azd6244.cdx
csChFnd80/10222016462D

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AZD6244 (Selumetinib)

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ARRY-142886 

>  <Target> (1)
MEK

>  <Form> (1)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/10222016462D

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C19H25BN4O4

>  <MolWeight> (2)
384.2372

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S1013

>  <Name> (2)
Bortezomib (Velcade)

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MG-341, PS-341

>  <Target> (2)
Proteasome

>  <Form> (2)
Free Base

>  <CAS> (2)
179324-69-7

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

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/10222016462D

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>  <Mol_ID> (3)
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Bosutinib (SKI-606)

>  <Synonyms> (3)
N/A 

>  <Target> (3)
Src

>  <Form> (3)
Free Base

>  <CAS> (3)
380843-75-4

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

$$$$
CI1040.cdx
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>  <Mol_ID> (4)
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>  <Formula> (4)
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CI-1040 (PD184352)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
MEK 

>  <Form> (4)
Free Base

>  <CAS> (4)
212631-79-3

>  <URL> (4)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

$$$$
untitled.cdx
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VEGFR, PDGFR, Raf

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475207-59-1

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301836-41-9

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152121-47-6

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Raf

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905281-76-7

>  <URL> (10)
http://www.selleckchem.com/products/GDC-0879.html

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MEK

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Ethanolate

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1173097-76-1

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918505-84-7

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Regorafenib (BAY 73-4506)

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BAY 73-4506

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c-Kit, Raf, VEGFR

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Free Base

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755037-03-7

>  <URL> (14)
http://www.selleckchem.com/products/BAY-73-4506.html

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>  <Mol_ID> (15)
159

>  <Formula> (15)
C23H18ClF2N3O3S

>  <MolWeight> (15)
489.9221264

>  <Cat> (15)
S1267

>  <Name> (15)
Vemurafenib (PLX4032, RG7204)

>  <Synonyms> (15)
RO5185426

>  <Target> (15)
Raf 

>  <Form> (15)
Free Base

>  <CAS> (15)
918504-65-1

>  <URL> (15)
http://www.selleckchem.com/products/PLX-4032.html

$$$$
Ginkgolide B.cdx
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Ginkgolide B

>  <Synonyms> (16)
BN 52021 

>  <Target> (16)
PAFR

>  <Form> (16)
Free Base

>  <CAS> (16)
15291-77-7

>  <URL> (16)
http://www.selleckchem.com/products/Ginkgolide-B.html

$$$$
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249

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C24H23ClFN5O2

>  <MolWeight> (17)
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S1392

>  <Name> (17)
Pelitinib (EKB-569)

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WAY-EKB 569

>  <Target> (17)
EGFR

>  <Form> (17)
Free Base

>  <CAS> (17)
257933-82-7

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

$$$$
resveratrol.cdx
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N/A

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p38 MAPK

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Free Base

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285983-48-4

>  <URL> (27)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Methylthiouracil.cdx
csChFnd80/10222016462D

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Methylthiouracil

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N/A

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Others

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Free Base

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20547

>  <URL> (28)
http://www.selleckchem.com/products/methylthiouracil.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/10222016462D

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Metformin hydrochloride (Glucophage)

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Glucophage, Riomet, Diabex

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Hydrochloride

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1115-70-4

>  <URL> (29)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
AZ628.cdx
csChFnd80/10222016462D

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549

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C27H25N5O2

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451.5197

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AZ628

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N/A

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Raf 

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Free Base

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878739-06-1

>  <URL> (30)
http://www.selleckchem.com/products/az628.html

$$$$
GSK2118436.cdx
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Dabrafenib (GSK2118436)

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N/A 

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Raf

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Free Base

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1195765-45-7

>  <URL> (31)
http://www.selleckchem.com/products/dabrafenib-gsk2118436a.html

$$$$
AZD8330.cdx
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642

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C16H17FIN3O4

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N/A 

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MEK

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Free Base

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869357-68-6

>  <URL> (32)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
raf265.cdx
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>  <Mol_ID> (33)
657

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C24H16F6N6O

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RAF265 (CHIR-265)

>  <Synonyms> (33)
N/A 

>  <Target> (33)
Raf, VEGFR

>  <Form> (33)
Free Base

>  <CAS> (33)
927880-90-8

>  <URL> (33)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

$$$$
raf265.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (34)
677

>  <Formula> (34)
C23H14F6N6O

>  <MolWeight> (34)
504.3872792

>  <Cat> (34)
S2200

>  <Name> (34)
Raf265 derivative

>  <Synonyms> (34)
N/A

>  <Target> (34)
VEGFR, Raf

>  <Form> (34)
Free Base

>  <CAS> (34)
N/A

>  <URL> (34)
http://www.selleckchem.com/products/Raf265-derivative.html

$$$$
NVP-BHG712.cdx
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679

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C26H20F3N7O

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NVP-BHG712

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N/A

>  <Target> (35)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (35)
Free Base

>  <CAS> (35)
940310-85-0

>  <URL> (35)
http://www.selleckchem.com/products/NVP-BHG712.html

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>  <Mol_ID> (36)
689

>  <Formula> (36)
C27H27N5O2

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453.53558

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S2220

>  <Name> (36)
SB590885

>  <Synonyms> (36)
GSK2118436 

>  <Target> (36)
Raf

>  <Form> (36)
Free Base

>  <CAS> (36)
405554-55-4 

>  <URL> (36)
http://www.selleckchem.com/products/SB590885.html

$$$$
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690

>  <Formula> (37)
C22H18O11

>  <MolWeight> (37)
458.37172

>  <Cat> (37)
S2250

>  <Name> (37)
(-)-Epigallocatechin gallate

>  <Synonyms> (37)
EGCG

>  <Target> (37)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (37)
Free Base

>  <CAS> (37)
989-51-5

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

$$$$
AESCULIN.cdx
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>  <Mol_ID> (38)
694

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C15H16O9

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S2258

>  <Name> (38)
Aesculin (Esculin)

>  <Synonyms> (38)
Esculin

>  <Target> (38)
Others

>  <Form> (38)
Free Base

>  <CAS> (38)
531-75-9

>  <URL> (38)
http://www.selleckchem.com/products/Aesculin(Esculin).html

$$$$
Apigenin.cdx
csChFnd80/10222016462D

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C15H10O5

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Apigenin

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N/A

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P450

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Free Base

>  <CAS> (39)
520-36-5

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

$$$$
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    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
    9.6953    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.6249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.3249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    8.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    8.7249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953   10.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (40)
700

>  <Formula> (40)
C30H48O5

>  <MolWeight> (40)
488.69912

>  <Cat> (40)
S2266

>  <Name> (40)
Asiatic acid

>  <Synonyms> (40)
N/A

>  <Target> (40)
p38 MAPK

>  <Form> (40)
Free Base

>  <CAS> (40)
464-92-6

>  <URL> (40)
http://www.selleckchem.com/products/Asiatic-acid.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10222016462D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (41)
708

>  <Formula> (41)
C20H18ClNO4

>  <MolWeight> (41)
371.81422

>  <Cat> (41)
S2271

>  <Name> (41)
Berberine chloride

>  <Synonyms> (41)
N/A

>  <Target> (41)
Antifection

>  <Form> (41)
chloride

>  <CAS> (41)
633-65-8

>  <URL> (41)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Glycyrrhizic acid.cdx
csChFnd80/10222016462D

 61 67  0  0  0  0  0  0  0  0999 V2000
    9.6869    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7490    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7490    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    9.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9615   10.4879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3863   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3863   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9615   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    9.0879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3763   12.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1639   14.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5993    4.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    5.5903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1840   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7490    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  2 23  1  1  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 18 26  1  1  0  0  0
 17 27  1  1  0  0  0
 21 28  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 14 31  2  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
 23 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 21 40  1  6  0  0  0
 11 41  1  6  0  0  0
 10 42  1  6  0  0  0
  4 43  1  6  0  0  0
 37 44  1  6  0  0  0
 39 45  1  6  0  0  0
 45 46  1  0  0  0  0
 46 47  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 46  1  0  0  0  0
 36 52  1  1  0  0  0
 38 53  1  1  0  0  0
 50 54  1  1  0  0  0
 48 55  1  1  0  0  0
 49 56  1  6  0  0  0
 51 57  1  6  0  0  0
 55 58  1  0  0  0  0
 55 59  2  0  0  0  0
 52 60  1  0  0  0  0
 52 61  2  0  0  0  0
M  END
>  <Mol_ID> (42)
726

