untitled.cdx
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>  <Mol_ID> (1)
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>  <MolWeight> (1)
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>  <Name> (1)
Bortezomib (Velcade)

>  <Synonyms> (1)
MG-341, PS-341

>  <Target> (1)
Proteasome

>  <Form> (1)
Free Base

>  <CAS> (1)
179324-69-7

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

$$$$
untitled.cdx
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>  <Mol_ID> (2)
13

>  <Formula> (2)
C53H84NO14P

>  <MolWeight> (2)
990.206121

>  <Cat> (2)
S1022

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

>  <Synonyms> (2)
AP23573, MK-8669

>  <Target> (2)
mTOR

>  <Form> (2)
Free Base

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

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

$$$$
1.cdx
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>  <Mol_ID> (3)
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>  <Formula> (3)
C19H16N4O3

>  <MolWeight> (3)
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>  <Cat> (3)
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>  <Name> (3)
PI-103

>  <Synonyms> (3)
N/A

>  <Target> (3)
DNA-PK, PI3K, mTOR

>  <Form> (3)
Free Base

>  <CAS> (3)
371935-74-9

>  <URL> (3)
http://www.selleckchem.com/products/PI-103.html

$$$$
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M  END
>  <Mol_ID> (4)
27

>  <Formula> (4)
C51H79NO13

>  <MolWeight> (4)
914.17186

>  <Cat> (4)
S1039

>  <Name> (4)
Rapamycin (Sirolimus)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
mTOR 

>  <Form> (4)
Free Base

>  <CAS> (4)
53123-88-9

>  <URL> (4)
http://www.selleckchem.com/products/Rapamycin.html

$$$$
nutlin-3.cdx
csChFnd80/05211909582D

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M  END
>  <Mol_ID> (5)
39

>  <Formula> (5)
C30H30Cl2N4O4

>  <MolWeight> (5)
581.4896

>  <Cat> (5)
S1061

>  <Name> (5)
Nutlin-3

>  <Synonyms> (5)
N/A

>  <Target> (5)
Mdm2

>  <Form> (5)
Free Base

>  <CAS> (5)
548472-68-0

>  <URL> (5)
http://www.selleckchem.com/products/Nutlin-3.html

$$$$
Everolimus.cdx
csChFnd80/05211909582D

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159351-69-6

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p53 

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Free Base

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881202-45-5

>  <URL> (7)
http://www.selleckchem.com/products/JNJ-26854165.html

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284028-89-3

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>  <Synonyms> (13)
N/A 

>  <Target> (13)
PI3K, mTOR

>  <Form> (13)
Free Base

>  <CAS> (13)
1349796-36-6

>  <URL> (13)
http://www.selleckchem.com/products/XL765(SAR245409).html#

$$$$
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csChFnd80/05211909582D

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339

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C25H31N5O4

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465.54474

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S1555

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AZD8055

>  <Synonyms> (14)
N/A 

>  <Target> (14)
mTOR

>  <Form> (14)
Free Base

>  <CAS> (14)
1009298-09-2

>  <URL> (14)
http://www.selleckchem.com/products/AZD8055.html

$$$$
APRISO (mesalamine).cdx
csChFnd80/05211909582D

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>  <Mol_ID> (15)
410

>  <Formula> (15)
C7H7NO3

>  <MolWeight> (15)
153.13538

>  <Cat> (15)
S1681

>  <Name> (15)
Mesalamine (Lialda)

>  <Synonyms> (15)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (15)
I¦ÊB/IKK

>  <Form> (15)
Free Base

>  <CAS> (15)
89-57-6

>  <URL> (15)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

$$$$
MLN2238.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (16)
570

>  <Formula> (16)
C14H19BCl2N2O4

>  <MolWeight> (16)
361.02866

>  <Cat> (16)
S2180

>  <Name> (16)
Ixazomib (MLN2238)

>  <Synonyms> (16)
N/A

>  <Target> (16)
Proteasome 

>  <Form> (16)
Free Base

>  <CAS> (16)
1072833-77-2

>  <URL> (16)
http://www.selleckchem.com/products/MLN-2238.html

$$$$
MLN9708.cdx
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>  <Mol_ID> (17)
574

>  <Formula> (17)
C20H23BCl2N2O9

>  <MolWeight> (17)
517.12162

>  <Cat> (17)
S2181

>  <Name> (17)
Ixazomib Citrate (MLN9708)

>  <Synonyms> (17)
N/A

>  <Target> (17)
Proteasome

>  <Form> (17)
Free Base

>  <CAS> (17)
1201902-80-8

>  <URL> (17)
http://www.selleckchem.com/products/MLN9708.html

$$$$
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M  END
>  <Mol_ID> (18)
594

