>  <URL> (142)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/12082516502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    3.6324    4.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1009    1.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  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  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (143)
154

>  <Formula> (143)
C23H26ClN

>  <MolWeight> (143)
351.91224

>  <Cat> (143)
S5279

>  <Name> (143)
Fendiline hydrochloride

>  <Synonyms> (143)
N/A

>  <Target> (143)
Calcium Channel,Ras

>  <Form> (143)
hydrochloride 

>  <CAS> (143)
13636-18-5

>  <URL> (143)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/12082516502D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 12 20  1  1  0  0  0
  9 21  1  1  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
 24 25  1  4  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (144)
155

>  <Formula> (144)
C21H28O2

>  <MolWeight> (144)
312.44582

>  <Cat> (144)
S3792

>  <Name> (144)
Guggulsterone E&Z

>  <Synonyms> (144)
N/A

>  <Target> (144)
FXR

>  <Form> (144)
free base

>  <CAS> (144)
95975-55-6

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

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/12082516502D

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9777    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.1777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9373    5.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    2.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9784    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2152    6.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7847    7.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    7.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1470    8.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7947    8.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8517    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8921    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2236    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    3.4356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5938    3.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1938    2.0356    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  8  2  0  0  0  0
  8  1  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 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
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (145)
156

>  <Formula> (145)
C24H24F3N5O5S3

>  <MolWeight> (145)
615.6680696

>  <Cat> (145)
S5069

>  <Name> (145)
Dabrafenib Mesylate

>  <Synonyms> (145)
GSK2118436 Mesylate

>  <Target> (145)
Raf

>  <Form> (145)
mesylate

>  <CAS> (145)
1195768-06-9

>  <URL> (145)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/12082516502D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
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  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (146)
157

>  <Formula> (146)
C11H12O4

>  <MolWeight> (146)
208.21058

>  <Cat> (146)
S5451

>  <Name> (146)
Ferulic acid methyl ester

>  <Synonyms> (146)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (146)
Immunology & Inflammation related

>  <Form> (146)
free base

>  <CAS> (146)
149567

>  <URL> (146)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/12082516502D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (147)
158

>  <Formula> (147)
C27H30O15

>  <MolWeight> (147)
594.5181

>  <Cat> (147)
S5468

>  <Name> (147)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (147)
Kaempferol 3-neohesperidoside

>  <Target> (147)
Others

>  <Form> (147)
salt

>  <CAS> (147)
40437-72-7

>  <URL> (147)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
UM-164.cdx
csChFnd80/12082516502D

 45 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
159

>  <Formula> (148)
C30H31F3N8O3S

>  <MolWeight> (148)
640.6791496

>  <Cat> (148)
S8706

>  <Name> (148)
UM-164

>  <Synonyms> (148)
N/A

>  <Target> (148)
Src,p38 MAPK

>  <Form> (148)
free base

>  <CAS> (148)
903564-48-7

>  <URL> (148)
http://selleckchem.com/products/um-164.html

$$$$
S5373 Pseudolaric Acid B.cdx
csChFnd80/12082516502D

 32 34  0  0  0  0  0  0  0  0999 V2000
    7.1943    7.1047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1943    8.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3730    6.4101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2523    6.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1943    5.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8680    9.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6045    7.0731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8047    7.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    6.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2523    9.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3155    7.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3788    8.2889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  3 32  1  0  0  0  0
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  6 14  2  0  0  0  0
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  8 15  1  0  0  0  0
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M  END
>  <Mol_ID> (149)
160

>  <Formula> (149)
C23H28O8

>  <MolWeight> (149)
432.46362

>  <Cat> (149)
S5373

>  <Name> (149)
Pseudolaric Acid B

>  <Synonyms> (149)
N/A

>  <Target> (149)
p38

>  <Form> (149)
S5369

>  <CAS> (149)
82508-31-4 

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

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/12082516502D

 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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    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
    4.8497    4.2000    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (150)
161

>  <Formula> (150)
C8H8O3

>  <MolWeight> (150)
152.14732

>  <Cat> (150)
S9374

>  <Name> (150)
2',5'-Dihydroxyacetophenone

>  <CAS> (150)
490-78-8

$$$$
S9408 Beta-Elemonic.cdx
csChFnd80/12082516502D

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.3321    4.3025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0950    3.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    5.7025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (151)
162

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>  <Form> (151)
free base

>  <CAS> (151)
28282-25-9

$$$$
S9430 Tomatidine.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (152)
163

>  <Formula> (152)
C27H46ClNO2

>  <MolWeight> (152)
452.11264

>  <Cat> (152)
S9430

>  <Name> (152)
Tomatidine

>  <Form> (152)
free base

>  <CAS> (152)
6192-62-7

$$$$
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csChFnd80/12082516502D

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>  <Mol_ID> (153)
164

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C22H24NO4+

>  <MolWeight> (153)
366.43026

>  <Cat> (153)
S9431

>  <Name> (153)
Dehydrocorydalin

>  <Form> (153)
free base

>  <CAS> (153)
30045-16-0

$$$$

csChFnd80/12082516502D

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 37 31  1  0  0  0  0
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M  END
>  <Mol_ID> (154)
165

