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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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TGF-beta/Smad

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Free Base

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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

>  <URL> (7)
http://www.selleckchem.com/products/SB-203580.html

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>  <URL> (8)
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>  <URL> (9)
http://www.selleckchem.com/products/GDC-0879.html

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>  <Formula> (10)
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Raf 

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Free Base

>  <CAS> (10)
918505-84-7

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

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>  <Formula> (11)
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>  <Cat> (11)
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>  <Synonyms> (11)
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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12

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BAY 73-4506

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

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Free Base

>  <CAS> (12)
755037-03-7

>  <URL> (12)
http://www.selleckchem.com/products/BAY-73-4506.html

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RO5185426

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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)
23

>  <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
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (24)
24

>  <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
csChFnd80/12202213352D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (25)
25

>  <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
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (26)
26

>  <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
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (27)
27

>  <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
csChFnd80/12202213352D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (28)
28

>  <Formula> (28)
C23H20F3N5O2S2

>  <MolWeight> (28)
519.5624096

>  <Cat> (28)
S2807

>  <Name> (28)
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
csChFnd80/12202213352D

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>  <Mol_ID> (29)
29

>  <Formula> (29)
C16H17FIN3O4

>  <MolWeight> (29)
461.2267532

>  <Cat> (29)
S2134

>  <Name> (29)
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
csChFnd80/12202213352D

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>  <Mol_ID> (30)
30

>  <Formula> (30)
C24H16F6N6O

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>  <Cat> (30)
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

$$$$
raf265.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (31)
31

>  <Formula> (31)
C23H14F6N6O

>  <MolWeight> (31)
504.3872792

>  <Cat> (31)
S2200

>  <Name> (31)
Raf265 derivative

>  <Synonyms> (31)
N/A

>  <Target> (31)
VEGFR, Raf

>  <Form> (31)
Free Base

>  <CAS> (31)
N/A

>  <URL> (31)
http://www.selleckchem.com/products/Raf265-derivative.html

$$$$
NVP-BHG712.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (32)
32

>  <Formula> (32)
C26H20F3N7O

>  <MolWeight> (32)
503.4785096

>  <Cat> (32)
S2202

>  <Name> (32)
NVP-BHG712

>  <Synonyms> (32)
N/A

>  <Target> (32)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (32)
Free Base

>  <CAS> (32)
940310-85-0

>  <URL> (32)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
SB 590885.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (33)
33

>  <Formula> (33)
C27H27N5O2

>  <MolWeight> (33)
453.53558

>  <Cat> (33)
S2220

>  <Name> (33)
SB590885

>  <Synonyms> (33)
GSK2118436 

>  <Target> (33)
Raf

>  <Form> (33)
Free Base

>  <CAS> (33)
405554-55-4 

>  <URL> (33)
http://www.selleckchem.com/products/SB590885.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (34)
34

>  <Formula> (34)
C22H18O11

>  <MolWeight> (34)
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>  <Cat> (34)
S2250

>  <Name> (34)
(-)-Epigallocatechin gallate

>  <Synonyms> (34)
EGCG

>  <Target> (34)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (34)
Free Base

>  <CAS> (34)
989-51-5

>  <URL> (34)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
AESCULIN.cdx
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>  <Mol_ID> (35)
35

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C15H16O9

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S2258

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>  <Synonyms> (35)
Esculin

>  <Target> (35)
Others

>  <Form> (35)
Free Base

>  <CAS> (35)
531-75-9

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

$$$$
Apigenin.cdx
csChFnd80/12202213352D

 20 22  0  0  0  0  0  0  0  0999 V2000
    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
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    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  4  1  0  0  0  0
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  7 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C15H10O5

>  <MolWeight> (36)
270.2369

>  <Cat> (36)
S2262

>  <Name> (36)
Apigenin

>  <Synonyms> (36)
N/A

>  <Target> (36)
P450

>  <Form> (36)
Free Base

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

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

$$$$
Asiatic acid.cdx
csChFnd80/12202213352D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    5.2249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    5.2249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    7.3249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (37)
37

>  <Formula> (37)
C30H48O5

>  <MolWeight> (37)
488.69912

>  <Cat> (37)
S2266

>  <Name> (37)
Asiatic acid

>  <Synonyms> (37)
N/A

>  <Target> (37)
p38 MAPK

>  <Form> (37)
Free Base

>  <CAS> (37)
464-92-6

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

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/12202213352D

 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
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    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
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    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
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    5.6214    0.0802    0.0000 Cl  0  5  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
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  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
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 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 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> (38)
38

>  <Formula> (38)
C20H18ClNO4

>  <MolWeight> (38)
371.81422

>  <Cat> (38)
S2271

>  <Name> (38)
Berberine chloride

>  <Synonyms> (38)
N/A

>  <Target> (38)
Antifection

>  <Form> (38)
chloride

>  <CAS> (38)
633-65-8

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

$$$$
Glycyrrhizic acid.cdx
csChFnd80/12202213352D

 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
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   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
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  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
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 16 17  1  0  0  0  0
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  2 23  1  1  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 18 26  1  1  0  0  0
 17 27  1  1  0  0  0
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  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
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 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> (39)
39

>  <Formula> (39)
C42H62O16

>  <MolWeight> (39)
822.93208

>  <Cat> (39)
S2302

>  <Name> (39)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Synonyms> (39)
N/A

>  <Target> (39)
Others

>  <Form> (39)
Free Base

>  <CAS> (39)
1405-86-3

>  <URL> (39)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

$$$$
Hesperetin.cdx
csChFnd80/12202213352D

 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> (40)
40

>  <Formula> (40)
C16H14O6

>  <MolWeight> (40)
302.27876

>  <Cat> (40)
S2308

>  <Name> (40)
Hesperetin

>  <Synonyms> (40)
N/A

>  <Target> (40)
Histamine Receptor

>  <Form> (40)
Free Base

>  <CAS> (40)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/12202213352D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C18H18O2

>  <MolWeight> (41)
266.33432

>  <Cat> (41)
S2310

>  <Name> (41)
Honokiol

>  <Synonyms> (41)
N/A

>  <Target> (41)
Akt, MEK

>  <Form> (41)
Free Base

>  <CAS> (41)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/12202213352D

 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
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    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    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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> (42)
42

>  <Formula> (42)
C15H10O8

>  <MolWeight> (42)
318.2351

>  <Cat> (42)
S2326

>  <Name> (42)
Myricetin (Cannabiscetin)

>  <Synonyms> (42)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (42)
NULL

>  <Form> (42)
Free Base

>  <CAS> (42)
529-44-2

>  <URL> (42)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/12202213352D

 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
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 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> (43)
43

>  <Formula> (43)
C21H20O12

>  <MolWeight> (43)
464.3763

>  <Cat> (43)
S2327

>  <Name> (43)
Myricitrin (Myricitrine)

>  <Synonyms> (43)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (43)
PKC

>  <Form> (43)
Free Base

>  <CAS> (43)
17912-87-7

>  <URL> (43)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/12202213352D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (44)
44

>  <Formula> (44)
C18H29ClN2O

>  <MolWeight> (44)
324.88866

>  <Cat> (44)
S2454

>  <Name> (44)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (44)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (44)
Sodium Channel

>  <Form> (44)
Hydrochloride

>  <CAS> (44)
18010-40-7

>  <URL> (44)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
TAK733.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (45)
45

>  <Formula> (45)
C17H15F2IN4O4

>  <MolWeight> (45)
504.2266764

>  <Cat> (45)
S2617

>  <Name> (45)
TAK-733

>  <Synonyms> (45)
N/A 

>  <Target> (45)
MEK

>  <Form> (45)
Free Base

>  <CAS> (45)
1035555-63-5

>  <URL> (45)
http://www.selleckchem.com/products/tak-733.html

$$$$
A-674563.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (46)
46

>  <Formula> (46)
C22H22N4O

>  <MolWeight> (46)
358.43628

>  <Cat> (46)
S2670

>  <Name> (46)
A-674563

>  <Synonyms> (46)
N/A

>  <Target> (46)
Akt, CDK, PKA

>  <Form> (46)
Free Base

>  <CAS> (46)
552325-73-2

>  <URL> (46)
http://www.selleckchem.com/products/a-674563.html

$$$$
untitled.cdx
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>  <Mol_ID> (47)
47

>  <Formula> (47)
C25H26ClN5O3

>  <MolWeight> (47)
479.95864

>  <Cat> (47)
S1012

>  <Name> (47)
BMS-536924

>  <Synonyms> (47)
N/A 

>  <Target> (47)
IGF-1R

>  <Form> (47)
Free Base

>  <CAS> (47)
468740-43-4

>  <URL> (47)
http://www.selleckchem.com/products/BMS-536924.html

$$$$
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>  <Mol_ID> (48)
49

>  <Formula> (48)
C23H23N3O3

>  <MolWeight> (48)
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S2720

>  <Name> (48)
ZM 336372

>  <Synonyms> (48)
N/A

>  <Target> (48)
Raf

>  <Form> (48)
Free Base

>  <CAS> (48)
208260-29-1

>  <URL> (48)
http://www.selleckchem.com/products/zm-336372.html

$$$$
PH797804.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (49)
50

>  <Formula> (49)
C22H19BrF2N2O3

>  <MolWeight> (49)
477.2986664

>  <Cat> (49)
S2726

>  <Name> (49)
PH-797804

>  <Synonyms> (49)
N/A

>  <Target> (49)
p38 MAPK

>  <Form> (49)
Free Base

>  <CAS> (49)
586379-66-0

>  <URL> (49)
http://www.selleckchem.com/products/ph-797804.html

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (50)
51

>  <Formula> (50)
C14H22N2O

>  <MolWeight> (50)
234.33728

>  <Cat> (50)
S1357

>  <Name> (50)
Lidocaine (Alphacaine)

>  <Synonyms> (50)
Alphacaine, Xylocaine, lignocaine

>  <Target> (50)
Histamine Receptor

>  <Form> (50)
Free Base

>  <CAS> (50)
137-58-6

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

$$$$
Sodium salicylate.cdx
csChFnd80/12202213352D

 11 10  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (51)
52

>  <Formula> (51)
C7H6NaO3

>  <MolWeight> (51)
161.11051

>  <Cat> (51)
S3137

>  <Name> (51)
Sodium salicylate

>  <Synonyms> (51)
N/A 

>  <Target> (51)
NF-¦ÊB

>  <Form> (51)
sodium salt

>  <CAS> (51)
54-21-7

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

$$$$
WHI-P154.cdx
csChFnd80/12202213352D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (52)
53