>  <Formula> (18)
C16H16N6O

>  <MolWeight> (18)
308.33784

>  <Cat> (18)
S2218

>  <Name> (18)
Torkinib (PP242)

>  <Synonyms> (18)
TORKinib 

>  <Target> (18)
mTOR

>  <Form> (18)
Free Base

>  <CAS> (18)
1092351-67-1

>  <URL> (18)
http://www.selleckchem.com/products/PP242.html

$$$$
Andrographolide.cdx
csChFnd80/05211909582D

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M  END
>  <Mol_ID> (19)
603

>  <Formula> (19)
C20H30O5

>  <MolWeight> (19)
350.4492

>  <Cat> (19)
S2261

>  <Name> (19)
Andrographolide

>  <Synonyms> (19)
N/A

>  <Target> (19)
NF-¦ÊB

>  <Form> (19)
Free Base

>  <CAS> (19)
5508-58-7

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

$$$$
Indole-3-carbinol.cdx
csChFnd80/05211909582D

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    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5398    4.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (20)
643

>  <Formula> (20)
C9H9NO

>  <MolWeight> (20)
147.17386

>  <Cat> (20)
S2313

>  <Name> (20)
Indole-3-carbinol

>  <Synonyms> (20)
N/A

>  <Target> (20)
NF-¦ÊB

>  <Form> (20)
Free Base

>  <CAS> (20)
700-06-1

>  <URL> (20)
http://www.selleckchem.com/products/Indole-3-carbinol.html

$$$$
Magnolol.cdx
csChFnd80/05211909582D

 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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    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
    6.2927    6.0496    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
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  9 17  1  0  0  0  0
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M  END
>  <Mol_ID> (21)
649

>  <Formula> (21)
C18H18O2

>  <MolWeight> (21)
266.33432

>  <Cat> (21)
S2321

>  <Name> (21)
Magnolol

>  <Synonyms> (21)
2,2'-Bichavicol

>  <Target> (21)
NF-¦ÊB

>  <Form> (21)
Free Base

>  <CAS> (21)
528-43-8

>  <URL> (21)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
Parthenolide.cdx
csChFnd80/05211909582D

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    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (22)
664

>  <Formula> (22)
C15H20O3

>  <MolWeight> (22)
248.3175

>  <Cat> (22)
S2341

>  <Name> (22)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (22)
N/A 

>  <Target> (22)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (22)
Free Base

>  <CAS> (22)
20554-84-1

>  <URL> (22)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

$$$$
Chrysophanic acid.cdx
csChFnd80/05211909582D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (23)
678

>  <Formula> (23)
C15H10O4

>  <MolWeight> (23)
254.2375

>  <Cat> (23)
S2406

>  <Name> (23)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (23)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (23)
EGFR, mTOR

>  <Form> (23)
Free Base

>  <CAS> (23)
481-74-3

>  <URL> (23)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/05211909582D

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    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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APC

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N/A

>  <Target> (28)
DNA-PK, mTOR, PDGF

>  <Form> (28)
Free Base

>  <CAS> (28)
1092788-83-4

>  <URL> (28)
http://www.selleckchem.com/products/PP121.html

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768

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N/A

>  <Target> (29)
DUB, Bcr-Abl

>  <Form> (29)
Free Base

>  <CAS> (29)
856243-80-6

>  <URL> (29)
http://www.selleckchem.com/products/WP1130.html

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802

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494.5908

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WAY-600

>  <Synonyms> (30)
N/A 

>  <Target> (30)
mTOR

>  <Form> (30)
Free Base

>  <CAS> (30)
1062159-35-6 

>  <URL> (30)
http://www.selleckchem.com/products/way-600.html

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csChFnd80/05211909582D

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WYE-125132

>  <Synonyms> (31)
N/A

>  <Target> (31)
mTOR

>  <Form> (31)
Free Base

>  <CAS> (31)
1144068-46-1

>  <URL> (31)
http://www.selleckchem.com/products/wye-125132.html

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Curcumin.cdx
csChFnd80/05211909582D

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Curcumin

>  <Synonyms> (32)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (32)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (32)
Free Base

>  <CAS> (32)
458-37-7

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

$$$$
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822

>  <Formula> (33)
C33H32N4O4

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548.63158

>  <Cat> (33)
S2662 

>  <Name> (33)
ICG-001

>  <Synonyms> (33)
N/A

>  <Target> (33)
Wnt/beta-catenin

>  <Form> (33)
Free Base

>  <CAS> (33)
780757-88-2

>  <URL> (33)
http://www.selleckchem.com/products/icg-001.html

$$$$
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843

>  <Formula> (34)
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>  <Name> (34)
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>  <Synonyms> (34)
N/A 