>  <Formula> (154)
C25H21F3N6O3S

>  <MolWeight> (154)
542.5328496

>  <Cat> (154)
S7965

>  <Name> (154)
PLX8394

>  <Synonyms> (154)
N/A

>  <Target> (154)
Raf

>  <Form> (154)
Free Base

>  <CAS> (154)
1393466-87-9

>  <URL> (154)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/12082516502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 16 17  2  0  0  0  0
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 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (155)
166

>  <Formula> (155)
C20H16N4O

>  <MolWeight> (155)
328.36724

>  <Cat> (155)
S8729

>  <Name> (155)
AZ32

>  <Synonyms> (155)
N/A

>  <Target> (155)
ATM/ATR

>  <Form> (155)
Free Base

>  <CAS> (155)
No CAS

>  <URL> (155)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/12082516502D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0  0  0  0
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M  END
>  <Mol_ID> (156)
167

>  <Formula> (156)
C25H25F3N4O4

>  <MolWeight> (156)
502.4856096

>  <Cat> (156)
S8745

>  <Name> (156)
LXH254

>  <Synonyms> (156)
N/A

>  <Target> (156)
Raf

>  <Form> (156)
Free Base

>  <CAS> (156)
1800398-38-2

>  <URL> (156)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/12082516502D

 30 31  0  0  0  0  0  0  0  0999 V2000
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  7 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
 16 28  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
>  <Mol_ID> (157)
168

>  <Formula> (157)
C23H24ClF2NO3

>  <MolWeight> (157)
435.8913664

>  <Cat> (157)
S8756

>  <Name> (157)
XRK3F2

>  <Synonyms> (157)
N/A

>  <Target> (157)
Others

>  <Form> (157)
Free Base

>  <CAS> (157)
No CAS

>  <URL> (157)
http://www.selleckchem.com/products/xrk3f2.html

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (158)
169

>  <Formula> (158)
C27H32O16

>  <MolWeight> (158)
612.53338

>  <Cat> (158)
S9061

>  <Name> (158)
Hydroxy safflor yellow A

>  <Form> (158)
free base

>  <CAS> (158)
78281-02-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (159)
170

>  <Formula> (159)
C26H32O14

>  <MolWeight> (159)
568.52388

>  <Cat> (159)
S9075

>  <Name> (159)
Mulberroside A

>  <Form> (159)
free base

>  <CAS> (159)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/12082516502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (160)
171

>  <Formula> (160)
C21H20O6

>  <MolWeight> (160)
368.3799

>  <Cat> (160)
S9080

>  <Name> (160)
Anhydroicaritin

>  <Form> (160)
free base

>  <CAS> (160)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/12082516502D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (161)
172

>  <Formula> (161)
C27H30O14

>  <MolWeight> (161)
578.5187

>  <Cat> (161)
S9084

>  <Name> (161)
Rhoifolin

>  <Form> (161)
free base

>  <CAS> (161)
17306-46-6

$$$$
S9091 10-Gingerol.cdx
csChFnd80/12082516502D

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>  <Mol_ID> (166)
177

>  <Formula> (166)
C44H70O16

>  <MolWeight> (166)
855.017

>  <Cat> (166)
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>  <Name> (166)
Polyphyllin I

>  <Form> (166)
free base

>  <CAS> (166)
50773-41-6

$$$$
S9127 Carnosol.cdx
csChFnd80/12082516502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (167)
178

>  <Formula> (167)
C20H26O4

>  <MolWeight> (167)
330.41804

>  <Cat> (167)
S9127

>  <Name> (167)
Carnosol

>  <Form> (167)
free base

>  <CAS> (167)
5957-80-2

$$$$
S9183 Ruscogenin.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (168)
179

>  <Formula> (168)
C27H42O4

>  <MolWeight> (168)
430.61998

>  <Cat> (168)
S9183

>  <Name> (168)
Ruscogenin

>  <Form> (168)
free base

>  <CAS> (168)
472-11-7

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (169)
180

>  <Formula> (169)
C21H18ClNO4

>  <MolWeight> (169)
383.82492

>  <Cat> (169)
S9185

>  <Name> (169)
Nitidine Chloride

>  <Form> (169)
free base

>  <CAS> (169)
13063-04-2

$$$$
S9246 Tiliroside.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (170)
181

>  <Formula> (170)
C30H26O13

>  <MolWeight> (170)
594.51964

>  <Cat> (170)
S9246

>  <Name> (170)
Tiliroside

>  <Form> (170)
free base

>  <CAS> (170)
20316-62-5

$$$$
S9281 Peimine.cdx
csChFnd80/12082516502D

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M  END
>  <Mol_ID> (171)
182