>  <Formula> (42)
C42H62O16

>  <MolWeight> (42)
822.93208

>  <Cat> (42)
S2302

>  <Name> (42)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Synonyms> (42)
N/A

>  <Target> (42)
Others

>  <Form> (42)
Free Base

>  <CAS> (42)
1405-86-3

>  <URL> (42)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

$$$$
Hesperetin.cdx
csChFnd80/10222016462D

 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> (43)
731

>  <Formula> (43)
C16H14O6

>  <MolWeight> (43)
302.27876

>  <Cat> (43)
S2308

>  <Name> (43)
Hesperetin

>  <Synonyms> (43)
N/A

>  <Target> (43)
Histamine Receptor

>  <Form> (43)
Free Base

>  <CAS> (43)
520-33-2

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

$$$$
Honokiol.cdx
csChFnd80/10222016462D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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> (44)
733

>  <Formula> (44)
C18H18O2

>  <MolWeight> (44)
266.33432

>  <Cat> (44)
S2310

>  <Name> (44)
Honokiol

>  <Synonyms> (44)
N/A

>  <Target> (44)
Akt, MEK

>  <Form> (44)
Free Base

>  <CAS> (44)
35354-74-6

>  <URL> (44)
http://www.selleckchem.com/products/Honokiol.html

$$$$
Myricetin.cdx
csChFnd80/10222016462D

 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
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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
  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> (45)
745

>  <Formula> (45)
C15H10O8

>  <MolWeight> (45)
318.2351

>  <Cat> (45)
S2326

>  <Name> (45)
Myricetin (Cannabiscetin)

>  <Synonyms> (45)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (45)
NULL

>  <Form> (45)
Free Base

>  <CAS> (45)
529-44-2

>  <URL> (45)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

$$$$
Myricitrin.cdx
csChFnd80/10222016462D

 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
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    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (46)
746

>  <Formula> (46)
C21H20O12

>  <MolWeight> (46)
464.3763

>  <Cat> (46)
S2327

>  <Name> (46)
Myricitrin (Myricitrine)

>  <Synonyms> (46)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (46)
PKC

>  <Form> (46)
Free Base

>  <CAS> (46)
17912-87-7

>  <URL> (46)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/10222016462D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (47)
776

>  <Formula> (47)
C18H29ClN2O

>  <MolWeight> (47)
324.88866

>  <Cat> (47)
S2454

>  <Name> (47)
Bupivacaine hydrochloride (Marcain)

>  <Synonyms> (47)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (47)
Sodium Channel

>  <Form> (47)
Hydrochloride

>  <CAS> (47)
18010-40-7

>  <URL> (47)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

$$$$
TAK733.cdx
csChFnd80/10222016462D

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    4.1951    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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Raf

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Free Base

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208260-29-1

>  <URL> (52)
http://www.selleckchem.com/products/zm-336372.html

$$$$
PH797804.cdx
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>  <Mol_ID> (53)
945

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C22H19BrF2N2O3

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S2726

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PH-797804

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N/A

>  <Target> (53)
p38 MAPK

>  <Form> (53)
Free Base

>  <CAS> (53)
586379-66-0

>  <URL> (53)
http://www.selleckchem.com/products/ph-797804.html

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/10222016462D

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1030

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C14H22N2O

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Lidocaine (Alphacaine)

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Alphacaine, Xylocaine, lignocaine

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Histamine Receptor

>  <Form> (54)
Free Base

>  <CAS> (54)
137-58-6

>  <URL> (54)
http://www.selleckchem.com/products/Lidocaine.html

$$$$
Sodium salicylate.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (55)
1036

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C7H6NaO3

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Sodium salicylate

>  <Synonyms> (55)
N/A 

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NF-¦ÊB

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sodium salt

>  <CAS> (55)
54-21-7

>  <URL> (55)
http://www.selleckchem.com/products/sodium-salicylate.html

$$$$
WHI-P154.cdx
csChFnd80/10222016462D

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1090

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C16H14BrN3O3

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WHI-P154

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N/A

>  <Target> (56)
JAK, EGFR

>  <Form> (56)
Free Base

>  <CAS> (56)
211555-04-3

>  <URL> (56)
http://www.selleckchem.com/products/whi-p154.html

$$$$
BI-D1870.cdx
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M  END
>  <Mol_ID> (62)
1462

>  <Formula> (62)
C19H9Cl2F2N3OS

>  <MolWeight> (62)
436.2620664

>  <Cat> (62)
S1458

>  <Name> (62)
VX-745

>  <Synonyms> (62)
N/A

>  <Target> (62)
p38 MAPK 

>  <Form> (62)
Free Base

>  <CAS> (62)
209410-46-8

>  <URL> (62)
http://www.selleckchem.com/products/VX-745.html

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/10222016462D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  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
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 10 20  2  0  0  0  0
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 30 15  1  0  0  0  0
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M  END
>  <Mol_ID> (63)
1504

>  <Formula> (63)
C19H20F3IN2O5S

>  <MolWeight> (63)
572.3371796

>  <Cat> (63)
S1089

>  <Name> (63)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (63)
BAY 869766

>  <Target> (63)
MEK

>  <Form> (63)
Free Base

>  <CAS> (63)
923032-37-5

>  <URL> (63)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/10222016462D

 18 17  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> (64)
1689

>  <Formula> (64)
C14H23ClN2O

>  <MolWeight> (64)
270.79822

>  <Cat> (64)
S4667

>  <Name> (64)
Lidocaine hydrochloride

>  <Synonyms> (64)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (64)
Others

>  <Form> (64)
hydrochloride

>  <CAS> (64)
73-78-9

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

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/10222016462D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (65)
1875

>  <Formula> (65)
C26H45NO6S

>  <MolWeight> (65)
499.7036

>  <Cat> (65)
S3654

>  <Name> (65)
Tauroursodeoxycholic Acid

>  <Synonyms> (65)
N/A

>  <Target> (65)
Others

>  <Form> (65)
free base

>  <CAS> (65)
14605-22-2

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

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/10222016462D

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M  END
>  <Mol_ID> (66)
1878

>  <Formula> (66)
C16H16O4

>  <MolWeight> (66)
272.29584

>  <Cat> (66)
S3940

>  <Name> (66)
3'-Hydroxypterostilbene

>  <Synonyms> (66)
3'-HPT

>  <Target> (66)
Others

>  <Form> (66)
free base

>  <CAS> (66)
475231-21-1

>  <URL> (66)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/10222016462D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (67)
1896

>  <Formula> (67)
C21H20O11

>  <MolWeight> (67)
448.3769

>  <Cat> (67)
S3824

>  <Name> (67)
Quercitrin

>  <Synonyms> (67)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (67)
Others

>  <Form> (67)
free base

>  <CAS> (67)
522-12-3

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

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10222016462D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (68)
1907

>  <Formula> (68)
C27H30O10

>  <MolWeight> (68)
514.5211

>  <Cat> (68)
S3840

>  <Name> (68)
Baohuoside I

>  <Synonyms> (68)
Icariside II

>  <Target> (68)
ROS

>  <CAS> (68)
113558-15-9

>  <URL> (68)
http://www.selleckchem.com/products/baohuoside-i.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/10222016462D

 72 78  0  0  0  0  0  0  0  0999 V2000
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  4  8  1  1  0  0  0
  5  9  1  6  0  0  0
  6 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 17 18  1  6  0  0  0
 16 20  1  1  0  0  0
 15 21  1  6  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
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 31 35  1  0  0  0  0
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 37 38  1  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 27 39  1  0  0  0  0
 23 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
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 44 45  1  0  0  0  0
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 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 47 52  1  0  0  0  0
 53 54  1  0  0  0  0
 52 53  1  1  0  0  0
 51 55  1  6  0  0  0
 50 56  1  1  0  0  0
 49 57  1  6  0  0  0
 48 46  1  1  0  0  0
 40 46  1  0  0  0  0
 44 58  1  0  0  0  0
 34 40  1  0  0  0  0
 39 59  1  1  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 36 62  1  1  0  0  0
 25 63  1  1  0  0  0
 28 22  1  6  0  0  0
 13 22  1  0  0  0  0
 14 11  1  1  0  0  0
  2 11  1  0  0  0  0
 35 64  1  1  0  0  0
 40 65  1  1  0  0  0
 31 66  1  6  0  0  0
 38 67  1  6  0  0  0
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 30 69  1  1  0  0  0
 34 70  1  6  0  0  0
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  2 72  1  1  0  0  0
M  END
>  <Mol_ID> (69)
1952