>  <Formula> (52)
C16H14BrN3O3

>  <MolWeight> (52)
376.20466

>  <Cat> (52)
S2867

>  <Name> (52)
WHI-P154

>  <Synonyms> (52)
N/A

>  <Target> (52)
JAK, EGFR

>  <Form> (52)
Free Base

>  <CAS> (52)
211555-04-3

>  <URL> (52)
http://www.selleckchem.com/products/whi-p154.html

$$$$
BI-D1870.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (53)
54

>  <Formula> (53)
C19H23F2N5O2

>  <MolWeight> (53)
391.4150264

>  <Cat> (53)
S2843

>  <Name> (53)
BI-D1870

>  <Synonyms> (53)
N/A

>  <Target> (53)
S6 Kinase

>  <Form> (53)
Free Base

>  <CAS> (53)
501437-28-1

>  <URL> (53)
http://www.selleckchem.com/products/bi-d1870.html

$$$$
TAK 715.cdx
csChFnd80/12202213352D

 29 32  0  0  0  0  0  0  0  0999 V2000
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303162-79-0

>  <URL> (54)
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http://www.selleckchem.com/products/pf-4708671.html

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1410880-22-6

>  <URL> (56)
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>  <URL> (57)
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   12.1244    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
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  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 19  1  0  0  0  0
 10 20  2  0  0  0  0
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 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 15  1  0  0  0  0
 17 31  1  1  0  0  0
M  END
>  <Mol_ID> (58)
59

>  <Formula> (58)
C19H20F3IN2O5S

>  <MolWeight> (58)
572.3371796

>  <Cat> (58)
S1089

>  <Name> (58)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (58)
BAY 869766

>  <Target> (58)
MEK

>  <Form> (58)
Free Base

>  <CAS> (58)
923032-37-5

>  <URL> (58)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/12202213352D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
60

>  <Formula> (59)
C14H23ClN2O

>  <MolWeight> (59)
270.79822

>  <Cat> (59)
S4667

>  <Name> (59)
Lidocaine hydrochloride

>  <Synonyms> (59)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (59)
Others

>  <Form> (59)
hydrochloride

>  <CAS> (59)
73-78-9

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

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/12202213352D

 38 41  0  0  0  0  0  0  0  0999 V2000
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    7.6450    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
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  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
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 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> (60)
61

>  <Formula> (60)
C26H45NO6S

>  <MolWeight> (60)
499.7036

>  <Cat> (60)
S3654

>  <Name> (60)
Tauroursodeoxycholic Acid

>  <Synonyms> (60)
N/A

>  <Target> (60)
Others

>  <Form> (60)
free base

>  <CAS> (60)
14605-22-2

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

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/12202213352D

 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
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    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (61)
62

>  <Formula> (61)
C16H16O4

>  <MolWeight> (61)
272.29584

>  <Cat> (61)
S3940

>  <Name> (61)
3'-Hydroxypterostilbene

>  <Synonyms> (61)
3'-HPT

>  <Target> (61)
Others

>  <Form> (61)
free base

>  <CAS> (61)
475231-21-1

>  <URL> (61)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/12202213352D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (62)
63

>  <Formula> (62)
C21H20O11

>  <MolWeight> (62)
448.3769

>  <Cat> (62)
S3824

>  <Name> (62)
Quercitrin

>  <Synonyms> (62)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (62)
Others

>  <Form> (62)
free base

>  <CAS> (62)
522-12-3

>  <URL> (62)
http://www.selleckchem.com/products/quercitrin.html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/12202213352D

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 10  5  1  0  0  0  0
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 25 20  1  0  0  0  0
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 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (63)
64

>  <Formula> (63)
C27H30O10

>  <MolWeight> (63)
514.5211

>  <Cat> (63)
S3840

>  <Name> (63)
Baohuoside I

>  <Synonyms> (63)
Icariside II

>  <Target> (63)
ROS

>  <CAS> (63)
113558-15-9

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

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/12202213352D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8521    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 40 46  1  0  0  0  0
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 34 40  1  0  0  0  0
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 28 22  1  6  0  0  0
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 14 11  1  1  0  0  0
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 35 64  1  1  0  0  0
 40 65  1  1  0  0  0
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 30 69  1  1  0  0  0
 34 70  1  6  0  0  0
 13 71  1  1  0  0  0
  2 72  1  1  0  0  0
M  END
>  <Mol_ID> (64)
65

>  <Formula> (64)
C48H82O18

>  <MolWeight> (64)
947.15388

>  <Cat> (64)
S3811

>  <Name> (64)
Ginsenoside Re

>  <Synonyms> (64)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (64)
Others

>  <Form> (64)
free base

>  <CAS> (64)
52286-59-6

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

$$$$
S3892 Isopsoralen.cdx
csChFnd80/12202213352D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (65)
66

>  <Formula> (65)
C11H6O3

>  <MolWeight> (65)
186.16354

>  <Cat> (65)
S3892

>  <Name> (65)
Isopsoralen

>  <Synonyms> (65)
angelicin

>  <Target> (65)
Immunology & Inflammation related

>  <Form> (65)
free base

>  <CAS> (65)
523-50-2

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

$$$$
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csChFnd80/12202213352D

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>  <Mol_ID> (66)
67

>  <Formula> (66)
C41H68O14

>  <MolWeight> (66)
784.97022

>  <Cat> (66)
S3901

>  <Name> (66)
Astragaloside IV

>  <Synonyms> (66)
AST-IV, AS-IV

>  <Target> (66)
Others

>  <Form> (66)
free base

>  <CAS> (66)
84687-43-4

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

$$$$
LY364947.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (67)
68

>  <Formula> (67)
C17H12N4

>  <MolWeight> (67)
272.30398

>  <Cat> (67)
S2805

>  <Name> (67)
LY364947

>  <Synonyms> (67)
N/A

>  <Target> (67)
TGF-beta/Smad

>  <Form> (67)
Free Base

>  <CAS> (67)
396129-53-6

>  <URL> (67)
http://www.selleckchem.com/products/ly364947.html

$$$$
P505-15.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (68)
69

>  <Formula> (68)
C19H24ClN9O

>  <MolWeight> (68)
429.90656

>  <Cat> (68)
S8032

>  <Name> (68)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (68)
N/A

>  <Target> (68)
Syk

>  <Form> (68)
Hydrochloride

>  <CAS> (68)
1370261-97-4,1370261-96-3(free base)

>  <URL> (68)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
S4990 TBHQ.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (69)
70

>  <Formula> (69)
C10H14O2

>  <MolWeight> (69)
166.21696

>  <Cat> (69)
S4990

>  <Name> (69)
TBHQ

>  <Synonyms> (69)
Tert-butylhydroquinone

>  <Target> (69)
Nrf2

>  <Form> (69)
free base

>  <CAS> (69)
1948-33-0

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (70)
71

>  <Formula> (70)
C18H16O7

>  <MolWeight> (70)
344.31544

>  <Cat> (70)
S4953

>  <Name> (70)
Usnic acid

>  <Synonyms> (70)
Usniacin

>  <Target> (70)
Others

>  <Form> (70)
free base

>  <CAS> (70)
125-46-2

>  <URL> (70)
http://selleckchem.com/products/usnic-acid.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (71)
72

>  <Formula> (71)
C10H13N5O

>  <MolWeight> (71)
219.24312

>  <Cat> (71)
S4884

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Trans-Zeatin

>  <Synonyms> (71)
(E)-Zeatin

>  <Target> (71)
Others

>  <CAS> (71)
1637-39-4

>  <URL> (71)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (72)
73

>  <Formula> (72)
C9H9N

>  <MolWeight> (72)
131.17446

>  <Cat> (72)
S4959

>  <Name> (72)
Skatole

>  <Synonyms> (72)
3-methylindole, Scatole

>  <Target> (72)
Anti-infection

>  <CAS> (72)
83-34-1

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (73)
74

>  <Formula> (73)
C47H80O18

>  <MolWeight> (73)
933.1273

>  <Cat> (73)
S3785

>  <Name> (73)
Notoginsenoside R1

>  <Synonyms> (73)
Sanchinoside R1

>  <Target> (73)
Others

>  <Form> (73)
free base

>  <CAS> (73)
80418-24-2

>  <URL> (73)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/12202213352D

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free base

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220904-83-6

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Raf

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Free Base

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1188910-76-0

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

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p38 MAPK

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Dimesylate

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862507-23-1

>  <URL> (76)
http://www.selleckchem.com/products/LY2228820.html

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p38 MAPK 

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Free Base

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>  <URL> (77)
http://www.selleckchem.com/products/VX-702.html

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1207293-36-4

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http://www.selleckchem.com/products/bi-847325.html

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csChFnd80/12202213352D

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MEK

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>  <CAS> (79)
1168091-68-6

>  <URL> (79)
http://www.selleckchem.com/products/gdc-0623.html

$$$$
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csChFnd80/12202213352D

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81

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>  <Name> (80)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (80)
N/A

>  <Target> (80)
Antifection

>  <Form> (80)
sodium salt

>  <CAS> (80)
35807-85-3

>  <URL> (80)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
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csChFnd80/12202213352D

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>  <Form> (81)
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>  <CAS> (81)
193551-21-2

>  <URL> (81)
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$$$$
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M  END
>  <Mol_ID> (82)
83

>  <Formula> (82)
C24H26N4O

>  <MolWeight> (82)
386.48944

>  <Cat> (82)
S7963

>  <Name> (82)
TIC10

>  <Synonyms> (82)
N/A

>  <Target> (82)
Akt

>  <Form> (82)
Free Base

>  <CAS> (82)
1616632-77-9

>  <URL> (82)
http://www.selleck.cn/products/tic-10.html

$$$$

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M  END
>  <Mol_ID> (83)
84

>  <Formula> (83)
C52H86O21

>  <MolWeight> (83)
1047.22664

>  <Cat> (83)
S5151

>  <Name> (83)
Gypenoside

>  <Synonyms> (83)
N/A

>  <Target> (83)
Others

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

$$$$
S3813 Bakuchiol.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (84)
85

>  <Formula> (84)
C18H24O

>  <MolWeight> (84)
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>  <Cat> (84)
S3813

>  <Name> (84)
Bakuchiol

>  <Synonyms> (84)
(S)-(+)-Bakuchiol

>  <Target> (84)
Immunology & Inflammation related

>  <Form> (84)
free base

>  <CAS> (84)
10309-37-2

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

$$$$
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csChFnd80/12202213352D

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>  <Mol_ID> (85)
86

>  <Formula> (85)
C17H15BrF2N4O3

>  <MolWeight> (85)
441.2268064

>  <Cat> (85)
S7007

>  <Name> (85)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (85)
N/A

>  <Target> (85)
MEK

>  <Form> (85)
Free Base

>  <CAS> (85)
606143-89-9

>  <URL> (85)
http://www.selleckchem.com/products/mek162.html

$$$$
TIC10.cdx
csChFnd80/12202213352D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (86)
87