>  <Formula> (171)
C27H45NO3

>  <MolWeight> (171)
431.6511

>  <Cat> (171)
S9281

>  <Name> (171)
Peimine

>  <Form> (171)
free base

>  <CAS> (171)
23496-41-5

$$$$
S9287 Genkwanin.cdx
csChFnd80/12082516502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (172)
183

>  <Formula> (172)
C16H12O5

>  <MolWeight> (172)
284.26348

>  <Cat> (172)
S9287

>  <Name> (172)
Genkwanin

>  <Form> (172)
free base

>  <CAS> (172)
437-64-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/12082516502D

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 10  9  1  1  0  0  0
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M  END
>  <Mol_ID> (173)
184

>  <Formula> (173)
C17H26O11

>  <MolWeight> (173)
406.38174

>  <Cat> (173)
S9307

>  <Name> (173)
Shanzhiside methyl ester

>  <Form> (173)
free base

>  <CAS> (173)
64421-28-9

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/12082516502D

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csChFnd80/12082516502D

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29702-25-8

$$$$
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csChFnd80/12082516502D

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5,6,7-Trimethoxyflavone

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free base

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973-67-1

$$$$

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EGFR

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mesylate

>  <CAS> (177)
1421373-66-1

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

$$$$

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Nrf2

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4478-93-7

>  <URL> (178)
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    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  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
 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 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> (179)
190

>  <Formula> (179)
C22H21F3N6O2

>  <MolWeight> (179)
458.4363496

>  <Cat> (179)
S8801

>  <Name> (179)
CC-90003

>  <Synonyms> (179)
N/A

>  <Target> (179)
ERK

>  <Form> (179)
Free Base

>  <CAS> (179)
1621999-82-3

>  <URL> (179)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/12082516502D

 44 48  0  0  0  0  0  0  0  0999 V2000
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   10.9118   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5491    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    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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  4  9  2  0  0  0  0
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  1 10  1  0  0  0  0
  3 11  2  0  0  0  0
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  5 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
 28 43  1  6  0  0  0
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 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (180)
191

>  <Formula> (180)
C28H32O16

>  <MolWeight> (180)
624.54408

>  <Cat> (180)
S9455

>  <Name> (180)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (180)
N/A

>  <Target> (180)
Others

>  <Form> (180)
Free Base

>  <CAS> (180)
55033-90-4

>  <URL> (180)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/12082516502D

 38 42  0  0  0  0  0  0  0  0999 V2000
    7.3952    4.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    3.4678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6974    2.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8443    5.5809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    2.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    7.6936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
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  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
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 12  3  2  0  0  0  0
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 20  4  1  0  0  0  0
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 13  5  1  0  0  0  0
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 10  6  1  0  0  0  0
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  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
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 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
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 25 15  1  0  0  0  0
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 18 30  1  6  0  0  0
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M  END
>  <Mol_ID> (181)
192

>  <Formula> (181)
C30H48O5

>  <MolWeight> (181)
488.69912

>  <Cat> (181)
S9514

>  <Name> (181)
Rotundic acid

>  <Synonyms> (181)
Rutundic acid

>  <Target> (181)
Others

>  <Form> (181)
Free Base

>  <CAS> (181)
20137-37-5

>  <URL> (181)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/12082516502D

 15 16  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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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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
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
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 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (182)
193

>  <Formula> (182)
C10H8O5

>  <MolWeight> (182)
208.16752

>  <Cat> (182)
S9503

>  <Name> (182)
Fraxetin

>  <Synonyms> (182)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (182)
Others

>  <Form> (182)
free base

>  <CAS> (182)
574-84-5

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

$$$$

csChFnd80/12082516502D

 44 47  0  0  0  0  0  0  0  0999 V2000
   12.1244    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
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995   11.9000    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    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1645    8.6760    0.0000 R   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
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  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
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 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
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 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
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 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
 18 25  1  0  0  0  0
 18 26  1  6  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  1  0  0  0
 24 30  1  0  0  0  0
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 25 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  6  0  0  0
 34 32  1  1  0  0  0
 34 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  0  0  0  0
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 39 42  1  6  0  0  0
 39 40  1  0  0  0  0
 40 43  1  1  0  0  0
A   44
xH2O
M  END
>  <Mol_ID> (183)
194

>  <Formula> (183)
C27H30O16R

>  <MolWeight> (183)
610.5175

>  <Cat> (183)
S6264

>  <Name> (183)
Rutin hydrate

>  <Synonyms> (183)
Quercetin-3-O-rutinoside, Rutoside, Sophorin

>  <Target> (183)
Others

>  <Form> (183)
free base

>  <CAS> (183)
207671-50-9

>  <URL> (183)
http://www.selleck.cn/products/rutin-hydrate.html

$$$$

csChFnd80/12082516502D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    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    4.2000    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    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
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    7.2746    5.6000    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
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (184)
195

>  <Formula> (184)
C9H10O4

>  <MolWeight> (184)
182.1733

>  <Cat> (184)
S6338

>  <Name> (184)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (184)
Dihydrocaffeic acid