>  <Formula> (69)
C48H82O18

>  <MolWeight> (69)
947.15388

>  <Cat> (69)
S3811

>  <Name> (69)
Ginsenoside Re

>  <Synonyms> (69)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (69)
Others

>  <Form> (69)
free base

>  <CAS> (69)
52286-59-6

>  <URL> (69)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3892 Isopsoralen.cdx
csChFnd80/10222016462D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.6531    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776    1.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6531    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    1.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0986    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776    4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0986    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884    1.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (70)
1960

>  <Formula> (70)
C11H6O3

>  <MolWeight> (70)
186.16354

>  <Cat> (70)
S3892

>  <Name> (70)
Isopsoralen

>  <Synonyms> (70)
angelicin

>  <Target> (70)
Immunology & Inflammation related

>  <Form> (70)
free base

>  <CAS> (70)
523-50-2

>  <URL> (70)
http://www.selleckchem.com/products/isopsoralen.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/10222016462D

 58 65  0  0  0  0  0  0  0  0999 V2000
    9.6984    9.2105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4740    8.5036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9007    8.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4602    9.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6984   10.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    7.0593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2549    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090   11.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    6.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2584    6.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0158    8.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480   10.6287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.2132    4.9492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.9079   12.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7459   13.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2364   10.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2474    2.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4215    4.2517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161    6.3429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6298    8.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9085   13.8162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5399   14.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4317    2.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2474    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6339    4.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0378    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161    4.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    9.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0266   14.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6441    2.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0507    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4319    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1841   15.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1448   15.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8692   13.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9732    7.6164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    5.6593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260   12.3908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2132    6.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  4  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 55  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 56  1  6  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  6  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  1  0  0  0
 15 23  1  0  0  0  0
 24 17  1  1  0  0  0
 18 25  1  1  0  0  0
 21 26  1  0  0  0  0
 21 23  1  0  0  0  0
 21 57  1  6  0  0  0
 23 27  1  1  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 30 25  1  1  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  1  0  0  0
 35 42  1  1  0  0  0
 35 40  1  0  0  0  0
 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
 37 45  1  0  0  0  0
 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
 45 49  1  0  0  0  0
 46 51  1  0  0  0  0
 46 52  1  0  0  0  0
 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (71)
1980

>  <Formula> (71)
C41H68O14

>  <MolWeight> (71)
784.97022

>  <Cat> (71)
S3901

>  <Name> (71)
Astragaloside IV

>  <Synonyms> (71)
AST-IV, AS-IV

>  <Target> (71)
Others

>  <Form> (71)
free base

>  <CAS> (71)
84687-43-4

>  <URL> (71)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S4990 TBHQ.cdx
csChFnd80/10222016462D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    3.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (72)
2181

>  <Formula> (72)
C10H14O2

>  <MolWeight> (72)
166.21696

>  <Cat> (72)
S4990

>  <Name> (72)
TBHQ

>  <Synonyms> (72)
Tert-butylhydroquinone

>  <Target> (72)
Nrf2

>  <Form> (72)
free base

>  <CAS> (72)
1948-33-0

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/10222016462D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (73)
2213

>  <Formula> (73)
C18H16O7

>  <MolWeight> (73)
344.31544

>  <Cat> (73)
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>  <Name> (73)
Usnic acid

>  <Synonyms> (73)
Usniacin

>  <Target> (73)
Others

>  <Form> (73)
free base

>  <CAS> (73)
125-46-2

>  <URL> (73)
http://selleckchem.com/products/usnic-acid.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/10222016462D

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M  END
>  <Mol_ID> (74)
2231

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C10H13N5O

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219.24312

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Trans-Zeatin

>  <Synonyms> (74)
(E)-Zeatin

>  <Target> (74)
Others

>  <CAS> (74)
1637-39-4

>  <URL> (74)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S4959 Skatole.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (75)
2246

>  <Formula> (75)
C9H9N

>  <MolWeight> (75)
131.17446

>  <Cat> (75)
S4959

>  <Name> (75)
Skatole

>  <Synonyms> (75)
3-methylindole, Scatole

>  <Target> (75)
Anti-infection

>  <CAS> (75)
83-34-1

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/10222016462D

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M  END
>  <Mol_ID> (76)
2271

>  <Formula> (76)
C47H80O18

>  <MolWeight> (76)
933.1273

>  <Cat> (76)
S3785

>  <Name> (76)
Notoginsenoside R1

>  <Synonyms> (76)
Sanchinoside R1

>  <Target> (76)
Others

>  <Form> (76)
free base

>  <CAS> (76)
80418-24-2

>  <URL> (76)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/10222016462D

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2280

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C15H8Br2INO2

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GW5074

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N/A

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Raf

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free base

>  <CAS> (77)
220904-83-6

>  <URL> (77)
http://selleckchem.com/products/gw5074.html

$$$$

csChFnd80/10222016462D

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862507-23-1

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1207293-36-4

>  <URL> (81)
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csChFnd80/10222016462D

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1168091-68-6

>  <URL> (82)
http://www.selleckchem.com/products/gdc-0623.html

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csChFnd80/10222016462D

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>  <Cat> (83)
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>  <Name> (83)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (83)
N/A

>  <Target> (83)
Antifection

>  <Form> (83)
sodium salt

>  <CAS> (83)
35807-85-3

>  <URL> (83)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
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csChFnd80/10222016462D

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p38 MAPK

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193551-21-2

>  <URL> (84)
http://www.selleckchem.com/products/sb239063.html

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TIC10

>  <Synonyms> (85)
N/A

>  <Target> (85)
Akt

>  <Form> (85)
Free Base

>  <CAS> (85)
1616632-77-9

>  <URL> (85)
http://www.selleck.cn/products/tic-10.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (86)
2596

>  <Formula> (86)
C18H24O

>  <MolWeight> (86)
256.38256

>  <Cat> (86)
S3813

>  <Name> (86)
Bakuchiol

>  <Synonyms> (86)
(S)-(+)-Bakuchiol

>  <Target> (86)
Immunology & Inflammation related

>  <Form> (86)
free base

>  <CAS> (86)
10309-37-2

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

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/10222016462D

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>  <Mol_ID> (87)
2618

>  <Formula> (87)
C17H15BrF2N4O3

>  <MolWeight> (87)
441.2268064

>  <Cat> (87)
S7007

>  <Name> (87)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (87)
N/A

>  <Target> (87)
MEK

>  <Form> (87)
Free Base

>  <CAS> (87)
606143-89-9

>  <URL> (87)
http://www.selleckchem.com/products/mek162.html

$$$$
TIC10.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (88)
2623

>  <Formula> (88)
C24H26N4O

>  <MolWeight> (88)
386.48944

>  <Cat> (88)
S7127

>  <Name> (88)
TIC10 analogue

>  <Synonyms> (88)
TRAIL-inducing Compound 10

>  <Target> (88)
Akt

>  <Form> (88)
Free Base

>  <CAS> (88)
41276-02-2

>  <URL> (88)
http://www.selleckchem.com/products/tic10.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (89)
2640

>  <Formula> (89)
C26H27N5O5S2

>  <MolWeight> (89)
553.65308

>  <Cat> (89)
S7207

>  <Name> (89)
Ro 31-8220 Mesylate

>  <Synonyms> (89)
Bisindolylmaleimide IX Mesylate

>  <Target> (89)
PKC

>  <Form> (89)
Mesylate

>  <CAS> (89)
138489-18-6

>  <URL> (89)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Skepinone-L.cdx
csChFnd80/10222016462D

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1228591-30-7

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http://www.selleckchem.com/products/tak-632.html