>  <Formula> (86)
C24H26N4O

>  <MolWeight> (86)
386.48944

>  <Cat> (86)
S7127

>  <Name> (86)
TIC10 analogue

>  <Synonyms> (86)
TRAIL-inducing Compound 10

>  <Target> (86)
Akt

>  <Form> (86)
Free Base

>  <CAS> (86)
41276-02-2

>  <URL> (86)
http://www.selleckchem.com/products/tic10.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (87)
88

>  <Formula> (87)
C26H27N5O5S2

>  <MolWeight> (87)
553.65308

>  <Cat> (87)
S7207

>  <Name> (87)
Ro 31-8220 Mesylate

>  <Synonyms> (87)
Bisindolylmaleimide IX Mesylate

>  <Target> (87)
PKC

>  <Form> (87)
Mesylate

>  <CAS> (87)
138489-18-6

>  <URL> (87)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Skepinone-L.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (88)
89

>  <Formula> (88)
C24H21F2NO4

>  <MolWeight> (88)
425.4246464

>  <Cat> (88)
S7214

>  <Name> (88)
Skepinone-L

>  <Synonyms> (88)
N/A

>  <Target> (88)
p38 MAPK

>  <Form> (88)
Free Base

>  <CAS> (88)
1221485-83-1

>  <URL> (88)
http://www.selleckchem.com/products/skepinone-l.html

$$$$
Sorafenib.cdx
csChFnd80/12202213352D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (89)
90

>  <Formula> (89)
C21H16ClF3N4O3

>  <MolWeight> (89)
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>  <Cat> (89)
S7397

>  <Name> (89)
Sorafenib

>  <Synonyms> (89)
BAY 43-9006

>  <Target> (89)
Raf

>  <Form> (89)
Free Base

>  <CAS> (89)
284461-73-0

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

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (90)
91

>  <Formula> (90)
C17H22Cl2N2O3S

>  <MolWeight> (90)
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>  <Cat> (90)
S7333

>  <Name> (90)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (90)
N/A

>  <Target> (90)
Rho

>  <Form> (90)
Free Base

>  <CAS> (90)
No

>  <URL> (90)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
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>  <Mol_ID> (91)
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>  <Formula> (91)
C11H9FN6

>  <MolWeight> (91)
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>  <Cat> (91)
S7421

>  <Name> (91)
CGP 57380

>  <Synonyms> (91)
N/A

>  <Target> (91)
MNK

>  <Form> (91)
Free Base

>  <CAS> (91)
522629-08-9

>  <URL> (91)
http://www.selleckchem.com/products/cgp57380.html

$$$$
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>  <Mol_ID> (92)
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>  <Formula> (92)
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>  <MolWeight> (92)
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>  <Cat> (92)
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>  <Name> (92)
AZD9291

>  <Synonyms> (92)
N/A

>  <Target> (92)
EGFR

>  <Form> (92)
Free Base

>  <CAS> (92)
1421373-65-0

>  <URL> (92)
http://www.selleckchem.com/products/azd9291.html

$$$$
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M  END
>  <Mol_ID> (93)
94

>  <Formula> (93)
C22H26FN3O2

>  <MolWeight> (93)
383.4591432

>  <Cat> (93)
S7215

>  <Name> (93)
Losmapimod

>  <Synonyms> (93)
GW856553X, GW856553, GSK-AHAB

>  <Target> (93)
p38 MAPK

>  <Form> (93)
Free Base

>  <CAS> (93)
585543-15-3

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

$$$$
XMD8-92.cdx
csChFnd80/12202213352D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (94)
95

>  <Formula> (94)
C26H30N6O3

>  <MolWeight> (94)
474.5548

>  <Cat> (94)
S7525

>  <Name> (94)
XMD8-92

>  <Synonyms> (94)
N/A

>  <Target> (94)
ERK

>  <Form> (94)
Free Base

>  <CAS> (94)
1234480-50-2

>  <URL> (94)
http://www.selleckchem.com/products/xmd8-92.html

$$$$
FR 180204.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (95)
96

>  <Formula> (95)
C18H13N7

>  <MolWeight> (95)
327.34272

>  <Cat> (95)
S7524

>  <Name> (95)
FR 180204

>  <Synonyms> (95)
N/A

>  <Target> (95)
ERK

>  <Form> (95)
Free Base

>  <CAS> (95)
865362-74-9

>  <URL> (95)
http://www.selleckchem.com/products/fr180204.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/12202213352D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (96)
97

>  <Formula> (96)
C16H21ClIN3O4S

>  <MolWeight> (96)
513.77811

>  <Cat> (96)
S7332

>  <Name> (96)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (96)
N/A

>  <Target> (96)
Rho

>  <Form> (96)
Free Base

>  <CAS> (96)
1469337-91-4

>  <URL> (96)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
deltarasin.cdx
csChFnd80/12202213352D

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 20  8  1  0  0  0  0
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M  END
>  <Mol_ID> (97)
98

>  <Formula> (97)
C40H37N5O

>  <MolWeight> (97)
603.75468

>  <Cat> (97)
S7224

>  <Name> (97)
Deltarasin

>  <Synonyms> (97)
N/A

>  <Target> (97)
PDE

>  <Form> (97)
Free Base

>  <CAS> (97)
1440898-61-2

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

$$$$
6H05.cdx
csChFnd80/12202213352D

 36 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (98)
99

>  <Formula> (98)
C22H31ClF3N3O4S3

>  <MolWeight> (98)
590.1424496

>  <Cat> (98)
S7330

>  <Name> (98)
6H05

>  <Synonyms> (98)
N/A

>  <Target> (98)
Rho

>  <Form> (98)
Free Base

>  <CAS> (98)
No

>  <URL> (98)
http://www.selleckchem.com/products/6h05.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/12202213352D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (99)
100

>  <Formula> (99)
C15H17ClIN3O3

>  <MolWeight> (99)
449.67125

>  <Cat> (99)
S7331

>  <Name> (99)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (99)
N/A

>  <Target> (99)
Rho

>  <Form> (99)
Free Base

>  <CAS> (99)
1469337-95-8

>  <URL> (99)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
URMC-099.cdx
csChFnd80/12202213352D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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 11 32  1  0  0  0  0
M  END
>  <Mol_ID> (100)
101

>  <Formula> (100)
C27H27N5

>  <MolWeight> (100)
421.53678

>  <Cat> (100)
S7343

>  <Name> (100)
URMC-099

>  <Synonyms> (100)
N/A

>  <Target> (100)
Others

>  <Form> (100)
Free Base

>  <CAS> (100)
1229582-33-5

>  <URL> (100)
http://www.selleckchem.com/products/urmc-099.html

$$$$
DTP3.cdx
csChFnd80/12202213352D

 38 39  0  0  0  0  0  0  0  0999 V2000
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71203-35-5

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20069-09-4

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

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162520-00-5

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

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>  <Mol_ID> (106)
107

>  <Formula> (106)
C28H27F4N7O3S

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617.6176928

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S7704

>  <Name> (106)
LY2584702 tosylate

>  <Synonyms> (106)
N/A

>  <Target> (106)
S6 Kinase

>  <Form> (106)
Free Base

>  <CAS> (106)
1082949-68-5

>  <URL> (106)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
Anisomycin.cdx
csChFnd80/12202213352D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (107)
108

>  <Formula> (107)
C14H19NO4

>  <MolWeight> (107)
265.30496

>  <Cat> (107)
S7409

>  <Name> (107)
Anisomycin

>  <Synonyms> (107)
Flagecidin 

>  <Target> (107)
JNK

>  <Form> (107)
Free Base

>  <CAS> (107)
22862-76-6

>  <URL> (107)
http://www.selleckchem.com/products/anisomycin.html

$$$$
ERK5-IN-1.cdx
csChFnd80/12202213352D

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 31 47  1  0  0  0  0
M  END
>  <Mol_ID> (108)
109

>  <Formula> (108)
C36H46N8O3

>  <MolWeight> (108)
638.80224

>  <Cat> (108)
S7334

>  <Name> (108)
ERK5-IN-1

>  <Synonyms> (108)
N/A

>  <Target> (108)
ERK

>  <Form> (108)
Free Base

>  <CAS> (108)
1435488-37-1

>  <URL> (108)
http://www.selleckchem.com/products/erk5-in-1.html

$$$$
ARRY-614.cdx
csChFnd80/12202213352D

 41 45  0  0  0  0  0  0  0  0999 V2000
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 23 40  2  0  0  0  0
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M  END
>  <Mol_ID> (109)
110

>  <Formula> (109)
C31H33FN6O3

>  <MolWeight> (109)
556.6305232

>  <Cat> (109)
S7799

>  <Name> (109)
Pexmetinib (ARRY-614)

>  <Synonyms> (109)
N/A

>  <Target> (109)
p38 MAPK

>  <Form> (109)
Free Base

>  <CAS> (109)
945614-12-0

>  <URL> (109)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/12202213352D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (110)
111

>  <Formula> (110)
C23H29FN6O

>  <MolWeight> (110)
424.5143632

>  <Cat> (110)
S7842

>  <Name> (110)
LY3009120

>  <Synonyms> (110)
N/A

>  <Target> (110)
Raf

>  <Form> (110)
Free Base

>  <CAS> (110)
1454682-72-4

>  <URL> (110)
http://www.selleckchem.com/products/ly3009120.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/12202213352D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.9146    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (111)
112

>  <Formula> (111)
C21H21F3IN3O2

>  <MolWeight> (111)
531.3100196

>  <Cat> (111)
S8041

>  <Name> (111)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (111)
XL518

>  <Target> (111)
MEK

>  <Form> (111)
Free Base

>  <CAS> (111)
934660-93-2

>  <URL> (111)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/12202213352D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (112)
113

>  <Formula> (112)
C21H22Cl2N4O2

>  <MolWeight> (112)
433.33098

>  <Cat> (112)
S7854

>  <Name> (112)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (112)
N/A

>  <Target> (112)
ERK

>  <Form> (112)
Free Base

>  <CAS> (112)
869886-67-9

>  <URL> (112)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Licochalcone A.cdx
csChFnd80/12202213352D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (113)
114