>  <Target> (184)
Others

>  <Form> (184)
free base

>  <CAS> (184)
1078-61-1

>  <URL> (184)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/12082516502D

 50 56  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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 33 29  1  0  0  0  0
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 35 36  1  0  0  0  0
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 37 38  1  0  0  0  0
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 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
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 20 44  1  1  0  0  0
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 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
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 49  8  1  0  0  0  0
 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (185)
197

>  <Formula> (185)
C37H41N9O3S

>  <MolWeight> (185)
691.84494

>  <Cat> (185)
S8701

>  <Name> (185)
MK-8353 (SCH900353)

>  <Synonyms> (185)
N/A

>  <Target> (185)
ERK

>  <Form> (185)
Free Base

>  <CAS> (185)
1184173-73-6

>  <URL> (185)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/12082516502D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2124   10.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (186)
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>  <Synonyms> (186)
N/A

>  <Target> (186)
Autophagy

>  <Form> (186)
Free Base

>  <CAS> (186)
no cas

>  <URL> (186)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/12082516502D

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M  END
>  <Mol_ID> (187)
199

>  <Formula> (187)
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>  <MolWeight> (187)
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>  <Cat> (187)
S6499

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PF-6260933

>  <Synonyms> (187)
N/A

>  <Target> (187)
Serine/threonin kina

>  <Form> (187)
free base

>  <CAS> (187)
1811510-56-1

>  <URL> (187)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/12082516502D

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>  <Mol_ID> (188)
200

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C16H15N3O2

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WHI-P258

>  <Synonyms> (188)
N/A

>  <Target> (188)
JAK

>  <Form> (188)
free base

>  <CAS> (188)
21561-09-1

>  <URL> (188)
http://www.selleck.cn/products/whi-p258.html

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csChFnd80/12082516502D

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>  <Mol_ID> (189)
201

>  <Formula> (189)
C14H9F4N5O4S

>  <MolWeight> (189)
419.3109728

>  <Cat> (189)
S6527

>  <Name> (189)
Kobe2602

>  <Synonyms> (189)
N/A

>  <Target> (189)
Rho

>  <Form> (189)
free base

>  <CAS> (189)
454453-49-7

>  <URL> (189)
http://www.selleck.cn/products/kobe2602.html

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

>  <Target> (190)
Raf

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free base

>  <CAS> (190)
950736-05-7

>  <URL> (190)
http://www.selleck.cn/products/b-rafin-1.html

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free base

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1353867-91-0

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N/A

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Rho

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free base

>  <CAS> (192)
2244904-70-7

>  <URL> (192)
http://www.selleck.cn/products/bay-293.html

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206

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C18H24N6O

>  <MolWeight> (193)
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>  <Cat> (193)
S6531

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Bohemine

>  <Synonyms> (193)
N/A

>  <Target> (193)
CDK

>  <Form> (193)
Free Base

>  <CAS> (193)
189232-42-6

>  <URL> (193)
http://www.selleck.cn/products/bohemine.html

$$$$

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>  <Mol_ID> (194)
208

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C15H9N3O

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IQ-1S

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N/A

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JNK

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Free Base

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23146-22-7

>  <URL> (194)
http://www.selleck.cn/products/iq-1s.html

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>  <Name> (195)
CC-401 Hydrochloride

>  <Synonyms> (195)
N/A

>  <Target> (195)
JNK

>  <Form> (195)
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>  <CAS> (195)
1438391-30-0

>  <URL> (195)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

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210

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C17H15N5O2

>  <MolWeight> (196)
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DB07268

>  <Synonyms> (196)
N/A

>  <Target> (196)
JNK

>  <Form> (196)
Free Base

>  <CAS> (196)
929007-72-7

>  <URL> (196)
http://www.selleck.cn/products/db07268.html

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C23H16ClFN6OS

>  <MolWeight> (197)
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>  <Cat> (197)
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>  <Name> (197)
Belvarafenib(GDC5573, HM95573, RG6185)

>  <Synonyms> (197)
N/A

>  <Target> (197)
Raf

>  <Form> (197)
Free Base

>  <CAS> (197)
1446113-23-0

>  <URL> (197)
http://www.selleck.cn/products/belvarafenib.html

$$$$

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212

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C29H30F3N5O2

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537.5760096

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S8868

>  <Name> (198)
NG25

>  <Synonyms> (198)
N/A

>  <Target> (198)
TGF-beta/Smad

>  <Form> (198)
Free Base

>  <CAS> (198)
1315355-93-1

>  <URL> (198)
http://www.selleck.cn/products/ng25.html

$$$$

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>  <Mol_ID> (199)
214

>  <Formula> (199)
C26H21Cl3N8

>  <MolWeight> (199)
551.85754

>  <Cat> (199)
S6660

>  <Name> (199)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (199)
N/A

>  <Target> (199)
Raf

>  <Form> (199)
Dihydrochloride

>  <CAS> (199)
1191385-19-9

>  <URL> (199)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/12082516502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (200)
215