>  <Target> (34)
mTOR, PI3K

>  <Form> (34)
Free Base

>  <CAS> (34)
1032754-93-0

>  <URL> (34)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
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856

>  <Formula> (35)
C15H15N7O

>  <MolWeight> (35)
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>  <Cat> (35)
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>  <Name> (35)
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>  <Synonyms> (35)
N/A 

>  <Target> (35)
mTOR 

>  <Form> (35)
Free Base

>  <CAS> (35)
1224844-38-5

>  <URL> (35)
http://www.selleckchem.com/products/ink128.html

$$$$
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1013101-36-4 

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PI3K, mTOR

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Maleate

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1245537-68-1

>  <URL> (37)
http://www.selleckchem.com/products/nvp-bgt226.html

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702675-74-9

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csChFnd80/05211909582D

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    6.4229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
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  1 10  2  0  0  0  0
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 12 13  1  0  0  0  0
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 13 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (44)
1024

>  <Formula> (44)
C13H10N2O4

>  <MolWeight> (44)
258.2295

>  <Cat> (44)
S1193

>  <Name> (44)
Thalidomide

>  <Synonyms> (44)
Thalomid 

>  <Target> (44)
E3 Ligase ,TNF-alpha

>  <Form> (44)
Free Base

>  <CAS> (44)
50-35-1

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

$$$$
Sodium salicylate.cdx
csChFnd80/05211909582D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (45)
1037

>  <Formula> (45)
C7H6NaO3

>  <MolWeight> (45)
161.11051

>  <Cat> (45)
S3137

>  <Name> (45)
Sodium salicylate

>  <Synonyms> (45)
N/A 

>  <Target> (45)
NF-¦ÊB

>  <Form> (45)
sodium salt

>  <CAS> (45)
54-21-7

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

$$$$
TPCA-1.cdx
csChFnd80/05211909582D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8219    6.4985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0330    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2482    4.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9947    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    1.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 12 15  1  0  0  0  0
  4  9  1  0  0  0  0
 17 18  2  0  0  0  0
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  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (46)
1040

>  <Formula> (46)
C12H10FN3O2S

>  <MolWeight> (46)
279.2901032

>  <Cat> (46)
S2824

>  <Name> (46)
TPCA-1

>  <Synonyms> (46)
N/A 

>  <Target> (46)
IKK

>  <Form> (46)
Free Base

>  <CAS> (46)
507475-17-4

>  <URL> (46)
http://www.selleckchem.com/products/tpca-1.html

$$$$
carfilzomib(PR-171).cdx
csChFnd80/05211909582D

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2989    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7154    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 52 47  1  0  0  0  0
M  END
>  <Mol_ID> (47)
1073

>  <Formula> (47)
C40H57N5O7

>  <MolWeight> (47)
719.90988

>  <Cat> (47)
S2853

>  <Name> (47)
Carfilzomib (PR-171)

>  <Synonyms> (47)
N/A 

>  <Target> (47)
Proteasome

>  <Form> (47)
Free Base

>  <CAS> (47)
868540-17-4

>  <URL> (47)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

$$$$
IMD0354.cdx
csChFnd80/05211909582D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (48)
1086

>  <Formula> (48)
C15H8ClF6NO2

>  <MolWeight> (48)
383.6729392

>  <Cat> (48)
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Sodium Salt

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133-10-8

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

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DUB

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1009817-63-3

>  <URL> (56)
http://www.selleckchem.com/products/b-ap15.html

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1485-00-3

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

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M  END
>  <Mol_ID> (58)
1535

>  <Formula> (58)
C44H69NO12

>  <MolWeight> (58)
804.01816

>  <Cat> (58)
S5003

>  <Name> (58)
Tacrolimus (FK506)

>  <Synonyms> (58)
FR900506

>  <Target> (58)
mTOR

>  <Form> (58)
Free Base

>  <CAS> (58)
104987-11-3

>  <URL> (58)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (59)
1538

>  <Formula> (59)
C56H87NO16

>  <MolWeight> (59)
1030.28708

>  <Cat> (59)
S1044

>  <Name> (59)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (59)
N/A

>  <Target> (59)
mTOR

>  <Form> (59)
Free Base

>  <CAS> (59)
162635-04-3

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

$$$$
AT-406.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (60)
1696

>  <Formula> (60)
C32H43N5O4

>  <MolWeight> (60)
561.71492

>  <Cat> (60)
S2754

>  <Name> (60)
AT-406

>  <Synonyms> (60)
N/A

>  <Target> (60)
IAP

>  <Form> (60)
Free Base

>  <CAS> (60)
1071992-99-8, 1071992-57-8 (HCl)