>  <Formula> (113)
C21H22O4

>  <MolWeight> (113)
338.39698

>  <Cat> (113)
S7828

>  <Name> (113)
Licochalcone A

>  <Synonyms> (113)
N/A

>  <Target> (113)
Estrogen/progestogen Receptor

>  <Form> (113)
Free Base

>  <CAS> (113)
58749-22-7

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

$$$$

csChFnd80/12202213352D

 33 37  0  0  0  0  0  0  0  0999 V2000
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946128-88-7

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896720-20-0

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123

>  <Formula> (122)
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>  <Cat> (122)
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>  <Name> (122)
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>  <Synonyms> (122)
N/A

>  <Target> (122)
ERK

>  <Form> (122)
Free Base

>  <CAS> (122)
839707-37-8

>  <URL> (122)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$
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csChFnd80/12202213352D

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>  <Mol_ID> (123)
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>  <Formula> (123)
C24H22F2N6O3S

>  <MolWeight> (123)
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>  <Cat> (123)
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>  <Name> (123)
PLX7904

>  <Synonyms> (123)
PB04

>  <Target> (123)
Raf

>  <Form> (123)
Free Base

>  <CAS> (123)
1393465-84-3

>  <URL> (123)
http://www.selleckchem.com/products/plx7904.html

$$$$
BI-78D3.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (124)
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>  <Formula> (124)
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>  <Cat> (124)
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>  <Name> (124)
BI-78D3

>  <Synonyms> (124)
N/A

>  <Target> (124)
JNK

>  <Form> (124)
Free Base

>  <CAS> (124)
883065-90-5

>  <URL> (124)
http://www.selleckchem.com/products/bi-78d3.html

$$$$
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>  <Mol_ID> (125)
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>  <Formula> (125)
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>  <MolWeight> (125)
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>  <Cat> (125)
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>  <Name> (125)
NQDI-1

>  <Synonyms> (125)
N/A

>  <Target> (125)
Caspase

>  <Form> (125)
Free Base

>  <CAS> (125)
175026-96-7

>  <URL> (125)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
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>  <Mol_ID> (126)
127

>  <Formula> (126)
C15H11ClF3N5O4S

>  <MolWeight> (126)
449.7921496

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S8303

>  <Name> (126)
Kobe0065

>  <Synonyms> (126)
N/A

>  <Target> (126)
Rho

>  <Form> (126)
Free Base

>  <CAS> (126)
436133-68-5

>  <URL> (126)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (127)
128

>  <Formula> (127)
C24H24FN7O

>  <MolWeight> (127)
445.4920632

>  <Cat> (127)
S8292

>  <Name> (127)
Selonsertib (GS-4997)

>  <Synonyms> (127)
N/A

>  <Target> (127)
Caspase

>  <Form> (127)
Free Base

>  <CAS> (127)
1448428-04-3

>  <URL> (127)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
SIS3.cdx
csChFnd80/12202213352D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
129

>  <Formula> (128)
C28H28ClN3O3

>  <MolWeight> (128)
489.99322

>  <Cat> (128)
S7959

>  <Name> (128)
SIS3 HCl

>  <Synonyms> (128)
N/A

>  <Target> (128)
TGF-beta/Smad

>  <Form> (128)
hydrochloride

>  <CAS> (128)
521984-48-5

>  <URL> (128)
http://www.selleckchem.com/products/sis3.html

$$$$
Necrosulfonamide.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (129)
130

>  <Formula> (129)
C18H15N5O6S2

>  <MolWeight> (129)
461.4716

>  <Cat> (129)
S8251

>  <Name> (129)
Necrosulfonamide

>  <Synonyms> (129)
N/A

>  <Target> (129)
Others

>  <Form> (129)
Free Base

>  <CAS> (129)
1360614-48-7

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

$$$$
APS-2-79.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (130)
131

>  <Formula> (130)
C23H22ClN3O3

>  <MolWeight> (130)
423.89208

>  <Cat> (130)
S8355

>  <Name> (130)
APS-2-79 HCl

>  <Synonyms> (130)
N/A

>  <Target> (130)
MEK

>  <Form> (130)
hydrochloride

>  <CAS> (130)
2002381-31-7

>  <URL> (130)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/12202213352D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
132

>  <Formula> (131)
C22H15F3N4O2

>  <MolWeight> (131)
424.3753096

>  <Cat> (131)
S8189

>  <Name> (131)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (131)
N/A

>  <Target> (131)
VEGFR

>  <Form> (131)
Free Base

>  <CAS> (131)
861875-60-7

>  <URL> (131)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/12202213352D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (132)
133

>  <Formula> (132)
C19H20F2N4O4

>  <MolWeight> (132)
406.3833064

>  <Cat> (132)
S8125

>  <Name> (132)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (132)
N/A

>  <Target> (132)
p38 MAPK

>  <Form> (132)
Free Base

>  <CAS> (132)
449811-01-2

>  <URL> (132)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OTS514.cdx
csChFnd80/12202213352D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
134

>  <Formula> (133)
C21H21ClN2O2S

>  <MolWeight> (133)
400.92164

>  <Cat> (133)
S7652

>  <Name> (133)
OTS514 hydrochloride

>  <Synonyms> (133)
N/A

>  <Target> (133)
TOPK

>  <Form> (133)
hydrochloride

>  <CAS> (133)
1338540-63-8(free base)

>  <URL> (133)
http://www.selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/12202213352D

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MNK

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Free Base

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1849590-01-7

>  <URL> (134)
http://www.selleckchem.com/products/eft-508.html

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CCT196969

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N/A

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Raf

>  <Form> (135)
Free Base

>  <CAS> (135)
1163719-56-9

>  <URL> (135)
http://www.selleckchem.com/products/cct196969.html

$$$$
OTS964.cdx
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137

>  <Formula> (136)
C23H26Cl2N2O2S

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>  <Cat> (136)
S7648

>  <Name> (136)
OTS964

>  <Synonyms> (136)
N/A

>  <Target> (136)
Others

>  <Form> (136)
dihydrochloride

>  <CAS> (136)
1338545-07-5(HCl salt)

>  <URL> (136)
http://www.selleckchem.com/products/ots964.html

$$$$
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138

>  <Formula> (137)
C21H24ClF3N6O2

>  <MolWeight> (137)
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>  <Cat> (137)
S8490

>  <Name> (137)
Tanzisertib(CC-930)

>  <Synonyms> (137)
JNK-930|JNKI-1

>  <Target> (137)
JNK

>  <Form> (137)
hydrochloride

>  <CAS> (137)
899805-25-5 (free base)

>  <URL> (137)
http://www.selleckchem.com/products/cc-930.html

$$$$
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K-Ras(G12C)

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free base

>  <CAS> (138)
1629268-00-3

>  <URL> (138)
http://www.selleckchem.com/products/ars-853.html

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AD80.cdx
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140

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C22H19F4N7O

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473.4261728

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S8518

>  <Name> (139)
AD80

>  <Synonyms> (139)
N/A

>  <Target> (139)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (139)
free base

>  <CAS> (139)
1384071-99-1

>  <URL> (139)
http://www.selleckchem.com/products/ad80.html

$$$$
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N/A

>  <Target> (140)
ERK1,ERK2

>  <Form> (140)
free base

>  <CAS> (140)
1951483-29-6

>  <URL> (140)
http://www.selleckchem.com/products/ly3214996.html

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>  <Mol_ID> (141)
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EDHS-206

>  <Target> (141)
TAK1,IRAK4,IRAK1

>  <Form> (141)
free base

>  <CAS> (141)
1111556-37-6

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

$$$$
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 14 18  1  0  0  0  0
  3 10  1  0  0  0  0
  9 33  1  0  0  0  0
M  END
>  <Mol_ID> (142)
143

>  <Formula> (142)
C21H17ClF4N4O4

>  <MolWeight> (142)
500.8306928

>  <Cat> (142)
S5077

>  <Name> (142)
Regorafenib Monohydrate

>  <Synonyms> (142)
N/A

>  <Target> (142)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (142)
monohydrate

>  <CAS> (142)
1019206-88-2

>  <URL> (142)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
RAF709.cdx
csChFnd80/12202213352D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 20  7  1  0  0  0  0
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 22 23  2  0  0  0  0
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 25  9  1  0  0  0  0
 25 26  1  0  0  0  0
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 31 32  1  0  0  0  0
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 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (143)
144

>  <Formula> (143)
C28H29F3N4O4

>  <MolWeight> (143)
542.5494696

>  <Cat> (143)
S8690

>  <Name> (143)
RAF709

>  <Synonyms> (143)
N/A

>  <Target> (143)
Raf

>  <Form> (143)
free base

>  <CAS> (143)
1628838-42-5

>  <URL> (143)
http://selleckchem.com/products/raf709.html

$$$$
Cu-CPT22.cdx
csChFnd80/12202213352D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8355    7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 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
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  5 16  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (144)
145

>  <Formula> (144)
C19H22O7

>  <MolWeight> (144)
362.37378

>  <Cat> (144)
S8677

>  <Name> (144)
Cu-CPT22

>  <Synonyms> (144)
N/A

>  <Target> (144)
TLR

>  <Form> (144)
free base

>  <CAS> (144)
1416324-85-0

>  <URL> (144)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/12202213352D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6324    3.4790    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
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  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
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  8 13  2  0  0  0  0
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 10 15  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (145)
146

>  <Formula> (145)
C23H26ClN

>  <MolWeight> (145)
351.91224

>  <Cat> (145)
S5279

>  <Name> (145)
Fendiline hydrochloride

>  <Synonyms> (145)
N/A

>  <Target> (145)
Calcium Channel,Ras

>  <Form> (145)
hydrochloride 

>  <CAS> (145)
13636-18-5

>  <URL> (145)
http://selleckchem.com/products/fendiline-hydrochloride.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/12202213352D

 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
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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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    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
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (146)
147

>  <Formula> (146)
C21H28O2

>  <MolWeight> (146)
312.44582

>  <Cat> (146)
S3792

>  <Name> (146)
Guggulsterone E&Z

>  <Synonyms> (146)
N/A

>  <Target> (146)
FXR

>  <Form> (146)
free base

>  <CAS> (146)
95975-55-6

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

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/12202213352D

 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
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (147)
148

>  <Formula> (147)
C24H24F3N5O5S3

>  <MolWeight> (147)
615.6680696

>  <Cat> (147)
S5069

>  <Name> (147)
Dabrafenib Mesylate

>  <Synonyms> (147)
GSK2118436 Mesylate

>  <Target> (147)
Raf

>  <Form> (147)
mesylate

>  <CAS> (147)
1195768-06-9

>  <URL> (147)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/12202213352D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
149