>  <Formula> (200)
C20H14ClN3O

>  <MolWeight> (200)
347.79766

>  <Cat> (200)
S6680

>  <Name> (200)
L-779450

>  <Synonyms> (200)
L-779,450

>  <Target> (200)
Raf

>  <Form> (200)
Free Base

>  <CAS> (200)
303727-31-3

>  <URL> (200)
http://www.selleck.cn/products/l-779450.html

$$$$

csChFnd80/12082516502D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (201)
216

>  <Formula> (201)
C29H28F3N5O2

>  <MolWeight> (201)
535.5601296

>  <Cat> (201)
S2213

>  <Name> (201)
AMG-47a

>  <Synonyms> (201)
N/A

>  <Target> (201)
Src

>  <Form> (201)
Free Base

>  <CAS> (201)
882663-88-9

>  <URL> (201)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/12082516502D

 26 27  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
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M  END
>  <Mol_ID> (202)
217

>  <Formula> (202)
C16H19Cl2N3O4S

>  <MolWeight> (202)
420.31076

>  <Cat> (202)
S8900

>  <Name> (202)
SR18662 

>  <Synonyms> (202)
N/A

>  <Target> (202)
KLF

>  <Form> (202)
Free Base

>  <CAS> (202)
no cas

>  <URL> (202)
http://www.selleckchem.com/products/sr18662.html

$$$$

csChFnd80/12082516502D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (203)
218

>  <Formula> (203)
C26H23N5O2

>  <MolWeight> (203)
437.49312

>  <Cat> (203)
S8961

>  <Name> (203)
Alobresib (GS-5829)

>  <Synonyms> (203)
N/A

>  <Target> (203)
Epigenetic Reader Do

>  <Form> (203)
Free Base

>  <CAS> (203)
1637771-14-2

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

$$$$

csChFnd80/12082516502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (204)
219

>  <Formula> (204)
C20H13FN4O2

>  <MolWeight> (204)
360.3412232

>  <Cat> (204)
S5183

>  <Name> (204)
PD 169316

>  <Synonyms> (204)
N/A

>  <Target> (204)
p38 MAPK

>  <Form> (204)
Free Base

>  <CAS> (204)
152121-53-4

>  <URL> (204)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12082516502D

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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (205)
220

>  <Formula> (205)
C17H11BrFN3O2

>  <MolWeight> (205)
388.1905432

>  <Cat> (205)
S6786

>  <Name> (205)
ERK5-IN-2

>  <Synonyms> (205)
N/A

>  <Target> (205)
ERK

>  <Form> (205)
Free Base

>  <CAS> (205)
1888305-96-1

>  <URL> (205)
http://www.selleckchem.com/products/erk5-in-2.html

$$$$

csChFnd80/12082516502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (206)
221

>  <Formula> (206)
C20H13F2N3

>  <MolWeight> (206)
333.3341264

>  <Cat> (206)
S6807

>  <Name> (206)
TA-02

>  <Synonyms> (206)
N/A

>  <Target> (206)
p38 MAPK

>  <Form> (206)
Free Base

>  <CAS> (206)
1784751-19-4

>  <URL> (206)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12082516502D

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M  END
>  <Mol_ID> (207)
222

>  <Formula> (207)
C43H46F3N7O7S

>  <MolWeight> (207)
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S8888

>  <Name> (207)
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>  <Synonyms> (207)
N/A

>  <Target> (207)
PROTAC

>  <Form> (207)
Free Base

>  <CAS> (207)
no cas

>  <URL> (207)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/12082516502D

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M  END
>  <Mol_ID> (208)
224

>  <Formula> (208)
C11H13NOS

>  <MolWeight> (208)
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>  <Cat> (208)
S0023

>  <Name> (208)
K-Ras-IN-1

>  <Target> (208)
Ras

>  <Form> (208)
free base

>  <CAS> (208)
84783-01-7

>  <URL> (208)
http://www.selleckchem.com/products/k-ras-in-1.html

$$$$

csChFnd80/12082516502D

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M  END
>  <Mol_ID> (209)
225

>  <Formula> (209)
C21H19N3O3

>  <MolWeight> (209)
361.39386

>  <Cat> (209)
S0268

>  <Name> (209)
DMX-5084

>  <Target> (209)
MAP4K

>  <Form> (209)
free base

>  <CAS> (209)
2306178-56-1

>  <URL> (209)
http://www.selleckchem.com/products/dmx-5084.html

$$$$

csChFnd80/12082516502D

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M  END
>  <Mol_ID> (210)
226