>  <URL> (60)
http://www.selleckchem.com/products/at-406.html

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/05211909582D

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    4.8496    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  2  1  1  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (61)
1750

>  <Formula> (61)
C18H16O8

>  <MolWeight> (61)
360.31484

>  <Cat> (61)
S3612

>  <Name> (61)
Rosmarinic acid

>  <Synonyms> (61)
Rosemary acid

>  <Target> (61)
IKK ¦Â

>  <Form> (61)
free base

>  <CAS> (61)
20283-92-5

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

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/05211909582D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1810    2.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    2.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (62)
1767

>  <Formula> (62)
C5H12N2S2

>  <MolWeight> (62)
164.29218

>  <Cat> (62)
S3633

>  <Name> (62)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (62)
APDC, PDTC

>  <Target> (62)
NF-¦ÊB

>  <Form> (62)
ammonium salt

>  <CAS> (62)
5108-96-3

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

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/05211909582D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7509    2.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5841    3.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0184    2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4441    4.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1553    6.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    6.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    6.0001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    8.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3505    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    7.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    3.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
  9 13  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 14  2  0  0  0  0
  8 15  2  0  0  0  0
 12 16  2  0  0  0  0
  4 17  2  0  0  0  0
 13 18  1  6  0  0  0
  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (63)
1771

>  <Formula> (63)
C15H18O2

>  <MolWeight> (63)
230.30222

>  <Cat> (63)
S3615

>  <Name> (63)
Dehydrocostus Lactone

>  <Synonyms> (63)
N/A

>  <Target> (63)
 IKK¦Â

>  <Form> (63)
free base

>  <CAS> (63)
477-43-0

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

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/05211909582D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0326    4.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    6.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (64)
1773

>  <Formula> (64)
C9H10O4

>  <MolWeight> (64)
182.1733

>  <Cat> (64)
S3630

>  <Name> (64)
Methyl Vanillate

>  <Synonyms> (64)
N/A

>  <Target> (64)
Wnt/¦Â-Catenin

>  <Form> (64)
free base

>  <CAS> (64)
3943-74-6

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

$$$$
S3942 Cardamonin.cdx
csChFnd80/05211909582D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.8998    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
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (65)
1882

>  <Formula> (65)
C16H14O4

>  <MolWeight> (65)
270.27996

>  <Cat> (65)
S3867

>  <Name> (65)
Cardamoni

>  <Synonyms> (65)
Alpinetin chalcone, cardamomin

>  <Target> (65)
NF-¦ÊB,Calcium Channel

>  <Form> (65)
free base

>  <CAS> (65)
 19309-14-9

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/05211909582D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    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
   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 14  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
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 27 29  1  6  0  0  0
 29 30  1  0  0  0  0
 26 31  1  1  0  0  0
 25 32  1  6  0  0  0
 24 33  1  1  0  0  0
M  END
>  <Mol_ID> (66)
1912

>  <Formula> (66)
C21H20O12

>  <MolWeight> (66)
464.3763

>  <Cat> (66)
S3842

>  <Name> (66)
Isoquercitrin

>  <Synonyms> (66)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (66)
Wnt/¦Â-catenin

>  <Form> (66)
free base

>  <CAS> (66)
482-35-9

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

$$$$
S3874 Curcumenol.cdx
csChFnd80/05211909582D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.7647    2.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7647    4.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4640    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6693    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963    2.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6968    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    4.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    3.6623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3070    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    3.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    6.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (67)
1965

>  <Formula> (67)
C15H22O2

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234.33398

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Curcumenol

>  <Synonyms> (67)
N/A

>  <Target> (67)
NF-¦ÊB

>  <Form> (67)
free base

>  <CAS> (67)
19431-84-6

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

$$$$
Tenovin-1.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (68)
2278

>  <Formula> (68)
C20H23N3O2S

>  <MolWeight> (68)
369.48052

>  <Cat> (68)
S8000

>  <Name> (68)
Tenovin-1

>  <Synonyms> (68)
N/A

>  <Target> (68)
p53

>  <Form> (68)
Free Base

>  <CAS> (68)
380315-80-0

>  <URL> (68)
http://www.selleckchem.com/products/tenovin-1.html

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/05211909582D

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>  <Mol_ID> (69)
2303

>  <Formula> (69)
C26H21N3O3

>  <MolWeight> (69)
423.46324

>  <Cat> (69)
S7086

>  <Name> (69)
IWR-1-endo

>  <Synonyms> (69)
IWR-1

>  <Target> (69)
Wnt/beta-catenin

>  <Form> (69)
Free Base

>  <CAS> (69)
1127442-82-3

>  <URL> (69)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/05211909582D

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>  <Mol_ID> (70)
2304

>  <Formula> (70)
C25H32N4O7S

>  <MolWeight> (70)
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S7049

>  <Name> (70)
Oprozomib (ONX 0912)