>  <Formula> (148)
C11H12O4

>  <MolWeight> (148)
208.21058

>  <Cat> (148)
S5451

>  <Name> (148)
Ferulic acid methyl ester

>  <Synonyms> (148)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (148)
Immunology & Inflammation related

>  <Form> (148)
free base

>  <CAS> (148)
149567

>  <URL> (148)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/12202213352D

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 10  5  1  0  0  0  0
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 22 21  1  1  0  0  0
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 25 29  1  6  0  0  0
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 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  1  0  0  0
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 30 42  1  0  0  0  0
M  END
>  <Mol_ID> (149)
150

>  <Formula> (149)
C27H30O15

>  <MolWeight> (149)
594.5181

>  <Cat> (149)
S5468

>  <Name> (149)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (149)
Kaempferol 3-neohesperidoside

>  <Target> (149)
Others

>  <Form> (149)
salt

>  <CAS> (149)
40437-72-7

>  <URL> (149)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
UM-164.cdx
csChFnd80/12202213352D

 45 49  0  0  0  0  0  0  0  0999 V2000
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  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 29 30  1  0  0  0  0
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 30 34  1  0  0  0  0
  7 35  1  0  0  0  0
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 38 39  1  0  0  0  0
 39  7  1  0  0  0  0
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 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 34 43  1  0  0  0  0
 34 44  1  0  0  0  0
 34 45  1  0  0  0  0
M  END
>  <Mol_ID> (150)
151

>  <Formula> (150)
C30H31F3N8O3S

>  <MolWeight> (150)
640.6791496

>  <Cat> (150)
S8706

>  <Name> (150)
UM-164

>  <Synonyms> (150)
N/A

>  <Target> (150)
Src,p38 MAPK

>  <Form> (150)
free base

>  <CAS> (150)
903564-48-7

>  <URL> (150)
http://selleckchem.com/products/um-164.html

$$$$
S5373 Pseudolaric Acid B.cdx
csChFnd80/12202213352D

 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
    8.3730    9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4519    8.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.9944    4.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6045    8.4731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3730   10.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523    9.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4625    6.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0939    6.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6890    7.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    5.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9944    3.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9729    4.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    0.0000    7.9943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3096    1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0204    2.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7678    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7412    1.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3890    5.0733    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  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  3 32  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
  9 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  2  0  0  0  0
 15 18  2  0  0  0  0
 16 21  2  0  0  0  0
 18 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
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 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (151)
152

>  <Formula> (151)
C23H28O8

>  <MolWeight> (151)
432.46362

>  <Cat> (151)
S5373

>  <Name> (151)
Pseudolaric Acid B

>  <Synonyms> (151)
N/A

>  <Target> (151)
p38

>  <Form> (151)
S5369

>  <CAS> (151)
82508-31-4 

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

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/12202213352D

 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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  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> (152)
153

>  <Formula> (152)
C8H8O3

>  <MolWeight> (152)
152.14732

>  <Cat> (152)
S9374

>  <Name> (152)
2',5'-Dihydroxyacetophenone

>  <CAS> (152)
490-78-8

$$$$
S9385 Ligustilide.cdx
csChFnd80/12202213352D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4307    3.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    1.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    3.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    3.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    1.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    2.5159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    4.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5878    5.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0379    6.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4118    6.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (153)
154

>  <Formula> (153)
C12H14O2

>  <MolWeight> (153)
190.23836

>  <Cat> (153)
S9385

>  <Name> (153)
Ligustilide

>  <CAS> (153)
4431-01-0

$$$$
S9408 Beta-Elemonic.cdx
csChFnd80/12202213352D

 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
    8.6354    3.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9122    4.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0950    2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6354    6.1612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0950    6.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    7.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4923    5.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6812    3.6205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9122    5.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9122    1.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    7.4826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6812    2.2084    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4621    4.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6812    5.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3855    7.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4621    1.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    3.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3631    6.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4725    9.7213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441    8.2308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0518    0.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7147    7.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7046    6.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0260    6.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3665    4.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6812    0.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0354    6.1612    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  5  1  1  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  1  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  1  0  0  0
 16 21  1  0  0  0  0
 16 34  1  6  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 26  1  0  0  0  0
 23 29  1  0  0  0  0
 26 30  2  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  8 35  1  1  0  0  0
M  END
>  <Mol_ID> (154)
155

>  <Formula> (154)
C30H46O3

>  <MolWeight> (154)
454.68444

>  <Cat> (154)
S9408

>  <Name> (154)
Beta-Elemonic

>  <Form> (154)
free base

>  <CAS> (154)
28282-25-9

$$$$
S9430 Tomatidine.cdx
csChFnd80/12202213352D

 37 41  0  0  0  0  0  0  0  0999 V2000
   10.7826    6.6746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5520    6.6746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7711    5.5680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7826    8.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9994    5.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5403    5.4928    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3177    7.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7398    4.7859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9994    8.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    6.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3177    4.8034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7398    3.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    8.1580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3177    3.4128    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1011    5.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3177    6.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4213    8.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1011    2.8391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8845    4.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    3.4128    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1011    1.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675    2.7115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8845    0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675    1.3385    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4509    3.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675    3.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509    0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    1.3385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5520    4.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6437    4.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  8 12  1  0  0  0  0
  8 32  1  6  0  0  0
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 10 13  1  0  0  0  0
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 13 17  1  6  0  0  0
 14 18  1  0  0  0  0
 14 33  1  6  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  1  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  6  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  1  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 24 36  1  6  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (155)
156

>  <Formula> (155)
C27H46ClNO2

>  <MolWeight> (155)
452.11264

>  <Cat> (155)
S9430

>  <Name> (155)
Tomatidine

>  <Form> (155)
free base

>  <CAS> (155)
6192-62-7

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/12202213352D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.2697    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8431    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9020    4.9212    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  2  0  0  0  0
  2  5  2  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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (156)
157

>  <Formula> (156)
C22H24NO4+

>  <MolWeight> (156)
366.43026

>  <Cat> (156)
S9431

>  <Name> (156)
Dehydrocorydalin

>  <Form> (156)
free base

>  <CAS> (156)
30045-16-0

$$$$

csChFnd80/12202213352D

 38 43  0  0  0  0  0  0  0  0999 V2000
    2.6082    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8207    3.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0332    3.9699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8573    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  7  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 31  1  0  0  0  0
 36 38  1  6  0  0  0
M  END
>  <Mol_ID> (157)
158

>  <Formula> (157)
C25H21F3N6O3S

>  <MolWeight> (157)
542.5328496

>  <Cat> (157)
S7965

>  <Name> (157)
PLX8394

>  <Synonyms> (157)
N/A

>  <Target> (157)
Raf

>  <Form> (157)
Free Base

>  <CAS> (157)
1393466-87-9

>  <URL> (157)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/12202213352D

 25 28  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
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    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (158)
159

>  <Formula> (158)
C20H16N4O

>  <MolWeight> (158)
328.36724

>  <Cat> (158)
S8729

>  <Name> (158)
AZ32

>  <Synonyms> (158)
N/A

>  <Target> (158)
ATM/ATR

>  <Form> (158)
Free Base

>  <CAS> (158)
No CAS

>  <URL> (158)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/12202213352D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (159)
160

>  <Formula> (159)
C25H25F3N4O4

>  <MolWeight> (159)
502.4856096

>  <Cat> (159)
S8745

>  <Name> (159)
LXH254

>  <Synonyms> (159)
N/A

>  <Target> (159)
Raf

>  <Form> (159)
Free Base

>  <CAS> (159)
1800398-38-2

>  <URL> (159)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/12202213352D

 30 31  0  0  0  0  0  0  0  0999 V2000
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 28  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
>  <Mol_ID> (160)
161

>  <Formula> (160)
C23H24ClF2NO3

>  <MolWeight> (160)
435.8913664

>  <Cat> (160)
S8756

>  <Name> (160)
XRK3F2

>  <Synonyms> (160)
N/A

>  <Target> (160)
Others

>  <Form> (160)
Free Base

>  <CAS> (160)
No CAS

>  <URL> (160)
http://www.selleckchem.com/products/xrk3f2.html

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/12202213352D

 43 46  0  0  0  0  0  0  0  0999 V2000
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 38 39  2  0  0  0  0
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M  END
>  <Mol_ID> (161)
162

>  <Formula> (161)
C27H32O16

>  <MolWeight> (161)
612.53338

>  <Cat> (161)
S9061

>  <Name> (161)
Hydroxy safflor yellow A

>  <Form> (161)
free base

>  <CAS> (161)
78281-02-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/12202213352D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
163

>  <Formula> (162)
C26H32O14

>  <MolWeight> (162)
568.52388

>  <Cat> (162)
S9075

>  <Name> (162)
Mulberroside A

>  <Form> (162)
free base

>  <CAS> (162)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/12202213352D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (163)
164

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368.3799

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Anhydroicaritin

>  <Form> (163)
free base

>  <CAS> (163)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (164)
165

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S9084

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Rhoifolin

>  <Form> (164)
free base

>  <CAS> (164)
17306-46-6

$$$$
S9091 10-Gingerol.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (165)
166

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C21H34O4

>  <MolWeight> (165)
350.49226

>  <Cat> (165)
S9091

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10-Gingerol

>  <Form> (165)
free base

>  <CAS> (165)
23513-15-7

$$$$
S9092 Norisoboldine.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (166)
167

>  <Formula> (166)
C18H19NO4

>  <MolWeight> (166)
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>  <Cat> (166)
S9092

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Norisoboldine

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free base

>  <CAS> (166)
23599-69-1

$$$$
S9102 Magnolin.cdx
csChFnd80/12202213352D

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>  <CAS> (167)
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csChFnd80/12202213352D

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>  <MolWeight> (168)
316.26228

>  <Cat> (168)
S9111

>  <Name> (168)
Isorhamnetin

>  <Form> (168)
free base

>  <CAS> (168)
480-19-3

$$$$
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csChFnd80/12202213352D

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>  <MolWeight> (169)
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>  <Form> (169)
free base

>  <CAS> (169)
50773-41-6

$$$$
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csChFnd80/12202213352D

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>  <Cat> (170)
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>  <Name> (170)
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>  <CAS> (170)
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$$$$
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csChFnd80/12202213352D

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M  END
>  <Mol_ID> (171)
172