>  <Formula> (210)
C14H10N4O3S

>  <MolWeight> (210)
314.3192

>  <Cat> (210)
S0458

>  <Name> (210)
KY1220

>  <Target> (210)
Wnt/beta-catenin

>  <Form> (210)
free base

>  <CAS> (210)
292168-79-7

>  <URL> (210)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/12082516502D

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>  <Mol_ID> (211)
227

>  <Formula> (211)
C23H40N2O3

>  <MolWeight> (211)
392.5753

>  <Cat> (211)
S0752

>  <Name> (211)
AUDA

>  <Target> (211)
Epoxide Hydrolase

>  <Form> (211)
free base

>  <CAS> (211)
479413-70-2

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

$$$$

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 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
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 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
 26 29  1  0  0  0  0
  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
  9 32  1  1  0  0  0
 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
  5 36  1  6  0  0  0
 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (212)
228

>  <Formula> (212)
C30H48O7

>  <MolWeight> (212)
520.69792

>  <Cat> (212)
S0949

>  <Name> (212)
Cucurbitacin IIb

>  <Target> (212)
STAT

>  <Form> (212)
free base

>  <CAS> (212)
50298-90-3

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

$$$$

csChFnd80/12082516502D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (213)
229

>  <Formula> (213)
C7H14O6

>  <MolWeight> (213)
194.18246

>  <Cat> (213)
S3223

>  <Name> (213)
L-Quebrachitol

>  <Target> (213)
TGF-beta/Smad

>  <Form> (213)
free base

>  <CAS> (213)
642-38-6

>  <URL> (213)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/12082516502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.1880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372    3.1732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3372    4.5731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0858    2.4246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0858    5.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496    2.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173    3.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173    4.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496    5.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620    3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3372    5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620    4.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7996    1.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    1.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272    6.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0359    5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0473    6.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7844    7.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2623    7.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2677    8.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720    6.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  1  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  1  0  0  0
  5  8  1  0  0  0  0
  5 14  1  1  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 13 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (214)
230

>  <Formula> (214)
C20H28O2

>  <MolWeight> (214)
300.43512

>  <Cat> (214)
S3226

>  <Name> (214)
Dehydroabietic acid

>  <Target> (214)
Anti-infection

>  <Form> (214)
free base

>  <CAS> (214)
1740-19-8

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

$$$$

csChFnd80/12082516502D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.6340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6885    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8778    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    5.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  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
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (215)
231

>  <Formula> (215)
C24H32O4

>  <MolWeight> (215)
384.50848

>  <Cat> (215)
S3238

>  <Name> (215)
Resibufogenin

>  <Target> (215)
RIP kinase

>  <Form> (215)
free base

>  <CAS> (215)
465-39-4

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

$$$$

csChFnd80/12082516502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (216)
232

>  <Formula> (216)
C18H20O5

>  <MolWeight> (216)
316.3484

>  <Cat> (216)
S3242

>  <Name> (216)
Loureirin B

>  <Target> (216)
PAI-1

>  <Form> (216)
free base

>  <CAS> (216)
119425-90-0

>  <URL> (216)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/12082516502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.7791    4.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    6.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    5.0655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    5.7655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    3.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    5.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2019    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5  2  1  6  0  0  0
  6  3  1  1  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  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
M  END
>  <Mol_ID> (217)
233

>  <Formula> (217)
C12H16O4

>  <MolWeight> (217)
224.25304

>  <Cat> (217)
S3275

>  <Name> (217)
Senkyunolide I

>  <Target> (217)
ERK

>  <Form> (217)
free base

>  <CAS> (217)
94596-28-8

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

$$$$

csChFnd80/12082516502D

 42 46  0  0  0  0  0  0  0  0999 V2000
    6.0623    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3715   11.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8328   16.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  1  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
    2.4249    7.7000    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
    6.0623    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   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
    4.8497   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757   12.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0847   14.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645   14.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275   14.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  6  0  0  0
 19  1  1  1  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
 20  4  1  1  0  0  0
  4 28  1  0  0  0  0
 17  5  1  1  0  0  0
 18  6  1  6  0  0  0
 21  7  1  6  0  0  0
 23  8  1  6  0  0  0
 24  9  1  1  0  0  0
 10 26  1  0  0  0  0
 11 29  1  0  0  0  0
 11 33  1  0  0  0  0
 12 30  2  0  0  0  0
 13 34  1  0  0  0  0
 14 39  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 26  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  1  6  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
 32 36  2  0  0  0  0
 32 37  1  0  0  0  0
 33 35  2  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  2  0  0  0  0
 38 39  2  0  0  0  0
 40 42  2  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (218)
234

>  <Formula> (218)
C27H30O15

>  <MolWeight> (218)
594.5181

>  <Cat> (218)
S3278

>  <Name> (218)
Kaempferol-3-O-neohesperidoside

>  <Target> (218)
Carbohydrate Metabol

>  <Form> (218)
free base

>  <CAS> (218)
32602-81-6

>  <URL> (218)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/12082516502D

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6289    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8166    7.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    8.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1941    9.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3673   12.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5623    9.5530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8892    9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1435    6.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1803    7.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877   11.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  6  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
 23 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
  3 36  1  1  0  0  0
  2 37  1  6  0  0  0
  4 38  1  6  0  0  0
 19 39  1  6  0  0  0
M  END
>  <Mol_ID> (219)
235