>  <Synonyms> (70)
N/A

>  <Target> (70)
Proteasome

>  <Form> (70)
Free Base

>  <CAS> (70)
935888-69-0

>  <URL> (70)
http://www.selleckchem.com/products/oprozomib-onx-0912.html

$$$$
GDC-0349.cdx
csChFnd80/05211909582D

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1118807-13-8

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30675-13-9

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

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314245-33-5

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668467-91-2

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1243243-89-1

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177355-84-9

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Bardoxolone Methyl

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I¦ÊB/IKK

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218600-53-4

>  <URL> (85)
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1345675-02-6

>  <URL> (86)
http://www.selleckchem.com/products/etp-46464.html

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mTOR

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Free Base

>  <CAS> (87)
1251156-08-7

>  <URL> (87)
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445430-58-0

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p97

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1418013-75-8

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http://www.selleckchem.com/products/nms-873.html

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NF-¦ÊB

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104594-70-9

>  <URL> (91)
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1243244-14-5

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1427782-89-5

>  <URL> (93)
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Wnt/beta-catenin

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Free Base

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686770-61-6

>  <URL> (98)
http://www.selleckchem.com/products/iwp-2.html

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N/A

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Proteasome

>  <Form> (99)
Free Base

>  <CAS> (99)
1401223-22-0

>  <URL> (99)
http://www.selleckchem.com/products/pi-1840.html

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108409-83-2

>  <URL> (100)
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N/A

>  <Target> (101)
mTOR

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Free Base

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221877-54-9

>  <URL> (101)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

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>  <Target> (102)
I¦ÊB/IKK

>  <Form> (102)
Free Base

>  <CAS> (102)
1421227-53-3

>  <URL> (102)
http://www.selleckchem.com/products/ws6.html

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Bay 11-7083

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I¦ÊB/IKK

>  <Form> (103)
Free Base

>  <CAS> (103)
196309-76-9

>  <URL> (103)
http://www.selleckchem.com/products/bay-11-7085.html

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I¦ÊB/IKK

>  <Form> (104)
Free Base

>  <CAS> (104)
1421227-52-2

>  <URL> (104)
http://www.selleckchem.com/products/ws3.html

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946518-60-1

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http://www.selleckchem.com/products/ly2409881.html

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mTOR

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Free Base

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326914-06-1

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http://www.selleckchem.com/products/mhy1485.html

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1474034-05-3

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>  <URL> (108)
http://www.selleckchem.com/products/vr23.html

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934493-76-2

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431898-65-6

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$$$$
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Wnt agonist 1 HCl.cdx
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M  END
>  <Mol_ID> (113)
3105

>  <Formula> (113)
C19H19ClN4O3

>  <MolWeight> (113)
386.83216

>  <Cat> (113)
S8178

>  <Name> (113)
Wnt agonist 1

>  <Synonyms> (113)
N/A

>  <Target> (113)
Wnt/beta-catenin

>  <Form> (113)
Hydrochloride

>  <CAS> (113)
853220-52-7(free-base)

>  <URL> (113)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
YAP-TEAD Inhibitor 1 (Peptide 17).cdx
csChFnd80/05211909582D

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M  END
>  <Mol_ID> (114)
3139

>  <Formula> (114)
C93H144ClN23O21S2

>  <MolWeight> (114)
2019.86296

>  <Cat> (114)
S8164

>  <Name> (114)
YAP-TEAD Inhibitor 1 (Peptide 17)

>  <Synonyms> (114)
N/A

>  <Target> (114)
Others

>  <Form> (114)
Free Base

>  <URL> (114)
http://www.selleckchem.com/products/yap-tead-inhibitor-1-peptide-17.html

$$$$
PRI-724.cdx
csChFnd80/05211909582D

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M  END
>  <Mol_ID> (115)
3143

>  <Formula> (115)
C33H32N4O4

>  <MolWeight> (115)
548.63158

>  <Cat> (115)
S8262

>  <Name> (115)
PRI-724

>  <Synonyms> (115)
N/A

>  <Target> (115)
Wnt/beta-catenin

>  <Form> (115)
Free Base

>  <CAS> (115)
847591-62-2

>  <URL> (115)
http://www.selleckchem.com/products/pri-724.html

$$$$
MRT68921.cdx
csChFnd80/05211909582D

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A   35
xHCl
M  END
>  <Mol_ID> (116)
3149