>  <Formula> (171)
C27H42O4

>  <MolWeight> (171)
430.61998

>  <Cat> (171)
S9183

>  <Name> (171)
Ruscogenin

>  <Form> (171)
free base

>  <CAS> (171)
472-11-7

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (172)
173

>  <Formula> (172)
C21H18ClNO4

>  <MolWeight> (172)
383.82492

>  <Cat> (172)
S9185

>  <Name> (172)
Nitidine Chloride

>  <Form> (172)
free base

>  <CAS> (172)
13063-04-2

$$$$
S9246 Tiliroside.cdx
csChFnd80/12202213352D

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>  <Mol_ID> (173)
174

>  <Formula> (173)
C30H26O13

>  <MolWeight> (173)
594.51964

>  <Cat> (173)
S9246

>  <Name> (173)
Tiliroside

>  <Form> (173)
free base

>  <CAS> (173)
20316-62-5

$$$$
S9281 Peimine.cdx
csChFnd80/12202213352D

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M  END
>  <Mol_ID> (174)
175

>  <Formula> (174)
C27H45NO3

>  <MolWeight> (174)
431.6511

>  <Cat> (174)
S9281

>  <Name> (174)
Peimine

>  <Form> (174)
free base

>  <CAS> (174)
23496-41-5

$$$$
S9287 Genkwanin.cdx
csChFnd80/12202213352D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (175)
176

>  <Formula> (175)
C16H12O5

>  <MolWeight> (175)
284.26348

>  <Cat> (175)
S9287

>  <Name> (175)
Genkwanin

>  <Form> (175)
free base

>  <CAS> (175)
437-64-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/12202213352D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
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 22 30  1  1  0  0  0
M  END
>  <Mol_ID> (176)
177

>  <Formula> (176)
C17H26O11

>  <MolWeight> (176)
406.38174

>  <Cat> (176)
S9307

>  <Name> (176)
Shanzhiside methyl ester

>  <Form> (176)
free base

>  <CAS> (176)
64421-28-9

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/12202213352D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (177)
178

>  <Formula> (177)
C21H22O7

>  <MolWeight> (177)
386.39518

>  <Cat> (177)
S9315

>  <Name> (177)
Praeruptorin A

>  <Form> (177)
free base

>  <CAS> (177)
73069-25-7

$$$$
S9035 Isovitexin.cdx
csChFnd80/12202213352D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (178)
179

>  <Formula> (178)
C21H20O10

>  <MolWeight> (178)
432.3775

>  <Cat> (178)
S9035

>  <Name> (178)
Isovitexin

>  <Form> (178)
free base

>  <CAS> (178)
29702-25-8

$$$$
S9328 5,6,7-Trimethoxyflavone.cdx
csChFnd80/12202213352D

 23 25  0  0  0  0  0  0  0  0999 V2000
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180

>  <Formula> (179)
C18H16O5

>  <MolWeight> (179)
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>  <Cat> (179)
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5,6,7-Trimethoxyflavone

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free base

>  <CAS> (179)
973-67-1

$$$$

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>  <Synonyms> (180)
AZD9291 mesylate

>  <Target> (180)
EGFR

>  <Form> (180)
mesylate

>  <CAS> (180)
1421373-66-1

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

$$$$

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M  END
>  <Mol_ID> (181)
182

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C6H11NOS2

>  <MolWeight> (181)
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sulforaphane

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N/A

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Nrf2

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Free Base

>  <CAS> (181)
4478-93-7

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

$$$$

csChFnd80/12202213352D

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N/A

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ERK

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Free Base

>  <CAS> (182)
1621999-82-3

>  <URL> (182)
http://www.selleckchem.com/products/cc-90003.html

$$$$

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  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  7 21  1  0  0  0  0
  5 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 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
 27 44  1  1  0  0  0
 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (183)
184

>  <Formula> (183)
C28H32O16

>  <MolWeight> (183)
624.54408

>  <Cat> (183)
S9455

>  <Name> (183)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (183)
N/A

>  <Target> (183)
Others

>  <Form> (183)
Free Base

>  <CAS> (183)
55033-90-4

>  <URL> (183)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/12202213352D

 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
    7.3952    5.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    3.4678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9460    4.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5957    6.3009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    8.5957    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1465    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    5.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    1.3550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8443    4.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0448    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8443    8.4140    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0448    7.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    4.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3470    2.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1465    4.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    4.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7889    4.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484    2.0752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3952    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0682    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8443    9.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    0.6826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    4.9085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    2.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    8.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1117    0.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7196    3.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0345    5.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 22  1  1  0  0  0
  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
  7  4  1  0  0  0  0
 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 31  1  6  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
  8 24  1  1  0  0  0
 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
 10 35  1  6  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 25 15  1  0  0  0  0
 15 28  1  6  0  0  0
 15 29  1  1  0  0  0
 19 17  1  0  0  0  0
 18 30  1  6  0  0  0
 19 18  1  0  0  0  0
 27 20  1  0  0  0  0
 27 25  1  0  0  0  0
 25 34  1  1  0  0  0
 36 28  1  0  0  0  0
 24 37  2  0  0  0  0
 24 38  1  0  0  0  0
M  END
>  <Mol_ID> (184)
185

>  <Formula> (184)
C30H48O5

>  <MolWeight> (184)
488.69912

>  <Cat> (184)
S9514

>  <Name> (184)
Rotundic acid

>  <Synonyms> (184)
Rutundic acid

>  <Target> (184)
Others

>  <Form> (184)
Free Base

>  <CAS> (184)
20137-37-5

>  <URL> (184)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/12202213352D

 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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (185)
186

>  <Formula> (185)
C10H8O5

>  <MolWeight> (185)
208.16752

>  <Cat> (185)
S9503

>  <Name> (185)
Fraxetin

>  <Synonyms> (185)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (185)
Others

>  <Form> (185)
free base

>  <CAS> (185)
574-84-5

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

$$$$

csChFnd80/12202213352D

 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
   12.1244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    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
    9.6995    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   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
    8.4870    8.4000    0.0000 C   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
    9.6995    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 O   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
    8.4870    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    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
   16.9741    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4871    0.0000    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
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  2  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
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
 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
 25 31  1  1  0  0  0
 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
 37 40  1  0  0  0  0
 37 41  1  6  0  0  0
 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> (186)
187

>  <Formula> (186)
C27H30O16R

>  <MolWeight> (186)
610.5175

>  <Cat> (186)
S6264

>  <Name> (186)
Rutin hydrate

>  <Synonyms> (186)
Quercetin-3-O-rutinoside, Rutoside, Sophorin

>  <Target> (186)
Others

>  <Form> (186)
free base

>  <CAS> (186)
207671-50-9

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

$$$$

csChFnd80/12202213352D

 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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (187)
188

>  <Formula> (187)
C9H10O4

>  <MolWeight> (187)
182.1733

>  <Cat> (187)
S6338

>  <Name> (187)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (187)
Dihydrocaffeic acid

>  <Target> (187)
Others

>  <Form> (187)
free base

>  <CAS> (187)
1078-61-1

>  <URL> (187)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/12202213352D

 50 56  0  0  0  0  0  0  0  0999 V2000
   16.9606    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9606    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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ERK

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1184173-73-6

>  <URL> (188)
http://www.selleck.cn/products/mk-8353-sch900353.html

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190

>  <Formula> (189)
C22H16F4N4OS

>  <MolWeight> (189)
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S8793

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>  <Synonyms> (189)
N/A

>  <Target> (189)
Autophagy

>  <Form> (189)
Free Base

>  <CAS> (189)
no cas

>  <URL> (189)
http://www.selleck.cn/products/ulk-101.html

$$$$

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>  <Mol_ID> (190)
191

>  <Formula> (190)
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>  <MolWeight> (190)
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>  <Cat> (190)
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>  <Name> (190)
PF-6260933

>  <Synonyms> (190)
N/A

>  <Target> (190)
Serine/threonin kina

>  <Form> (190)
free base

>  <CAS> (190)
1811510-56-1

>  <URL> (190)
http://www.selleck.cn/products/pf-6260933.html

$$$$

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>  <Mol_ID> (191)
192

>  <Formula> (191)
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>  <MolWeight> (191)
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>  <CAS> (191)
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>  <URL> (191)
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1353867-91-0

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   11.3380    3.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  0  0  0  0
 12  9  1  0  0  0  0
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M  END
>  <Mol_ID> (196)
197

>  <Formula> (196)
C18H24N6O

>  <MolWeight> (196)
340.42276

>  <Cat> (196)
S6531

>  <Name> (196)
Bohemine

>  <Synonyms> (196)
N/A

>  <Target> (196)
CDK

>  <Form> (196)
Free Base

>  <CAS> (196)
189232-42-6

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

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csChFnd80/12202213352D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (197)
198

>  <Formula> (197)
C15H9N3O

>  <MolWeight> (197)
247.25146

>  <Cat> (197)
S6711

>  <Name> (197)
IQ-1S

>  <Synonyms> (197)
N/A

>  <Target> (197)
JNK

>  <Form> (197)
Free Base

>  <CAS> (197)
23146-22-7

>  <URL> (197)
http://www.selleck.cn/products/iq-1s.html

$$$$

csChFnd80/12202213352D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   16.4632    3.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1009    2.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  5  1  0  0  0  0
  5  3  2  0  0  0  0
  3  2  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  9  5  1  0  0  0  0
  4  6  1  0  0  0  0
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 11 15  1  0  0  0  0
 15 14  2  0  0  0  0
 14 10  1  0  0  0  0
 10  6  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
 20 18  2  0  0  0  0
 18 16  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 25 27  1  0  0  0  0
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 30 28  1  0  0  0  0
 28 26  1  0  0  0  0
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M  END
>  <Mol_ID> (198)
199

>  <Formula> (198)
C22H25ClN6O

>  <MolWeight> (198)
424.9265

>  <Cat> (198)
S6730

>  <Name> (198)
CC-401 Hydrochloride

>  <Synonyms> (198)
N/A

>  <Target> (198)
JNK

>  <Form> (198)
Hydrochloride

>  <CAS> (198)
1438391-30-0

>  <URL> (198)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

csChFnd80/12202213352D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (199)
200

>  <Formula> (199)
C17H15N5O2

>  <MolWeight> (199)
321.3333

>  <Cat> (199)
S6740

>  <Name> (199)
DB07268

>  <Synonyms> (199)
N/A

>  <Target> (199)
JNK

>  <Form> (199)
Free Base

>  <CAS> (199)
929007-72-7

>  <URL> (199)
http://www.selleck.cn/products/db07268.html

$$$$

csChFnd80/12202213352D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (200)
201

>  <Formula> (200)
C23H16ClFN6OS

>  <MolWeight> (200)
478.9291432

>  <Cat> (200)
S8853

>  <Name> (200)
Belvarafenib(GDC5573, HM95573, RG6185)