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284461-73-0

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>  <Mol_ID> (94)
2803

>  <Formula> (94)
C28H33N7O2

>  <MolWeight> (94)
499.60732

>  <Cat> (94)
S7297

>  <Name> (94)
AZD9291

>  <Synonyms> (94)
N/A

>  <Target> (94)
EGFR

>  <Form> (94)
Free Base

>  <CAS> (94)
1421373-65-0

>  <URL> (94)
http://www.selleckchem.com/products/azd9291.html

$$$$
ÐÂ½¨ CS ChemDraw Drawing.cdx
csChFnd80/10222016462D

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2816

>  <Formula> (95)
C22H26FN3O2

>  <MolWeight> (95)
383.4591432

>  <Cat> (95)
S7215

>  <Name> (95)
Losmapimod

>  <Synonyms> (95)
GW856553X, GW856553, GSK-AHAB

>  <Target> (95)
p38 MAPK

>  <Form> (95)
Free Base

>  <CAS> (95)
585543-15-3

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

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>  <Mol_ID> (96)
2835

>  <Formula> (96)
C26H30N6O3

>  <MolWeight> (96)
474.5548

>  <Cat> (96)
S7525

>  <Name> (96)
XMD8-92

>  <Synonyms> (96)
N/A

>  <Target> (96)
ERK

>  <Form> (96)
Free Base

>  <CAS> (96)
1234480-50-2

>  <URL> (96)
http://www.selleckchem.com/products/xmd8-92.html

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>  <Mol_ID> (97)
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>  <Formula> (97)
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>  <MolWeight> (97)
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>  <Cat> (97)
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>  <Synonyms> (97)
N/A

>  <Target> (97)
ERK

>  <Form> (97)
Free Base

>  <CAS> (97)
865362-74-9

>  <URL> (97)
http://www.selleckchem.com/products/fr180204.html

$$$$
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M  END
>  <Mol_ID> (98)
2907

>  <Formula> (98)
C27H27N5

>  <MolWeight> (98)
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>  <Cat> (98)
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>  <Name> (98)
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>  <Synonyms> (98)
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>  <Target> (98)
Others

>  <Form> (98)
Free Base

>  <CAS> (98)
1229582-33-5

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

$$$$
JNK Inhibitor IX.cdx
csChFnd80/10222016462D

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M  END
>  <Mol_ID> (99)
2925

>  <Formula> (99)
C20H16N2OS

>  <MolWeight> (99)
332.41884

>  <Cat> (99)
S7508

>  <Name> (99)
JNK inhibitor IX

>  <Synonyms> (99)
TCS JNK 5a

>  <Target> (99)
JNK

>  <Form> (99)
Free Base

>  <CAS> (99)
312917-14-9

>  <URL> (99)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

$$$$
DTP3.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (100)
2938

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C26H35N7O5

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525.6

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DTP3

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N/A

>  <Target> (100)
JNK

>  <Form> (100)
Free Base

>  <CAS> (100)
no

>  <URL> (100)
http://www.selleckchem.com/products/dtp3.html

$$$$
ML141.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (101)
2947

>  <Formula> (101)
C22H21N3O3S

>  <MolWeight> (101)
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>  <Cat> (101)
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>  <Name> (101)
ML141

>  <Synonyms> (101)
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>  <Target> (101)
Rho

>  <Form> (101)
Free Base

>  <CAS> (101)
71203-35-5

>  <URL> (101)
http://www.selleckchem.com/products/ml141.html

$$$$
Piperlongumine.cdx
csChFnd80/10222016462D

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ROS,CRM

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20069-09-4

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

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AT13148.cdx
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Akt

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1056901-62-2

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http://www.selleckchem.com/products/at13148.html

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C28H27F4N7O3S

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LY2584702 tosylate

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>  <Target> (104)
S6 Kinase

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Free Base

>  <CAS> (104)
1082949-68-5

>  <URL> (104)
http://www.selleckchem.com/products/ly2584702-tosylate.html

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JNK

>  <Form> (105)
Free Base

>  <CAS> (105)
22862-76-6

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

$$$$
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3038

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C36H46N8O3

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

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N/A

>  <Target> (106)
ERK

>  <Form> (106)
Free Base

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1435488-37-1

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

$$$$
ARRY-614.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (107)
3048

>  <Formula> (107)
C31H33FN6O3

>  <MolWeight> (107)
556.6305232

>  <Cat> (107)
S7799

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

>  <Synonyms> (107)
N/A

>  <Target> (107)
p38 MAPK

>  <Form> (107)
Free Base

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

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

$$$$
LY3009120.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (108)
3050

>  <Formula> (108)
C23H29FN6O

>  <MolWeight> (108)
424.5143632

>  <Cat> (108)
S7842

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LY3009120

>  <Synonyms> (108)
N/A

>  <Target> (108)
Raf

>  <Form> (108)
Free Base

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

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

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (109)
3055

>  <Formula> (109)
C21H21F3IN3O2

>  <MolWeight> (109)
531.3100196

>  <Cat> (109)
S8041

>  <Name> (109)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (109)
XL518

>  <Target> (109)
MEK

>  <Form> (109)
Free Base

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

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

$$$$
BVD-523.cdx
csChFnd80/10222016462D

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181223-80-3

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896720-20-0

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1627709-94-7

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S6 Kinase

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Free Base

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1627710-50-2

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p38 MAPK

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623152-17-0

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http://www.selleckchem.com/products/bms-582949.html

$$$$
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Pluripotin (SC1)

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N/A

>  <Target> (120)
ERK

>  <Form> (120)
Free Base

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839707-37-8

>  <URL> (120)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$
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1393465-84-3

>  <URL> (121)
http://www.selleckchem.com/products/plx7904.html

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3188

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C13H9N5O5S2

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BI-78D3

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N/A

>  <Target> (122)
JNK

>  <Form> (122)
Free Base

>  <CAS> (122)
883065-90-5

>  <URL> (122)
http://www.selleckchem.com/products/bi-78d3.html

$$$$
NQDI-1.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (123)
3213

>  <Formula> (123)
C19H13NO4

>  <MolWeight> (123)
319.31082

>  <Cat> (123)
S8289

>  <Name> (123)
NQDI-1

>  <Synonyms> (123)
N/A

>  <Target> (123)
Caspase

>  <Form> (123)
Free Base

>  <CAS> (123)
175026-96-7

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

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/10222016462D

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>  <Mol_ID> (124)
3247

>  <Formula> (124)
C24H24FN7O

>  <MolWeight> (124)
445.4920632

>  <Cat> (124)
S8292

>  <Name> (124)
Selonsertib (GS-4997)

>  <Synonyms> (124)
N/A

>  <Target> (124)
Caspase

>  <Form> (124)
Free Base

>  <CAS> (124)
1448428-04-3

>  <URL> (124)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
SIS3.cdx
csChFnd80/10222016462D

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M  END
>  <Mol_ID> (125)
3261

>  <Formula> (125)
C28H28ClN3O3

>  <MolWeight> (125)
489.99322

>  <Cat> (125)
S7959

>  <Name> (125)
SIS3 HCl

>  <Synonyms> (125)
N/A

>  <Target> (125)
TGF-beta/Smad

>  <Form> (125)
hydrochloride

>  <CAS> (125)
521984-48-5

>  <URL> (125)
http://www.selleckchem.com/products/sis3.html

$$$$
Necrosulfonamide.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (126)
3274