>  <Formula> (219)
C27H34O12

>  <MolWeight> (219)
550.55166

>  <Cat> (219)
S3284

>  <Name> (219)
Tracheloside

>  <Target> (219)
phosphatase

>  <Form> (219)
free base

>  <CAS> (219)
33464-71-0

>  <URL> (219)
http://www.selleckchem.com/products/tracheloside.html

$$$$

csChFnd80/12082516502D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    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
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  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
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (220)
236

>  <Formula> (220)
C17H24O2

>  <MolWeight> (220)
260.37126

>  <Cat> (220)
S3292

>  <Name> (220)
Falcarindiol

>  <Target> (220)
NOS

>  <Form> (220)
free base

>  <CAS> (220)
225110-25-8

>  <URL> (220)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/12082516502D

 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
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    1.2124   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (221)
237

>  <Formula> (221)
C27H33ClN2O4

>  <MolWeight> (221)
485.01492

>  <Cat> (221)
S6760

>  <Name> (221)
LM22B-10

>  <Target> (221)
Trk receptor

>  <Form> (221)
free base

>  <CAS> (221)
342777-54-2

>  <URL> (221)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/12082516502D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  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
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C19H15ClN4O

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>  <Target> (222)
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free base

>  <CAS> (222)
2095704-43-9

>  <URL> (222)
http://www.selleckchem.com/products/sel201.html

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>  <Mol_ID> (223)
241

>  <Formula> (223)
C33H36N2O3

>  <MolWeight> (223)
508.65054

>  <Cat> (223)
S6905

>  <Name> (223)
MCP110

>  <Target> (223)
Ras

>  <Form> (223)
free base

>  <CAS> (223)
521310-51-0

>  <URL> (223)
http://www.selleckchem.com/products/mcp110.html

$$$$

csChFnd80/12082516502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (224)
242

>  <Formula> (224)
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>  <MolWeight> (224)
462.4648096

>  <Cat> (224)
S8916

>  <Name> (224)
BI-3406

>  <Target> (224)
Ras

>  <Form> (224)
free base

>  <CAS> (224)
2230836-55-0

>  <URL> (224)
http://www.selleckchem.com/products/bi-3406.html

$$$$

csChFnd80/12082516502D

 35 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (225)
243

>  <Formula> (225)
C21H13ClD3F3N4O3

>  <MolWeight> (225)
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>  <Cat> (225)
S9621

>  <Name> (225)
Donafenib (Sorafenib D3)

>  <Target> (225)
Raf

>  <Form> (225)
free base

>  <CAS> (225)
1130115-44-4

>  <URL> (225)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/12082516502D

152158  0  0  0  0  0  0  0  0999 V2000
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149151  2  0  0  0  0
150152  2  0  0  0  0
151152  1  0  0  0  0
M  END
>  <Mol_ID> (226)
245

>  <Formula> (226)
C97H144FN33O19S2

>  <MolWeight> (226)
2159.5193632

>  <Cat> (226)
S9665

>  <Name> (226)
Motixafortide (BL-8040)

>  <Target> (226)
CXCR

>  <Form> (226)
free base

>  <CAS> (226)
664334-36-5

>  <URL> (226)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/12082516502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  3  6  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  6  0  0  0
  9 10  2  0  0  0  0
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 11 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
 11 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19  1  1  1  0  0  0
 19  4  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 19 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 27 26  2  0  0  0  0
 19 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  2  0  0  0  0
 28 21  1  0  0  0  0
  4 29  1  6  0  0  0
M  END
>  <Mol_ID> (227)
246

>  <Formula> (227)
C22H26N2O4

>  <MolWeight> (227)
382.45284

>  <Cat> (227)
S9306

>  <Name> (227)
Corynoxeine

>  <Synonyms> (227)
N/A

>  <Target> (227)
ERK

>  <Form> (227)
Free Base

>  <CAS> (227)
630-94-4

>  <URL> (227)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/12082516502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 O   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
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    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  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  6  4  1  6  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (228)
247

>  <Formula> (228)
C13H14N2O3

>  <MolWeight> (228)
246.26186

>  <Cat> (228)
S0323

>  <Name> (228)
Antineoplaston A10

>  <Synonyms> (228)
N/A

>  <Target> (228)
Ras

>  <Form> (228)
Free Base

>  <CAS> (228)
91531-30-5

>  <URL> (228)
https://www.selleckchem.com/products/antineoplaston-a10.html

$$$$

csChFnd80/12082516502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.0545    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    1.5067    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    8.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.9923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    5.1189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    7.8651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    6.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    2.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1846    7.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8595    3.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (229)
248

>  <Formula> (229)
C15H12Cl2N4O

>  <MolWeight> (229)
335.18798

>  <Cat> (229)
S0454

>  <Name> (229)
Adjudin

>  <Synonyms> (229)
AF-2364

>  <Target> (229)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (229)
Free Base