>  <Formula> (116)
C26H36N6O2R

>  <MolWeight> (116)
464.60304

>  <Cat> (116)
S7948

>  <Name> (116)
MRT67307 HCl

>  <Synonyms> (116)
N/A

>  <Target> (116)
I¦ÊB/IKK

>  <Form> (116)
hydrochloride

>  <CAS> (116)
1190378-57-4 (free-base)

>  <URL> (116)
http://www.selleckchem.com/products/mrt67307.html

$$$$
IQ-1.cdx
csChFnd80/05211909582D

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M  END
>  <Mol_ID> (117)
3192

>  <Formula> (117)
C21H22N4O2

>  <MolWeight> (117)
362.42498

>  <Cat> (117)
S8248

>  <Name> (117)
IQ-1

>  <Synonyms> (117)
N/A

>  <Target> (117)
Wnt/beta-catenin

>  <Form> (117)
Free Base

>  <CAS> (117)
331001-62-8

>  <URL> (117)
http://www.selleckchem.com/products/iq-1.html

$$$$
LY3023414.cdx
csChFnd80/05211909582D

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 27 29  1  1  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (118)
3211

>  <Formula> (118)
C23H26N4O3

>  <MolWeight> (118)
406.47754

>  <Cat> (118)
S8322

>  <Name> (118)
LY3023414

>  <Synonyms> (118)
GTPL8918

>  <Target> (118)
Akt

>  <Form> (118)
Free Base

>  <CAS> (118)
1386874-06-1

>  <URL> (118)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Epoxomicin.cdx
csChFnd80/05211909582D

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 13 14  2  0  0  0  0
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 16 13  1  1  0  0  0
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 29 30  1  0  0  0  0
 30 28  1  6  0  0  0
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 31 34  1  6  0  0  0
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 29 37  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (119)
3218

>  <Formula> (119)
C28H50N4O7

>  <MolWeight> (119)
554.7192

>  <Cat> (119)
S7038

>  <Name> (119)
Epoxomicin (BU-4061T)

>  <Synonyms> (119)
N/A

>  <Target> (119)
Proteasome

>  <Form> (119)
Free Base

>  <CAS> (119)
134381-21-8

>  <URL> (119)
http://www.selleckchem.com/products/epoxomicin-bu-4061t.html

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/05211909582D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (120)
3233

>  <Formula> (120)
C8H12O4

>  <MolWeight> (120)
172.17848

>  <Cat> (120)
S4712

>  <Name> (120)
Diethylmaleate

>  <Target> (120)
Others

>  <Form> (120)
Free Base

>  <CAS> (120)
141-05-9

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

$$$$
KYA1797K.cdx
csChFnd80/05211909582D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.5201    6.3914    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7675    7.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5485    8.4098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1657    8.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5384    9.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8907    9.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8807   10.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2330    9.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (121)
3239

>  <Formula> (121)
C17H11KN2O6S2

>  <MolWeight> (121)
442.50734

>  <Cat> (121)
S8327

>  <Name> (121)
KYA1797K

>  <Synonyms> (121)
N/A

>  <Target> (121)
Wnt/beta-catenin

>  <Form> (121)
potassium salt

>  <CAS> (121)
1956356-56-1

>  <URL> (121)
http://www.selleckchem.com/products/kya1797k.html

$$$$
SKL2001.cdx
csChFnd80/05211909582D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6646    0.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9435    1.4548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1560    0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (122)
3269

>  <Formula> (122)
C14H14N4O3

>  <MolWeight> (122)
286.28596

>  <Cat> (122)
S8320

>  <Name> (122)
SKL2001

>  <Synonyms> (122)
N/A

>  <Target> (122)
Wnt/beta-catenin

>  <Form> (122)
Free Base

>  <CAS> (122)
909089-13-0

>  <URL> (122)
http://www.selleckchem.com/products/skl2001.html

$$$$
GDC-0084.cdx
csChFnd80/05211909582D

 28 32  0  0  0  0  0  0  0  0999 V2000
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1228013-15-7

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mTOR

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1429639-50-8

>  <URL> (125)
http://www.selleckchem.com/products/cz415.html

$$$$
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>  <Form> (126)
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>  <URL> (126)
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$$$$
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>  <Mol_ID> (127)
3317

>  <Formula> (127)
C42H70O11

>  <MolWeight> (127)
750.9986

>  <Cat> (127)
S8129

>  <Name> (127)
Salinomycin (from Streptomyces albus)