>  <Formula> (126)
C18H15N5O6S2

>  <MolWeight> (126)
461.4716

>  <Cat> (126)
S8251

>  <Name> (126)
Necrosulfonamide

>  <Synonyms> (126)
N/A

>  <Target> (126)
Others

>  <Form> (126)
Free Base

>  <CAS> (126)
1360614-48-7

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

$$$$
APS-2-79.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (127)
3281

>  <Formula> (127)
C23H22ClN3O3

>  <MolWeight> (127)
423.89208

>  <Cat> (127)
S8355

>  <Name> (127)
APS-2-79 HCl

>  <Synonyms> (127)
N/A

>  <Target> (127)
MEK

>  <Form> (127)
hydrochloride

>  <CAS> (127)
2002381-31-7

>  <URL> (127)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/10222016462D

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>  <Mol_ID> (128)
3295

>  <Formula> (128)
C22H15F3N4O2

>  <MolWeight> (128)
424.3753096

>  <Cat> (128)
S8189

>  <Name> (128)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (128)
N/A

>  <Target> (128)
VEGFR

>  <Form> (128)
Free Base

>  <CAS> (128)
861875-60-7

>  <URL> (128)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (129)
3299

>  <Formula> (129)
C19H20F2N4O4

>  <MolWeight> (129)
406.3833064

>  <Cat> (129)
S8125

>  <Name> (129)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (129)
N/A

>  <Target> (129)
p38 MAPK

>  <Form> (129)
Free Base

>  <CAS> (129)
449811-01-2

>  <URL> (129)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OTS514.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (130)
3367

>  <Formula> (130)
C21H21ClN2O2S

>  <MolWeight> (130)
400.92164

>  <Cat> (130)
S7652

>  <Name> (130)
OTS514 hydrochloride

>  <Synonyms> (130)
N/A

>  <Target> (130)
TOPK

>  <Form> (130)
hydrochloride

>  <CAS> (130)
1338540-63-8(free base)

>  <URL> (130)
http://www.selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/10222016462D

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MNK

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Free Base

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1849590-01-7

>  <URL> (131)
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> (132)
Free Base

>  <CAS> (132)
1163719-56-9

>  <URL> (132)
http://www.selleckchem.com/products/cct196969.html

$$$$
OTS964.cdx
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OTS964

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N/A

>  <Target> (133)
Others

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dihydrochloride

>  <CAS> (133)
1338545-07-5(HCl salt)

>  <URL> (133)
http://www.selleckchem.com/products/ots964.html

$$$$
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>  <Name> (134)
Tanzisertib(CC-930)

>  <Synonyms> (134)
JNK-930|JNKI-1

>  <Target> (134)
JNK

>  <Form> (134)
hydrochloride

>  <CAS> (134)
899805-25-5 (free base)

>  <URL> (134)
http://www.selleckchem.com/products/cc-930.html

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Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

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free base

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1384071-99-1

>  <URL> (135)
http://www.selleckchem.com/products/ad80.html

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N/A

>  <Target> (136)
ERK1,ERK2

>  <Form> (136)
free base

>  <CAS> (136)
1951483-29-6

>  <URL> (136)
http://www.selleckchem.com/products/ly3214996.html

$$$$
Takinib.cdx
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EDHS-206

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TAK1,IRAK4,IRAK1

>  <Form> (137)
free base

>  <CAS> (137)
1111556-37-6

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

$$$$
S5077 Regorafenib Monohydrate.cdx
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Regorafenib Monohydrate

>  <Synonyms> (138)
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VEGFR,PDGFR,c-Kit,c-RET,Raf

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monohydrate

>  <CAS> (138)
1019206-88-2

>  <URL> (138)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
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M  END
>  <Mol_ID> (139)
3700

>  <Formula> (139)
C28H29F3N4O4

>  <MolWeight> (139)
542.5494696

>  <Cat> (139)
S8690

>  <Name> (139)
RAF709

>  <Synonyms> (139)
N/A

>  <Target> (139)
Raf

>  <Form> (139)
free base

>  <CAS> (139)
1628838-42-5

>  <URL> (139)
http://selleckchem.com/products/raf709.html

$$$$
Cu-CPT22.cdx
csChFnd80/10222016462D

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M  END
>  <Mol_ID> (140)
3715

>  <Formula> (140)
C19H22O7

>  <MolWeight> (140)
362.37378

>  <Cat> (140)
S8677

>  <Name> (140)
Cu-CPT22

>  <Synonyms> (140)
N/A

>  <Target> (140)
TLR

>  <Form> (140)
free base

>  <CAS> (140)
1416324-85-0

>  <URL> (140)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/10222016462D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (141)
3831

>  <Formula> (141)
C21H28O2

>  <MolWeight> (141)
312.44582

>  <Cat> (141)
S3792

>  <Name> (141)
Guggulsterone E&Z

>  <Synonyms> (141)
N/A

>  <Target> (141)
FXR

>  <Form> (141)
free base

>  <CAS> (141)
95975-55-6

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

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/10222016462D

 40 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
3845

>  <Formula> (142)
C24H24F3N5O5S3

>  <MolWeight> (142)
615.6680696

>  <Cat> (142)
S5069

>  <Name> (142)
Dabrafenib Mesylate

>  <Synonyms> (142)
GSK2118436 Mesylate

>  <Target> (142)
Raf

>  <Form> (142)
mesylate

>  <CAS> (142)
1195768-06-9

>  <URL> (142)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/10222016462D

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M  END
>  <Mol_ID> (143)
3918

>  <Formula> (143)
C11H12O4

>  <MolWeight> (143)
208.21058

>  <Cat> (143)
S5451

>  <Name> (143)
Ferulic acid methyl ester

>  <Synonyms> (143)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (143)
Immunology & Inflammation related

>  <Form> (143)
free base

>  <CAS> (143)
149567

>  <URL> (143)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/10222016462D

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M  END
>  <Mol_ID> (144)
3934

>  <Formula> (144)
C27H30O15

>  <MolWeight> (144)
594.5181

>  <Cat> (144)
S5468

>  <Name> (144)
Kaempferol-3-O-glucorhamnoside

>  <Synonyms> (144)
Kaempferol 3-neohesperidoside

>  <Target> (144)
Others

>  <Form> (144)
salt

>  <CAS> (144)
40437-72-7

>  <URL> (144)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

$$$$
UM-164.cdx
csChFnd80/10222016462D

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M  END
>  <Mol_ID> (145)
4015

>  <Formula> (145)
C30H31F3N8O3S

>  <MolWeight> (145)
640.6791496

>  <Cat> (145)
S8706

>  <Name> (145)
UM-164

>  <Synonyms> (145)
N/A

>  <Target> (145)
Src,p38 MAPK

>  <Form> (145)
free base

>  <CAS> (145)
903564-48-7

>  <URL> (145)
http://selleckchem.com/products/um-164.html

$$$$
S5373 Pseudolaric Acid B.cdx
csChFnd80/10222016462D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (146)
4043

>  <Formula> (146)
C23H28O8

>  <MolWeight> (146)
432.46362

>  <Cat> (146)
S5373

>  <Name> (146)
Pseudolaric Acid B

>  <Synonyms> (146)
N/A

>  <Target> (146)
p38

>  <Form> (146)
S5369

>  <CAS> (146)
82508-31-4 

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

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/10222016462D

 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> (147)
4127

>  <Formula> (147)
C8H8O3

>  <MolWeight> (147)
152.14732

>  <Cat> (147)
S9374

>  <Name> (147)
2',5'-Dihydroxyacetophenone

>  <CAS> (147)
490-78-8

$$$$
S9385 Ligustilide.cdx
csChFnd80/10222016462D

 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> (148)
4130

>  <Formula> (148)
C12H14O2

>  <MolWeight> (148)
190.23836

>  <Cat> (148)
S9385

>  <Name> (148)
Ligustilide

>  <CAS> (148)
4431-01-0

$$$$
S9408 Beta-Elemonic.cdx
csChFnd80/10222016462D

 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
    8.0621    8.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (149)
4146

>  <Formula> (149)
C30H46O3

>  <MolWeight> (149)
454.68444

>  <Cat> (149)
S9408

>  <Name> (149)
Beta-Elemonic

>  <Form> (149)
free base

>  <CAS> (149)
28282-25-9

$$$$
S9430 Tomatidine.cdx
csChFnd80/10222016462D

 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
    7.3352    2.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1011    4.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8845    2.0742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6575    1.7613    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
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  5 10  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 31  1  6  0  0  0
  8 12  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  1  0  0  0
 12 14  1  0  0  0  0
 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> (150)
4165

>  <Formula> (150)
C27H46ClNO2

>  <MolWeight> (150)
452.11264

>  <Cat> (150)
S9430

>  <Name> (150)
Tomatidine

>  <Form> (150)
free base

>  <CAS> (150)
6192-62-7

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/10222016462D

 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
    8.4705    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0490    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0490    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    6.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6669    8.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4 10  1  0  0  0  0
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  6 13  2  0  0  0  0
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  8 12  1  0  0  0  0
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  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
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 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> (151)
4166