>  <Synonyms> (200)
N/A

>  <Target> (200)
Raf

>  <Form> (200)
Free Base

>  <CAS> (200)
1446113-23-0

>  <URL> (200)
http://www.selleck.cn/products/belvarafenib.html

$$$$

csChFnd80/12202213352D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    8.4869    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   11.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869   10.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6680    4.4674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6680    6.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4911    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241   11.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    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  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
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 17 19  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 10 13  1  0  0  0  0
  4 10  1  0  0  0  0
  5 20  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
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 27  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
 36 37  1  0  0  0  0
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 38 39  1  0  0  0  0
 35 38  1  0  0  0  0
 31 32  1  0  0  0  0
 24 31  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (201)
202

>  <Formula> (201)
C29H30F3N5O2

>  <MolWeight> (201)
537.5760096

>  <Cat> (201)
S8868

>  <Name> (201)
NG25

>  <Synonyms> (201)
N/A

>  <Target> (201)
TGF-beta/Smad

>  <Form> (201)
Free Base

>  <CAS> (201)
1315355-93-1

>  <URL> (201)
http://www.selleck.cn/products/ng25.html

$$$$

csChFnd80/12202213352D

 37 40  0  0  0  0  0  0  0  0999 V2000
    2.1544    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8539    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 35  1  0  0  0  0
  2 33  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  2  0  0  0  0
 15 14  1  0  0  0  0
 15 24  2  0  0  0  0
 16 15  1  0  0  0  0
 16 21  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 31  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 32  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 33 34  1  0  0  0  0
 35 34  2  0  0  0  0
M  END
>  <Mol_ID> (202)
203

>  <Formula> (202)
C26H21Cl3N8

>  <MolWeight> (202)
551.85754

>  <Cat> (202)
S6660

>  <Name> (202)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (202)
N/A

>  <Target> (202)
Raf

>  <Form> (202)
Dihydrochloride

>  <CAS> (202)
1191385-19-9

>  <URL> (202)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/12202213352D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.0297    5.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0290    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8163    7.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6043    6.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6049    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8175    4.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    4.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2467    3.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3924    4.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1134    5.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6594    1.8026    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  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  9 14  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
  7 18  1  0  0  0  0
  5 10  1  0  0  0  0
  2 24  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
>  <Mol_ID> (203)
204

>  <Formula> (203)
C20H14ClN3O

>  <MolWeight> (203)
347.79766

>  <Cat> (203)
S6680

>  <Name> (203)
L-779450

>  <Synonyms> (203)
L-779,450

>  <Target> (203)
Raf

>  <Form> (203)
Free Base

>  <CAS> (203)
303727-31-3

>  <URL> (203)
http://www.selleck.cn/products/l-779450.html

$$$$

csChFnd80/12202213352D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1240    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1861    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3983    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6108    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0355    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8232    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  2  0  0  0  0
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 31 32  1  0  0  0  0
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 30 31  1  0  0  0  0
 21 30  1  0  0  0  0
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M  END
>  <Mol_ID> (204)
205

>  <Formula> (204)
C29H28F3N5O2

>  <MolWeight> (204)
535.5601296

>  <Cat> (204)
S2213

>  <Name> (204)
AMG-47a

>  <Synonyms> (204)
N/A

>  <Target> (204)
Src

>  <Form> (204)
Free Base

>  <CAS> (204)
882663-88-9

>  <URL> (204)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/12202213352D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (205)
206

>  <Formula> (205)
C16H19Cl2N3O4S

>  <MolWeight> (205)
420.31076

>  <Cat> (205)
S8900

>  <Name> (205)
SR18662 

>  <Synonyms> (205)
N/A

>  <Target> (205)
KLF

>  <Form> (205)
Free Base

>  <CAS> (205)
no cas

>  <URL> (205)
http://www.selleckchem.com/products/sr18662.html

$$$$

csChFnd80/12202213352D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (206)
207

>  <Formula> (206)
C26H23N5O2

>  <MolWeight> (206)
437.49312

>  <Cat> (206)
S8961

>  <Name> (206)
Alobresib (GS-5829)

>  <Synonyms> (206)
N/A

>  <Target> (206)
Epigenetic Reader Do

>  <Form> (206)
Free Base

>  <CAS> (206)
1637771-14-2

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

$$$$

csChFnd80/12202213352D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  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
  7 11  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
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M  END
>  <Mol_ID> (207)
208

>  <Formula> (207)
C20H13FN4O2

>  <MolWeight> (207)
360.3412232

>  <Cat> (207)
S5183

>  <Name> (207)
PD 169316

>  <Synonyms> (207)
N/A

>  <Target> (207)
p38 MAPK

>  <Form> (207)
Free Base

>  <CAS> (207)
152121-53-4

>  <URL> (207)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12202213352D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (208)
209

>  <Formula> (208)
C17H11BrFN3O2

>  <MolWeight> (208)
388.1905432

>  <Cat> (208)
S6786

>  <Name> (208)
ERK5-IN-2

>  <Synonyms> (208)
N/A

>  <Target> (208)
ERK

>  <Form> (208)
Free Base

>  <CAS> (208)
1888305-96-1

>  <URL> (208)
http://www.selleckchem.com/products/erk5-in-2.html

$$$$

csChFnd80/12202213352D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (209)
210

>  <Formula> (209)
C20H13F2N3

>  <MolWeight> (209)
333.3341264

>  <Cat> (209)
S6807

>  <Name> (209)
TA-02

>  <Synonyms> (209)
N/A

>  <Target> (209)
p38 MAPK

>  <Form> (209)
Free Base

>  <CAS> (209)
1784751-19-4

>  <URL> (209)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12202213352D

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M  END
>  <Mol_ID> (210)
211

>  <Formula> (210)
C43H46F3N7O7S

>  <MolWeight> (210)
861.9282496

>  <Cat> (210)
S8888

>  <Name> (210)
GMB-475

>  <Synonyms> (210)
N/A

>  <Target> (210)
PROTAC

>  <Form> (210)
Free Base

>  <CAS> (210)
no cas

>  <URL> (210)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/12202213352D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (211)
212

>  <Formula> (211)
C11H13NOS

>  <MolWeight> (211)
207.29202

>  <Cat> (211)
S0023

>  <Name> (211)
K-Ras-IN-1

>  <Target> (211)
Ras

>  <Form> (211)
free base

>  <CAS> (211)
84783-01-7

>  <URL> (211)
http://www.selleckchem.com/products/k-ras-in-1.html

$$$$

csChFnd80/12202213352D

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M  END
>  <Mol_ID> (212)
213

>  <Formula> (212)
C21H19N3O3

>  <MolWeight> (212)
361.39386

>  <Cat> (212)
S0268

>  <Name> (212)
DMX-5084

>  <Target> (212)
MAP4K

>  <Form> (212)
free base

>  <CAS> (212)
2306178-56-1

>  <URL> (212)
http://www.selleckchem.com/products/dmx-5084.html

$$$$

csChFnd80/12202213352D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    7.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6974    6.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6873    7.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0701    7.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057    8.7668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    9.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4683    9.1211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034    6.2763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9340   11.1347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 12 13  1  0  0  0  0
 11 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (213)
214

>  <Formula> (213)
C14H10N4O3S

>  <MolWeight> (213)
314.3192

>  <Cat> (213)
S0458

>  <Name> (213)
KY1220

>  <Target> (213)
Wnt/beta-catenin

>  <Form> (213)
free base

>  <CAS> (213)
292168-79-7

>  <URL> (213)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/12202213352D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7024    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    3.3167    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
    3.5122    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    3.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0222    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0844    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2968    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5092    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7217    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9341    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1465    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3590    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5714    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7838    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2087    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10  1  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (214)
215

>  <Formula> (214)
C23H40N2O3

>  <MolWeight> (214)
392.5753

>  <Cat> (214)
S0752

>  <Name> (214)
AUDA

>  <Target> (214)
Epoxide Hydrolase

>  <Form> (214)
free base

>  <CAS> (214)
479413-70-2

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

$$$$

csChFnd80/12202213352D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.8101    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    9.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5380    6.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3316    6.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6430    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9287    6.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    8.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    4.8523    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  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> (215)
216

>  <Formula> (215)
C30H48O7

>  <MolWeight> (215)
520.69792

>  <Cat> (215)
S0949

>  <Name> (215)
Cucurbitacin IIb

>  <Target> (215)
STAT

>  <Form> (215)
free base

>  <CAS> (215)
50298-90-3

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

$$$$

csChFnd80/12202213352D

 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
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    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
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    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> (216)
217

>  <Formula> (216)
C7H14O6

>  <MolWeight> (216)
194.18246

>  <Cat> (216)
S3223

>  <Name> (216)
L-Quebrachitol

>  <Target> (216)
TGF-beta/Smad

>  <Form> (216)
free base

>  <CAS> (216)
642-38-6

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

$$$$

csChFnd80/12202213352D

 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
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    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
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    7.0359    5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2677    8.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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> (217)
218

>  <Formula> (217)
C20H28O2

>  <MolWeight> (217)
300.43512

>  <Cat> (217)
S3226

>  <Name> (217)
Dehydroabietic acid

>  <Target> (217)
Anti-infection

>  <Form> (217)
free base

>  <CAS> (217)
1740-19-8

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

$$$$

csChFnd80/12202213352D

 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
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   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> (218)
219

>  <Formula> (218)
C24H32O4

>  <MolWeight> (218)
384.50848

>  <Cat> (218)
S3238

>  <Name> (218)
Resibufogenin

>  <Target> (218)
RIP kinase

>  <Form> (218)
free base

>  <CAS> (218)
465-39-4

>  <URL> (218)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/12202213352D

 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
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    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
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   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
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    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> (219)
220

>  <Formula> (219)
C18H20O5

>  <MolWeight> (219)
316.3484

>  <Cat> (219)
S3242

>  <Name> (219)
Loureirin B

>  <Target> (219)
PAI-1

>  <Form> (219)
free base

>  <CAS> (219)
119425-90-0

>  <URL> (219)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/12202213352D

 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
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    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
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 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (220)
221