>  <CAS> (229)
252025-52-8

>  <URL> (229)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/12082516502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0122    5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    6.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1735    1.9411    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  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
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 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
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (230)
249

>  <Formula> (230)
C16H12ClNO

>  <MolWeight> (230)
269.72558

>  <Cat> (230)
S0780

>  <Name> (230)
Oncrasin-1

>  <Synonyms> (230)
N/A

>  <Target> (230)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (230)
Free Base

>  <CAS> (230)
75629-57-1

>  <URL> (230)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/12082516502D

 26 30  0  0  0  0  0  0  0  0999 V2000
    8.0935    5.3677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9408    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6068    7.7431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7285    1.2462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7442    4.0460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7220    5.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9449    1.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0903    2.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    3.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4861    8.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8773    8.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1583    6.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  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
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (231)
250

>  <Formula> (231)
C20H11N3O3

>  <MolWeight> (231)
341.31964

>  <Cat> (231)
S0781

>  <Name> (231)
IQ 3

>  <Synonyms> (231)
N/A

>  <Target> (231)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (231)
Free Base

>  <CAS> (231)
312538-03-7

>  <URL> (231)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/12082516502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2195    0.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    1.5205    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1859    3.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2433    6.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8471    2.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0047    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2094    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8370    3.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5617    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1893    3.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5517    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  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
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>  <Mol_ID> (232)
251

>  <Formula> (232)
C18H13F2NO3

>  <MolWeight> (232)
329.2975264

>  <Cat> (232)
S0881

>  <Name> (232)
Mitochonic acid 5

>  <Synonyms> (232)
MA-5

>  <Target> (232)
Mitophagy. MAPK. ERK. Yap

>  <Form> (232)
Free Base

>  <CAS> (232)
1354707-41-7

>  <URL> (232)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/12082516502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (233)
252

>  <Formula> (233)
C13H8O3

>  <MolWeight> (233)
212.20082

>  <Cat> (233)
S1321

>  <Name> (233)
Urolithin B

>  <Synonyms> (233)
N/A

>  <Target> (233)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (233)
Free Base

>  <CAS> (233)
1139-83-9

>  <URL> (233)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/12082516502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  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  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 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 18  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (234)
253

>  <Formula> (234)
C21H19F2NO3

>  <MolWeight> (234)
371.3772664

>  <Cat> (234)
S6920

>  <Name> (234)
SEA0400

>  <Synonyms> (234)
N/A

>  <Target> (234)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (234)
Free Base

>  <CAS> (234)
223104-29-8

>  <URL> (234)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/12082516502D

 28 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   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  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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0736    8.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  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
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
 16 18  1  0  0  0  0
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 22 18  2  0  0  0  0
 22 23  1  0  0  0  0
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>  <Mol_ID> (235)
254

>  <Formula> (235)
C22H14FN5

>  <MolWeight> (235)
367.3784632

>  <Cat> (235)
S6963

>  <Name> (235)
APTO-253

>  <Synonyms> (235)
LOR-253, LT-253

>  <Target> (235)
c-Myc. KLF. Apoptosis related

>  <Form> (235)
Free Base

>  <CAS> (235)
916151-99-0

>  <URL> (235)
https://www.selleckchem.com/products/apto-253.html

$$$$

csChFnd80/12082516502D

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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
  4  8  2  0  0  0  0
  5  9  1  6  0  0  0
  7 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  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
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  1  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 23  1  0  0  0  0
 18 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 18  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  1  0  0  0  0
M  END
>  <Mol_ID> (236)
255

>  <Formula> (236)
C29H36F3N3O8S

>  <MolWeight> (236)
643.6716496

>  <Cat> (236)
S9698

>  <Name> (236)
Ezatiostat

>  <Synonyms> (236)
TER199, TLK199, Telintra

>  <Target> (236)
Transferase. JNK. ERK. Apoptosis related

>  <Form> (236)
Free Base

>  <CAS> (236)
168682-53-9

>  <URL> (236)
https://www.selleckchem.com/products/ezatiostat.html

$$$$

csChFnd80/12082516502D

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.6350    4.2508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4645    4.9265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6350    2.8279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8481    4.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.2049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4645    6.3258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    2.1184    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8463    2.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.2513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2522    7.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2728    4.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    2.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399    6.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2522    8.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6260    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851    4.2515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2728    6.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976    4.9515    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9100    4.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976    6.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    4.9515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9100    2.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3349    4.2515    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5473    4.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3349    2.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5473    6.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5473    2.1515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    2.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7598    7.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9722    6.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7598    8.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 21 19  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 26 24  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (237)
256

>  <Formula> (237)
C19H32N4O11

>  <MolWeight> (237)
492.47758

>  <Cat> (237)
S9709

>  <Name> (237)
Muramyl dipeptide

>  <Synonyms> (237)
MDP

>  <Target> (237)
RUNX

>  <Form> (237)
Free Base

>  <CAS> (237)
53678-77-6

>  <URL> (237)
https://www.selleckchem.com/products/muramyl-dipeptide.html

$$$$