>  <Formula> (151)
C22H24NO4+

>  <MolWeight> (151)
366.43026

>  <Cat> (151)
S9431

>  <Name> (151)
Dehydrocorydalin

>  <Form> (151)
free base

>  <CAS> (151)
30045-16-0

$$$$

csChFnd80/10222016462D

 38 43  0  0  0  0  0  0  0  0999 V2000
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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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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (152)
4246

>  <Formula> (152)
C25H21F3N6O3S

>  <MolWeight> (152)
542.5328496

>  <Cat> (152)
S7965

>  <Name> (152)
PLX8394

>  <Synonyms> (152)
N/A

>  <Target> (152)
Raf

>  <Form> (152)
Free Base

>  <CAS> (152)
1393466-87-9

>  <URL> (152)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/10222016462D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (153)
4268

>  <Formula> (153)
C25H25F3N4O4

>  <MolWeight> (153)
502.4856096

>  <Cat> (153)
S8745

>  <Name> (153)
LXH254

>  <Synonyms> (153)
N/A

>  <Target> (153)
Raf

>  <Form> (153)
Free Base

>  <CAS> (153)
1800398-38-2

>  <URL> (153)
http://www.selleckchem.com/products/lxh254.html

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/10222016462D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (154)
4311

>  <Formula> (154)
C27H32O16

>  <MolWeight> (154)
612.53338

>  <Cat> (154)
S9061

>  <Name> (154)
Hydroxy safflor yellow A

>  <Form> (154)
free base

>  <CAS> (154)
78281-02-4

$$$$
S9075 Mulberroside A.cdx
csChFnd80/10222016462D

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   14.5493    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
M  END
>  <Mol_ID> (155)
4324

>  <Formula> (155)
C26H32O14

>  <MolWeight> (155)
568.52388

>  <Cat> (155)
S9075

>  <Name> (155)
Mulberroside A

>  <Form> (155)
free base

>  <CAS> (155)
102841-42-9

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/10222016462D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    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
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    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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  8 13  1  0  0  0  0
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (156)
4329

>  <Formula> (156)
C21H20O6

>  <MolWeight> (156)
368.3799

>  <Cat> (156)
S9080

>  <Name> (156)
Anhydroicaritin

>  <Form> (156)
free base

>  <CAS> (156)
118525-40-9

$$$$
S9084 Rhoifolin.cdx
csChFnd80/10222016462D

 41 45  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 38 41  1  1  0  0  0
M  END
>  <Mol_ID> (157)
4333

>  <Formula> (157)
C27H30O14

>  <MolWeight> (157)
578.5187

>  <Cat> (157)
S9084

>  <Name> (157)
Rhoifolin

>  <Form> (157)
free base

>  <CAS> (157)
17306-46-6

$$$$
S9091 10-Gingerol.cdx
csChFnd80/10222016462D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (158)
4340

>  <Formula> (158)
C21H34O4

>  <MolWeight> (158)
350.49226

>  <Cat> (158)
S9091

>  <Name> (158)
10-Gingerol

>  <Form> (158)
free base

>  <CAS> (158)
23513-15-7

$$$$
S9092 Norisoboldine.cdx
csChFnd80/10222016462D

 24 27  0  0  0  0  0  0  0  0999 V2000
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csChFnd80/10222016462D

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$$$$
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$$$$
S9127 Carnosol.cdx
csChFnd80/10222016462D

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4370

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C20H26O4

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free base

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5957-80-2

$$$$
S9183 Ruscogenin.cdx
csChFnd80/10222016462D

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M  END
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4414

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C27H42O4

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430.61998

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S9183

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Ruscogenin

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free base

>  <CAS> (164)
472-11-7

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/10222016462D

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4416

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C21H18ClNO4

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383.82492

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S9185

>  <Name> (165)
Nitidine Chloride

>  <Form> (165)
free base

>  <CAS> (165)
13063-04-2

$$$$
S9246 Tiliroside.cdx
csChFnd80/10222016462D

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4459

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C30H26O13

>  <MolWeight> (166)
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>  <Cat> (166)
S9246

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Tiliroside

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free base

>  <CAS> (166)
20316-62-5

$$$$
S9281 Peimine.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (167)
4485

>  <Formula> (167)
C27H45NO3

>  <MolWeight> (167)
431.6511

>  <Cat> (167)
S9281

>  <Name> (167)
Peimine

>  <Form> (167)
free base

>  <CAS> (167)
23496-41-5

$$$$
S9287 Genkwanin.cdx
csChFnd80/10222016462D

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>  <Mol_ID> (168)
4491

>  <Formula> (168)
C16H12O5

>  <MolWeight> (168)
284.26348

>  <Cat> (168)
S9287

>  <Name> (168)
Genkwanin

>  <Form> (168)
free base

>  <CAS> (168)
437-64-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/10222016462D

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 10  9  1  1  0  0  0
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M  END
>  <Mol_ID> (169)
4505

>  <Formula> (169)
C17H26O11

>  <MolWeight> (169)
406.38174

>  <Cat> (169)
S9307

>  <Name> (169)
Shanzhiside methyl ester

>  <Form> (169)
free base

>  <CAS> (169)
64421-28-9

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/10222016462D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (170)
4512

>  <Formula> (170)
C21H22O7

>  <MolWeight> (170)
386.39518

>  <Cat> (170)
S9315

>  <Name> (170)
Praeruptorin A

>  <Form> (170)
free base

>  <CAS> (170)
73069-25-7

$$$$
S9328 5,6,7-Trimethoxyflavone.cdx
csChFnd80/10222016462D

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    9.6995    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
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    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
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  3  7  1  0  0  0  0
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 10 16  1  0  0  0  0
 13 17  2  0  0  0  0
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 14 23  1  0  0  0  0
M  END
>  <Mol_ID> (171)
4637

>  <Formula> (171)
C18H16O5

>  <MolWeight> (171)
312.31664

>  <Cat> (171)
S9328

>  <Name> (171)
5,6,7-Trimethoxyflavone

>  <Form> (171)
free base

>  <CAS> (171)
973-67-1

$$$$

csChFnd80/10222016462D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 13  7  1  0  0  0  0
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 22  9  1  0  0  0  0
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M  END
>  <Mol_ID> (172)
4730

>  <Formula> (172)
C29H37N7O5S

>  <MolWeight> (172)
595.71298

>  <Cat> (172)
S5078

>  <Name> (172)
Osimertinib mesylate

>  <Synonyms> (172)
AZD9291 mesylate

>  <Target> (172)
EGFR

>  <Form> (172)
mesylate

>  <CAS> (172)
1421373-66-1

>  <URL> (172)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/10222016462D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (173)
4870

>  <Formula> (173)
C22H21F3N6O2

>  <MolWeight> (173)
458.4363496

>  <Cat> (173)
S8801

>  <Name> (173)
CC-90003

>  <Synonyms> (173)
N/A

>  <Target> (173)
ERK

>  <Form> (173)
Free Base

>  <CAS> (173)
1621999-82-3

>  <URL> (173)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/10222016462D

 44 48  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (174)
4885

>  <Formula> (174)
C28H32O16

>  <MolWeight> (174)
624.54408

>  <Cat> (174)
S9455

>  <Name> (174)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (174)
N/A

>  <Target> (174)
Others

>  <Form> (174)
Free Base

>  <CAS> (174)
55033-90-4

>  <URL> (174)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/10222016462D

 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> (175)
4921

>  <Formula> (175)
C30H48O5

>  <MolWeight> (175)
488.69912

>  <Cat> (175)
S9514

>  <Name> (175)
Rotundic acid

>  <Synonyms> (175)
Rutundic acid

>  <Target> (175)
Others

>  <Form> (175)
Free Base

>  <CAS> (175)
20137-37-5

>  <URL> (175)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/10222016462D

 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> (176)
4935

>  <Formula> (176)
C10H8O5

>  <MolWeight> (176)
208.16752

>  <Cat> (176)
S9503

>  <Name> (176)
Fraxetin

>  <Synonyms> (176)
7,8-dihydroxy-6-methoxy coumarin

>  <Target> (176)
Others

>  <Form> (176)
free base

>  <CAS> (176)
574-84-5

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

$$$$

csChFnd80/10222016462D

 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> (177)
5128

>  <Formula> (177)
C27H30O16R

>  <MolWeight> (177)
610.5175

>  <Cat> (177)
S6264

>  <Name> (177)
Rutin hydrate

>  <Synonyms> (177)
Quercetin-3-O-rutinoside, Rutoside, Sophorin

>  <Target> (177)
Others

>  <Form> (177)
free base

>  <CAS> (177)
207671-50-9

>  <URL> (177)
http://www.selleck.cn/products/rutin-hydrate.html

$$$$

csChFnd80/10222016462D

 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> (178)
5182

>  <Formula> (178)
C9H10O4

>  <MolWeight> (178)
182.1733

>  <Cat> (178)
S6338

>  <Name> (178)
3,4-Dihydroxyhydrocinnamic acid

>  <Synonyms> (178)
Dihydrocaffeic acid

>  <Target> (178)
Others

>  <Form> (178)
free base

>  <CAS> (178)
1078-61-1

>  <URL> (178)
http://www.selleck.cn/products/3-4-dihydroxyhydrocinnamic-acid.html