>  <Synonyms> (127)
Coxistac, Bio-cox

>  <Target> (127)
Others

>  <Form> (127)
Free Base

>  <CAS> (127)
53003-10-4

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

$$$$
GSK583.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (128)
3326

>  <Formula> (128)
C20H19FN4O2S

>  <MolWeight> (128)
398.4538632

>  <Cat> (128)
S8261

>  <Name> (128)
GSK583

>  <Synonyms> (128)
N/A

>  <Target> (128)
NF-¦ÊB

>  <Form> (128)
Free Base

>  <CAS> (128)
1346547-00-9

>  <URL> (128)
http://www.selleckchem.com/products/gsk583.html

$$$$
PNU-74654.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (129)
3340

>  <Formula> (129)
C19H16N2O3

>  <MolWeight> (129)
320.34194

>  <Cat> (129)
S8429

>  <Name> (129)
PNU-74654

>  <Synonyms> (129)
N/A

>  <Target> (129)
Wnt/beta-catenin

>  <Form> (129)
Free Base

>  <CAS> (129)
113906-27-7

>  <URL> (129)
http://www.selleckchem.com/products/pnu-74654.html

$$$$
CC-122.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (130)
3349

>  <Formula> (130)
C14H14N4O3

>  <MolWeight> (130)
286.28596

>  <Cat> (130)
S7892

>  <Name> (130)
Avadomide(CC-122)

>  <Synonyms> (130)
N/A

>  <Target> (130)
E3 Ligase

>  <Form> (130)
Free Base

>  <CAS> (130)
1015474-32-4

>  <URL> (130)
http://www.selleckchem.com/products/cc-122.html

$$$$
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csChFnd80/05211909582D

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>  <Mol_ID> (131)
3359

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C19H15N3O2

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Wnt/beta-catenin

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Free Base

>  <CAS> (131)
125314-13-8

>  <URL> (131)
http://www.selleckchem.com/products/cp21r7-cp21.html

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LF3

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N/A

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Wnt/beta-catenin

>  <Form> (132)
Free Base

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664969-54-4

>  <URL> (132)
http://www.selleckchem.com/products/lf3.html

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VLX1570

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DUB

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free base

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1431280-51-1

>  <URL> (133)
http://www.selleckchem.com/products/vlx1570.html

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3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

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FKBP1A

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free base

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890405-51-3

>  <URL> (134)
http://www.selleckchem.com/products/3bdo.html

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1622848-92-3

>  <URL> (135)
http://www.selleckchem.com/products/gsk2982772.html

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free base

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1243245-18-2

>  <URL> (137)
http://www.selleckchem.com/products/gnf-6231.html

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Wnt/¦Â-catenin

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free base

>  <CAS> (138)
901751-47-1

>  <URL> (138)
http://www.selleckchem.com/products/icrt3.html

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hydrochloride

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1197397-89-9

>  <URL> (139)
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>  <Mol_ID> (140)
3567

>  <Formula> (140)
C23H27N3O5S2

>  <MolWeight> (140)
489.60758

>  <Cat> (140)
S8661

>  <Name> (140)
CA3

>  <Synonyms> (140)
N/A

>  <Target> (140)
YAP/TEAD interaction

>  <Form> (140)
free base

>  <CAS> (140)
300802-28-2

>  <URL> (140)
http://www.selleckchem.com/products/ca3.html

$$$$
2-D08.cdx
csChFnd80/05211909582D

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M  END
>  <Mol_ID> (141)
3625

>  <Formula> (141)
C15H10O5

>  <MolWeight> (141)
270.2369

>  <Cat> (141)
S8696

>  <Name> (141)
2-D08
2-D08

>  <Synonyms> (141)
2',3',4'-trihydroxy flavone

>  <Target> (141)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (141)
free base

>  <CAS> (141)
144707-18-6

>  <URL> (141)
http://selleckchem.com/products/2-d08.html

$$$$
IWP-O1.cdx
csChFnd80/05211909582D

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M  END
>  <Mol_ID> (142)
3658

>  <Formula> (142)
C26H20N6O

>  <MolWeight> (142)
432.4766

>  <Cat> (142)
S8645

>  <Name> (142)
IWP-O1

>  <Synonyms> (142)
N/A

>  <Target> (142)
Wnt/beta-catenin

>  <Form> (142)
free base

>  <CAS> (142)
2074607-48-8

>  <URL> (142)
http://selleckchem.com/products/iwp-O1.html

$$$$
S5315  PRT4165.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (143)
3766