>  <Formula> (220)
C12H16O4

>  <MolWeight> (220)
224.25304

>  <Cat> (220)
S3275

>  <Name> (220)
Senkyunolide I

>  <Target> (220)
ERK

>  <Form> (220)
free base

>  <CAS> (220)
94596-28-8

>  <URL> (220)
http://www.selleckchem.com/products/senkyunolide-i.html

$$$$

csChFnd80/12202213352D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    8.4000    0.0000 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
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   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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
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  3 25  1  0  0  0  0
 20  4  1  1  0  0  0
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 17  5  1  1  0  0  0
 18  6  1  6  0  0  0
 21  7  1  6  0  0  0
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 24  9  1  1  0  0  0
 10 26  1  0  0  0  0
 11 29  1  0  0  0  0
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 13 34  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 26  1  1  0  0  0
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 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
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 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> (221)
222

>  <Formula> (221)
C27H30O15

>  <MolWeight> (221)
594.5181

>  <Cat> (221)
S3278

>  <Name> (221)
Kaempferol-3-O-neohesperidoside

>  <Target> (221)
Carbohydrate Metabol

>  <Form> (221)
free base

>  <CAS> (221)
32602-81-6

>  <URL> (221)
http://www.selleckchem.com/products/kaempferol-3-o-neohesperidoside.html

$$$$

csChFnd80/12202213352D

 39 42  0  0  0  0  0  0  0  0999 V2000
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   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> (222)
223

>  <Formula> (222)
C27H34O12

>  <MolWeight> (222)
550.55166

>  <Cat> (222)
S3284

>  <Name> (222)
Tracheloside

>  <Target> (222)
phosphatase

>  <Form> (222)
free base

>  <CAS> (222)
33464-71-0

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

$$$$

csChFnd80/12202213352D

 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
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   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> (223)
224

>  <Formula> (223)
C17H24O2

>  <MolWeight> (223)
260.37126

>  <Cat> (223)
S3292

>  <Name> (223)
Falcarindiol

>  <Target> (223)
NOS

>  <Form> (223)
free base

>  <CAS> (223)
225110-25-8

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

$$$$

csChFnd80/12202213352D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.3000    0.0000 C   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
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
  7 13  1  0  0  0  0
  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (224)
225

>  <Formula> (224)
C27H33ClN2O4

>  <MolWeight> (224)
485.01492

>  <Cat> (224)
S6760

>  <Name> (224)
LM22B-10

>  <Target> (224)
Trk receptor

>  <Form> (224)
free base

>  <CAS> (224)
342777-54-2

>  <URL> (224)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/12202213352D

 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
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  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
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4390    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2619    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4390    4.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8701    5.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  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  9  1  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (225)
226

>  <Formula> (225)
C19H15ClN4O

>  <MolWeight> (225)
350.8016

>  <Cat> (225)
S6888

>  <Name> (225)
SEL201

>  <Target> (225)
MNK

>  <Form> (225)
free base

>  <CAS> (225)
2095704-43-9

>  <URL> (225)
http://www.selleckchem.com/products/sel201.html

$$$$

csChFnd80/12202213352D

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3313    4.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1205    4.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5454    7.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7570    6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    7.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3946    7.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1822    6.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  2  0  0  0  0
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  1 11  1  0  0  0  0
 14 15  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (226)
227

>  <Formula> (226)
C33H36N2O3

>  <MolWeight> (226)
508.65054

>  <Cat> (226)
S6905

>  <Name> (226)
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>  <Target> (226)
Ras

>  <Form> (226)
free base

>  <CAS> (226)
521310-51-0

>  <URL> (226)
http://www.selleckchem.com/products/mcp110.html

$$$$

csChFnd80/12202213352D

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228

>  <Formula> (227)
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>  <MolWeight> (227)
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S8916

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>  <Target> (227)
Ras

>  <Form> (227)
free base

>  <CAS> (227)
2230836-55-0

>  <URL> (227)
http://www.selleckchem.com/products/bi-3406.html

$$$$

csChFnd80/12202213352D

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>  <Mol_ID> (228)
229

>  <Formula> (228)
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>  <MolWeight> (228)
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>  <Cat> (228)
S9621

>  <Name> (228)
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>  <Target> (228)
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>  <Form> (228)
free base

>  <CAS> (228)
1130115-44-4

>  <URL> (228)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

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M  END
>  <Mol_ID> (229)
230

>  <Formula> (229)
C97H144FN33O19S2

>  <MolWeight> (229)
2159.5193632

>  <Cat> (229)
S9665

>  <Name> (229)
Motixafortide (BL-8040)

>  <Target> (229)
CXCR

>  <Form> (229)
free base

>  <CAS> (229)
664334-36-5

>  <URL> (229)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/12202213352D

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M  END
>  <Mol_ID> (230)
231

>  <Formula> (230)
C22H26N2O4

>  <MolWeight> (230)
382.45284

>  <Cat> (230)
S9306

>  <Name> (230)
Corynoxeine

>  <Synonyms> (230)
N/A

>  <Target> (230)
ERK

>  <Form> (230)
Free Base

>  <CAS> (230)
630-94-4

>  <URL> (230)
https://www.selleckchem.com/products/corynoxeine.html

$$$$

csChFnd80/12202213352D

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M  END
>  <Mol_ID> (231)
232

>  <Formula> (231)
C13H14N2O3

>  <MolWeight> (231)
246.26186

>  <Cat> (231)
S0323

>  <Name> (231)
Antineoplaston A10

>  <Synonyms> (231)
N/A

>  <Target> (231)
Ras

>  <Form> (231)
Free Base

>  <CAS> (231)
91531-30-5

>  <URL> (231)
https://www.selleckchem.com/products/antineoplaston-a10.html

$$$$

csChFnd80/12202213352D

 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
    5.9895    9.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    2.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    3.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    3.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    7.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    3.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    1.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (232)
233

>  <Formula> (232)
C15H12Cl2N4O

>  <MolWeight> (232)
335.18798

>  <Cat> (232)
S0454

>  <Name> (232)
Adjudin

>  <Synonyms> (232)
AF-2364

>  <Target> (232)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (232)
Free Base

>  <CAS> (232)
252025-52-8

>  <URL> (232)
https://www.selleckchem.com/products/adjudin.html

$$$$

csChFnd80/12202213352D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7525    3.2763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5852    4.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    5.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    5.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.5883    7.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735    1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5404    1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9614    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2741    1.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8530    2.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4861    2.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6409    0.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2919    7.9139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 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> (233)
234

>  <Formula> (233)
C16H12ClNO

>  <MolWeight> (233)
269.72558

>  <Cat> (233)
S0780

>  <Name> (233)
Oncrasin-1

>  <Synonyms> (233)
N/A

>  <Target> (233)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (233)
Free Base

>  <CAS> (233)
75629-57-1

>  <URL> (233)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/12202213352D

 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
    6.2671    1.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.2797    3.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5336    2.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5201    1.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2695    0.0000    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> (234)
235

>  <Formula> (234)
C20H11N3O3

>  <MolWeight> (234)
341.31964

>  <Cat> (234)
S0781

>  <Name> (234)
IQ 3

>  <Synonyms> (234)
N/A

>  <Target> (234)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (234)
Free Base

>  <CAS> (234)
312538-03-7

>  <URL> (234)
https://www.selleckchem.com/products/iq-3.html

$$$$

csChFnd80/12202213352D

 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
    6.1324    4.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758    5.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525    2.3422    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7401    3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5048    1.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    5.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808    4.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4948    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1626    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
M  END
>  <Mol_ID> (235)
236

>  <Formula> (235)
C18H13F2NO3

>  <MolWeight> (235)
329.2975264

>  <Cat> (235)
S0881

>  <Name> (235)
Mitochonic acid 5

>  <Synonyms> (235)
MA-5

>  <Target> (235)
Mitophagy. MAPK. ERK. Yap

>  <Form> (235)
Free Base

>  <CAS> (235)
1354707-41-7

>  <URL> (235)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/12202213352D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (236)
237

>  <Formula> (236)
C13H8O3

>  <MolWeight> (236)
212.20082

>  <Cat> (236)
S1321

>  <Name> (236)
Urolithin B

>  <Synonyms> (236)
N/A

>  <Target> (236)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (236)
Free Base

>  <CAS> (236)
1139-83-9

>  <URL> (236)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/12202213352D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 F   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
    3.6331    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5927    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
    7.2704    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.7878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  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> (237)
238

>  <Formula> (237)
C21H19F2NO3

>  <MolWeight> (237)
371.3772664

>  <Cat> (237)
S6920

>  <Name> (237)
SEA0400

>  <Synonyms> (237)
N/A

>  <Target> (237)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (237)
Free Base

>  <CAS> (237)
223104-29-8

>  <URL> (237)
https://www.selleckchem.com/products/sea0400.html

$$$$

csChFnd80/12202213352D

 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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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  0  0  0  0  0  0  0  0  0  0
    5.8901    5.1368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    6.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    7.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4106    7.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017    9.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4893    9.8397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4489    8.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0842    9.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4510    6.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7825    7.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0736    8.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0332    9.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8193    6.3326    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  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
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 20  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (238)
239

>  <Formula> (238)
C22H14FN5

>  <MolWeight> (238)
367.3784632

>  <Cat> (238)
S6963

>  <Name> (238)
APTO-253

>  <Synonyms> (238)
LOR-253, LT-253

>  <Target> (238)
c-Myc. KLF. Apoptosis related

>  <Form> (238)
Free Base

>  <CAS> (238)
916151-99-0

>  <URL> (238)
https://www.selleckchem.com/products/apto-253.html

$$$$

csChFnd80/12202213352D

 44 44  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.6925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.7925    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.6925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.5925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.9925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7617    7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   13.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   13.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   13.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5190    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6191    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8315    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067    1.7725    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7192    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8315    3.1725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440    1.0725    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
  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
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 40 43  2  0  0  0  0
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M  END
>  <Mol_ID> (239)
240

>  <Formula> (239)
C29H36F3N3O8S

>  <MolWeight> (239)
643.6716496

>  <Cat> (239)
S9698

>  <Name> (239)
Ezatiostat

>  <Synonyms> (239)
TER199, TLK199, Telintra

>  <Target> (239)
Transferase. JNK. ERK. Apoptosis related

>  <Form> (239)
Free Base

>  <CAS> (239)
168682-53-9

>  <URL> (239)
https://www.selleckchem.com/products/ezatiostat.html

$$$$

csChFnd80/12202213352D

 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
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   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
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  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> (240)
241

>  <Formula> (240)
C19H32N4O11

>  <MolWeight> (240)
492.47758

>  <Cat> (240)
S9709

>  <Name> (240)
Muramyl dipeptide

>  <Synonyms> (240)
MDP

>  <Target> (240)
RUNX

>  <Form> (240)
Free Base

>  <CAS> (240)
53678-77-6

>  <URL> (240)
https://www.selleckchem.com/products/muramyl-dipeptide.html

$$$$