$$$$

csChFnd80/10222016462D

 34 37  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  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
    1.2124    6.3000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Raf

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free base

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942507-42-8

>  <URL> (179)
http://www.selleck.cn/products/az304.html

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S8701

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>  <Synonyms> (180)
N/A

>  <Target> (180)
ERK

>  <Form> (180)
Free Base

>  <CAS> (180)
1184173-73-6

>  <URL> (180)
http://www.selleck.cn/products/mk-8353-sch900353.html

$$$$

csChFnd80/10222016462D

 21 23  0  0  0  0  0  0  0  0999 V2000
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N/A

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>  <Form> (181)
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>  <CAS> (181)
1811510-56-1

>  <URL> (181)
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$$$$

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>  <MolWeight> (182)
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>  <Synonyms> (182)
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>  <Target> (182)
p38 MAPK

>  <Form> (182)
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>  <CAS> (182)
271576-80-8

>  <URL> (182)
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M  END
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6684

>  <Formula> (183)
C16H15N3O2

>  <MolWeight> (183)
281.3092

>  <Cat> (183)
S6521

>  <Name> (183)
WHI-P258

>  <Synonyms> (183)
N/A

>  <Target> (183)
JAK

>  <Form> (183)
free base

>  <CAS> (183)
21561-09-1

>  <URL> (183)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/10222016462D

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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (184)
6696

>  <Formula> (184)
C29H24F3N5O

>  <MolWeight> (184)
515.5289696

>  <Cat> (184)
S6538

>  <Name> (184)
B-Raf IN 1

>  <Synonyms> (184)
N/A

>  <Target> (184)
Raf

>  <Form> (184)
free base

>  <CAS> (184)
950736-05-7

>  <URL> (184)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/10222016462D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (185)
6717

>  <Formula> (185)
C16H16F3N5

>  <MolWeight> (185)
335.3269496

>  <Cat> (185)
S6578

>  <Name> (185)
Longdaysin

>  <Synonyms> (185)
N/A

>  <Target> (185)
Casein Kinase

>  <Form> (185)
free base

>  <CAS> (185)
1353867-91-0

>  <URL> (185)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/10222016462D

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M  END
>  <Mol_ID> (186)
6744

>  <Formula> (186)
C25H23N5O2S

>  <MolWeight> (186)
457.54742

>  <Cat> (186)
S8867

>  <Name> (186)
Bentamapimod

>  <Synonyms> (186)
N/A

>  <Target> (186)
JNK

>  <Form> (186)
free base

>  <CAS> (186)
848344-36-5

>  <URL> (186)
http://www.selleck.cn/products/bentamapimod.html

$$$$

csChFnd80/10222016462D

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N/A

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CDK

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Free Base

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189232-42-6

>  <URL> (187)
http://www.selleck.cn/products/bohemine.html

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C10H5N3O3

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N/A

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ERK

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Free Base

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118409-62-4

>  <URL> (188)
http://www.selleck.cn/products/ag-126.html

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M  END
>  <Mol_ID> (189)
6808

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C15H9N3O

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IQ-1S

>  <Synonyms> (189)
N/A

>  <Target> (189)
JNK

>  <Form> (189)
Free Base

>  <CAS> (189)
23146-22-7

>  <URL> (189)
http://www.selleck.cn/products/iq-1s.html

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csChFnd80/10222016462D

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  4  7  1  0  0  0  0
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6824

>  <Formula> (190)
C22H25ClN6O

>  <MolWeight> (190)
424.9265

>  <Cat> (190)
S6730

>  <Name> (190)
CC-401 Hydrochloride

>  <Synonyms> (190)
N/A

>  <Target> (190)
JNK

>  <Form> (190)
Hydrochloride

>  <CAS> (190)
1438391-30-0

>  <URL> (190)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

csChFnd80/10222016462D

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>  <Formula> (191)
C17H15N5O2

>  <MolWeight> (191)
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>  <Cat> (191)
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DB07268

>  <Synonyms> (191)
N/A

>  <Target> (191)
JNK

>  <Form> (191)
Free Base

>  <CAS> (191)
929007-72-7

>  <URL> (191)
http://www.selleck.cn/products/db07268.html

$$$$

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>  <Mol_ID> (192)
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C23H16ClFN6OS

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>  <Name> (192)
Belvarafenib(GDC5573, HM95573, RG6185)

>  <Synonyms> (192)
N/A

>  <Target> (192)
Raf

>  <Form> (192)
Free Base

>  <CAS> (192)
1446113-23-0

>  <URL> (192)
http://www.selleck.cn/products/belvarafenib.html

$$$$

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6863

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C29H30F3N5O2

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S8868

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NG25

>  <Synonyms> (193)
N/A

>  <Target> (193)
TGF-beta/Smad

>  <Form> (193)
Free Base

>  <CAS> (193)
1315355-93-1

>  <URL> (193)
http://www.selleck.cn/products/ng25.html

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csChFnd80/10222016462D

 31 35  0  0  0  0  0  0  0  0999 V2000
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6899

>  <Formula> (194)
C25H20N4O2

>  <MolWeight> (194)
408.4519

>  <Cat> (194)
S6658

>  <Name> (194)
ETC-206

>  <Synonyms> (194)
ETC-1907206

>  <Target> (194)
MNK

>  <Form> (194)
Free Base

>  <CAS> (194)
1464151-33-4

>  <URL> (194)
http://www.selleck.cn/products/etc-206.html

$$$$

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>  <Formula> (195)
C26H21Cl3N8

>  <MolWeight> (195)
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>  <Cat> (195)
S6660

>  <Name> (195)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (195)
N/A

>  <Target> (195)
Raf

>  <Form> (195)
Dihydrochloride

>  <CAS> (195)
1191385-19-9

>  <URL> (195)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

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M  END
>  <Mol_ID> (196)
6913

>  <Formula> (196)
C20H14ClN3O

>  <MolWeight> (196)
347.79766

>  <Cat> (196)
S6680

>  <Name> (196)
L-779450

>  <Synonyms> (196)
L-779,450

>  <Target> (196)
Raf

>  <Form> (196)
Free Base

>  <CAS> (196)
303727-31-3

>  <URL> (196)
http://www.selleck.cn/products/l-779450.html

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csChFnd80/10222016462D

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M  END
>  <Mol_ID> (197)
6985

>  <Formula> (197)
C26H23N5O2

>  <MolWeight> (197)
437.49312

>  <Cat> (197)
S8961

>  <Name> (197)
Alobresib (GS-5829)

>  <Synonyms> (197)
N/A

>  <Target> (197)
Epigenetic Reader Do

>  <Form> (197)
Free Base

>  <CAS> (197)
1637771-14-2

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

$$$$

csChFnd80/10222016462D

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M  END
>  <Mol_ID> (198)
6996