>  <Formula> (143)
C15H9NO2

>  <MolWeight> (143)
235.23746

>  <Cat> (143)
S5315

>  <Name> (143)
PRT4165

>  <Synonyms> (143)
N/A

>  <Target> (143)
E3 Ligase ,BMI-1

>  <Form> (143)
free base

>  <CAS> (143)
31083-55-3

>  <URL> (143)
http://selleckchem.com/products/prt4165.html

$$$$
GSK'963.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (144)
3841

>  <Formula> (144)
C14H18N2O

>  <MolWeight> (144)
230.30552

>  <Cat> (144)
S8642

>  <Name> (144)
GSK'963

>  <Synonyms> (144)
N/A

>  <Target> (144)
NF-¦ÊB,TNF-alpha

>  <Form> (144)
free base

>  <CAS> (144)
2049868-46-2

>  <URL> (144)
http://selleckchem.com/products/gsk963.html

$$$$
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csChFnd80/05211909582D

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M  END
>  <Mol_ID> (145)
4183

>  <Formula> (145)
C20H22O6

>  <MolWeight> (145)
358.38508

>  <Cat> (145)
S9416

>  <Name> (145)
Triptonide

>  <Form> (145)
free base

>  <CAS> (145)
38647-11-9

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/05211909582D

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M  END
>  <Mol_ID> (146)
4198

>  <Formula> (146)
C22H34O3

>  <MolWeight> (146)
346.50356

>  <Cat> (146)
S9432

>  <Name> (146)
Ginkgolic Acid

>  <Form> (146)
free base

>  <CAS> (146)
22910-60-7

$$$$
S9106 Eleutheroside E.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (147)
4292

>  <Formula> (147)
C34H46O18

>  <MolWeight> (147)
742.71824

>  <Cat> (147)
S9106

>  <Name> (147)
Eleutheroside E

>  <Form> (147)
free base

>  <CAS> (147)
39432-56-9

$$$$
S9042 Wedelolactone.cdx
csChFnd80/05211909582D

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>  <Mol_ID> (148)
4598

>  <Formula> (148)
C16H10O7

>  <MolWeight> (148)
314.2464

>  <Cat> (148)
S9042

>  <Name> (148)
Wedelolactone

>  <Form> (148)
free base

>  <CAS> (148)
524-12-9

$$$$

csChFnd80/05211909582D

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>  <Mol_ID> (149)
4833

>  <Formula> (149)
C18H19F3N2O4S2

>  <MolWeight> (149)
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>  <Cat> (149)
S5815

>  <Name> (149)
WAY-316606

>  <Synonyms> (149)
N/A

>  <Target> (149)
Wnt/beta-catenin

>  <Form> (149)
Free Base

>  <CAS> (149)
915759-45-4

>  <URL> (149)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/05211909582D

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M  END
>  <Mol_ID> (150)
4859

>  <Formula> (150)
C11H14ClNO3

>  <MolWeight> (150)
243.68676

>  <Cat> (150)
S5841

>  <Name> (150)
DKM 2-93

>  <Synonyms> (150)
N/A

>  <Target> (150)
E1 Activating

>  <Form> (150)
Free Base

>  <CAS> (150)
65836-72-8

>  <URL> (150)
http://www.selleckchem.com/products/dkm2-93.html

$$$$

csChFnd80/05211909582D

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>  <Mol_ID> (151)
4933

>  <Formula> (151)
C17H20F3N7O2

>  <MolWeight> (151)
411.3816096

>  <Cat> (151)
S8738

>  <Name> (151)
Bimiralisib (PQR309)

>  <Synonyms> (151)
N/A

>  <Target> (151)
PI3K

>  <Form> (151)
Free Base

>  <CAS> (151)
1225037-39-7

>  <URL> (151)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/05211909582D

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M  END
>  <Mol_ID> (152)
4944

>  <Formula> (152)
C29H24FN7O

>  <MolWeight> (152)
505.5455632

>  <Cat> (152)
S8761

>  <Name> (152)
Adavivint (SM04690)

>  <Synonyms> (152)
N/A

>  <Target> (152)
Wnt/beta-catenin

>  <Form> (152)
Free Base

>  <CAS> (152)
1467093-03-3

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

$$$$

csChFnd80/05211909582D

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>  <Mol_ID> (153)
5290

>  <Formula> (153)
C25H27N3O5

>  <MolWeight> (153)
449.49898

>  <Cat> (153)
S8760

>  <Name> (153)
Iberdomide(CC220)

>  <Synonyms> (153)
N/A

>  <Target> (153)
Immunology & Inflamm

>  <Form> (153)
free base

>  <CAS> (153)
1323403-33-3

>  <URL> (153)
http://www.selleck.cn/products/iberdomide.html

$$$$