>  <Formula> (198)
C20H13FN4O2

>  <MolWeight> (198)
360.3412232

>  <Cat> (198)
S5183

>  <Name> (198)
PD 169316

>  <Synonyms> (198)
N/A

>  <Target> (198)
p38 MAPK

>  <Form> (198)
Free Base

>  <CAS> (198)
152121-53-4

>  <URL> (198)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/10222016462D

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M  END
>  <Mol_ID> (199)
7012

>  <Formula> (199)
C17H11BrFN3O2

>  <MolWeight> (199)
388.1905432

>  <Cat> (199)
S6786

>  <Name> (199)
ERK5-IN-2

>  <Synonyms> (199)
N/A

>  <Target> (199)
ERK

>  <Form> (199)
Free Base

>  <CAS> (199)
1888305-96-1

>  <URL> (199)
http://www.selleckchem.com/products/erk5-in-2.html

$$$$

csChFnd80/10222016462D

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>  <Mol_ID> (200)
7023

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C20H13F2N3

>  <MolWeight> (200)
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>  <Cat> (200)
S6807

>  <Name> (200)
TA-02

>  <Synonyms> (200)
N/A

>  <Target> (200)
p38 MAPK

>  <Form> (200)
Free Base

>  <CAS> (200)
1784751-19-4

>  <URL> (200)
http://www.selleckchem.com/products/ta-02.html

$$$$

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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  8  1  0  0  0  0
 11 12  1  0  0  0  0
  5 11  1  0  0  0  0
 13 14  1  0  0  0  0
  2 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 22 23  1  0  0  0  0
 21 22  1  0  0  0  0
 19 21  1  0  0  0  0
 18 24  1  0  0  0  0
 17 26  1  0  0  0  0
 10 15  1  0  0  0  0
 24 25  3  0  0  0  0
M  END
>  <Mol_ID> (201)
7108

>  <Formula> (201)
C18H20N4O4

>  <MolWeight> (201)
356.3758

>  <Cat> (201)
S7794

>  <Name> (201)
JNK Inhibitor VIII

>  <Synonyms> (201)
TCS?JNK?6o

>  <Target> (201)
JNK

>  <Form> (201)
Free Base

>  <CAS> (201)
894804-07-0

>  <URL> (201)
http://www.selleckchem.com/products/jnk-inhibitor-viii.html

$$$$

csChFnd80/10222016462D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   11.3638   11.3027    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 15 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (202)
7151

>  <Formula> (202)
C21H19N3O3

>  <MolWeight> (202)
361.39386

>  <Cat> (202)
S0268

>  <Name> (202)
DMX-5084

>  <Target> (202)
MAP4K

>  <Form> (202)
free base

>  <CAS> (202)
2306178-56-1

>  <URL> (202)
http://www.selleckchem.com/products/dmx-5084.html

$$$$

csChFnd80/10222016462D

 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
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   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> (203)
7185

>  <Formula> (203)
C23H40N2O3

>  <MolWeight> (203)
392.5753

>  <Cat> (203)
S0752

>  <Name> (203)
AUDA

>  <Target> (203)
Epoxide Hydrolase

>  <Form> (203)
free base

>  <CAS> (203)
479413-70-2

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

$$$$

csChFnd80/10222016462D

 40 43  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
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 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
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 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> (204)
7197

>  <Formula> (204)
C30H48O7

>  <MolWeight> (204)
520.69792

>  <Cat> (204)
S0949

>  <Name> (204)
Cucurbitacin IIb

>  <Target> (204)
STAT

>  <Form> (204)
free base

>  <CAS> (204)
50298-90-3

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

$$$$

csChFnd80/10222016462D

 23 24  0  0  0  0  0  0  0  0999 V2000
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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
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (205)
7230

>  <Formula> (205)
C18H20O5

>  <MolWeight> (205)
316.3484

>  <Cat> (205)
S3242

>  <Name> (205)
Loureirin B

>  <Target> (205)
PAI-1

>  <Form> (205)
free base

>  <CAS> (205)
119425-90-0

>  <URL> (205)
http://www.selleckchem.com/products/loureirin-b.html

$$$$

csChFnd80/10222016462D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.7791    4.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    6.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    5.0655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    5.7655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    3.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    5.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7670    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2019    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5719    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  5  2  1  6  0  0  0
  6  3  1  1  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (206)
7258

>  <Formula> (206)
C12H16O4

>  <MolWeight> (206)
224.25304

>  <Cat> (206)
S3275

>  <Name> (206)
Senkyunolide I

>  <Target> (206)
ERK

>  <Form> (206)
free base

>  <CAS> (206)
94596-28-8

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

$$$$

csChFnd80/10222016462D

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1941    9.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (207)
7266

>  <Formula> (207)
C27H34O12

>  <MolWeight> (207)
550.55166

>  <Cat> (207)
S3284

>  <Name> (207)
Tracheloside

>  <Target> (207)
phosphatase

>  <Form> (207)
free base

>  <CAS> (207)
33464-71-0

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

$$$$

csChFnd80/10222016462D

 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
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    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (208)
7272

>  <Formula> (208)
C17H24O2

>  <MolWeight> (208)
260.37126

>  <Cat> (208)
S3292

>  <Name> (208)
Falcarindiol

>  <Target> (208)
NOS

>  <Form> (208)
free base

>  <CAS> (208)
225110-25-8

>  <URL> (208)
http://www.selleckchem.com/products/falcarindiol.html

$$$$

csChFnd80/10222016462D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 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
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  2  3  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (209)
7296

>  <Formula> (209)
C27H33ClN2O4

>  <MolWeight> (209)
485.01492

>  <Cat> (209)
S6760

>  <Name> (209)
LM22B-10

>  <Target> (209)
Trk receptor

>  <Form> (209)
free base

>  <CAS> (209)
342777-54-2

>  <URL> (209)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/10222016462D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
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7318

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C20H11N5OS

>  <MolWeight> (210)
369.39924

>  <Cat> (210)
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>  <Target> (210)
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>  <Form> (210)
free base

>  <CAS> (210)
487020-03-1

>  <URL> (210)
http://www.selleckchem.com/products/hi-topk-032.html

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csChFnd80/10222016462D

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M  END
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>  <Formula> (211)
C19H15ClN4O

>  <MolWeight> (211)
350.8016

>  <Cat> (211)
S6888

>  <Name> (211)
SEL201

>  <Target> (211)
MNK

>  <Form> (211)
free base

>  <CAS> (211)
2095704-43-9

>  <URL> (211)
http://www.selleckchem.com/products/sel201.html

$$$$

csChFnd80/10222016462D

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>  <Mol_ID> (212)
7327

>  <Formula> (212)
C33H36N2O3

>  <MolWeight> (212)
508.65054

>  <Cat> (212)
S6905

>  <Name> (212)
MCP110

>  <Target> (212)
Ras

>  <Form> (212)
free base

>  <CAS> (212)
521310-51-0

>  <URL> (212)
http://www.selleckchem.com/products/mcp110.html

$$$$

csChFnd80/10222016462D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (213)
7349

>  <Formula> (213)
C23H25F3N4O3

>  <MolWeight> (213)
462.4648096

>  <Cat> (213)
S8916

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>  <Target> (213)
Ras

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free base

>  <CAS> (213)
2230836-55-0

>  <URL> (213)
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$$$$

csChFnd80/10222016462D

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    0.0000    0.6966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  1  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 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
M  ISO  1  30   2
M  ISO  1  31   2
M  ISO  1  32   2
M  END
>  <Mol_ID> (214)
7369

>  <Formula> (214)
C21H13ClD3F3N4O3

>  <MolWeight> (214)
467.843434934

>  <Cat> (214)
S9621

>  <Name> (214)
Donafenib (Sorafenib D3)

>  <Target> (214)
Raf

>  <Form> (214)
free base

>  <CAS> (214)
1130115-44-4

>  <URL> (214)
http://www.selleckchem.com/products/donafenib-sorafenib-d3.html

$$$$

csChFnd80/10222016462D

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M  END
>  <Mol_ID> (215)
7379

>  <Formula> (215)
C97H144FN33O19S2

>  <MolWeight> (215)
2159.5193632

>  <Cat> (215)
S9665

>  <Name> (215)
Motixafortide (BL-8040)

>  <Target> (215)
CXCR

>  <Form> (215)
free base

>  <CAS> (215)
664334-36-5

>  <URL> (215)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$
