S7448.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (1)
31

>  <Formula> (1)
C5H6ClNO5RRu

>  <MolWeight> (1)
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>  <Item Name> (1)
CORM-3

>  <Catalog Number> (1)
S7448

>  <Synonyms> (1)
N/A

>  <Target> (1)
Immunology & Inflammation related

>  <Form> (1)
Complex

>  <URL> (1)
http://www.selleckchem.com/products/corm-3.html

>  <CAS Number> (1)
475473-26-8

$$$$
RAPAMYCIN.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (2)
32

>  <Formula> (2)
C51H79NO13

>  <MolWeight> (2)
914.17186

>  <Item Name> (2)
Rapamycin (Sirolimus)

>  <Catalog Number> (2)
S1039

>  <Synonyms> (2)
N/A 

>  <Target> (2)
mTOR 

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
53123-88-9

$$$$
untitled.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (3)
48

>  <Formula> (3)
C28H30N6OS

>  <MolWeight> (3)
498.6424

>  <Item Name> (3)
Masitinib (AB1010)

>  <Catalog Number> (3)
S1064

>  <Synonyms> (3)
N/A 

>  <Target> (3)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (3)
790299-79-5

$$$$
Everolimus.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (4)
87

>  <Formula> (4)
C53H83NO14

>  <MolWeight> (4)
958.22442

>  <Item Name> (4)
Everolimus (RAD001)

>  <Catalog Number> (4)
S1120

>  <Synonyms> (4)
Certican, Zortress, Afinitor

>  <Target> (4)
mTOR

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/Everolimus(RAD001).html

>  <CAS Number> (4)
159351-69-6

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (5)
151

>  <Formula> (5)
C20H22N8O5

>  <MolWeight> (5)
454.43928

>  <Item Name> (5)
Abitrexate (Methotrexate)

>  <Catalog Number> (5)
S1210

>  <Synonyms> (5)
Methotrexate, Rheumatrex, Trexall

>  <Target> (5)
DHFR

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/Abitrexate.html

>  <CAS Number> (5)
59-05-2

$$$$
Imiquimod.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (6)
152

>  <Formula> (6)
C14H16N4

>  <MolWeight> (6)
240.30364

>  <Item Name> (6)
Imiquimod

>  <Catalog Number> (6)
S1211

>  <Synonyms> (6)
Aldara

>  <Target> (6)
Immunology & Inflammation related

>  <Form> (6)
Free Base

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

>  <CAS Number> (6)
99011-02-6

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/07161817412D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
159

>  <Formula> (7)
C11H17ClN4O4

>  <MolWeight> (7)
304.73008

>  <Item Name> (7)
Dexrazoxane Hydrochloride

>  <Catalog Number> (7)
S1222

>  <Synonyms> (7)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (7)
Others

>  <Form> (7)
Hydrochloride

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

>  <CAS Number> (7)
149003-01-0

$$$$
leflunomide.cdx
csChFnd80/07161817412D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (8)
173

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C12H9F3N2O2

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Leflunomide

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S1247

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Arava

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Dehydrogenase

>  <Form> (8)
Free Base

>  <URL> (8)
http://www.selleckchem.com/products/Leflunomide.html

>  <CAS Number> (8)
75706-12-6

$$$$
nepafenac.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (9)
177

>  <Formula> (9)
C15H14N2O2

>  <MolWeight> (9)
254.28386

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Nepafenac

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S1255

>  <Synonyms> (9)
Nevanac

>  <Target> (9)
COX

>  <Form> (9)
Free Base

>  <URL> (9)
http://www.selleckchem.com/products/Nepafenac.html

>  <CAS Number> (9)
78281-72-8

$$$$
Celecoxib.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (10)
184

>  <Formula> (10)
C17H14F3N3O2S

>  <MolWeight> (10)
381.3721696

>  <Item Name> (10)
Celecoxib

>  <Catalog Number> (10)
S1261

>  <Synonyms> (10)
Celebrex, Celebra 

>  <Target> (10)
COX

>  <Form> (10)
Free Base

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

>  <CAS Number> (10)
169590-42-5

$$$$
Adapalene.cdx
csChFnd80/07161817412D

 31 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (11)
190

>  <Formula> (11)
C28H28O3

>  <MolWeight> (11)
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>  <Item Name> (11)
Adapalene

>  <Catalog Number> (11)
S1276

>  <Synonyms> (11)
Differin

>  <Target> (11)
Retinoid Receptor

>  <Form> (11)
Free Base

>  <URL> (11)
http://www.selleckchem.com/products/Adapalene.html

>  <CAS Number> (11)
106685-40-9

$$$$
Budesonide.cdx
csChFnd80/07161817412D

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 28 31  2  0  0  0  0
 26 32  1  6  0  0  0
 26 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (12)
197

>  <Formula> (12)
C25H34O6

>  <MolWeight> (12)
430.53386

>  <Item Name> (12)
Budesonide

>  <Catalog Number> (12)
S1286

>  <Synonyms> (12)
N/A

>  <Target> (12)
Glucocorticoid Receptor

>  <Form> (12)
Free Base

>  <URL> (12)
http://www.selleckchem.com/products/Budesonide.html

>  <CAS Number> (12)
51333-22-3

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/07161817412D

 29 29  0  0  0  0  0  0  0  0999 V2000
    9.6727    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   16.9347    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1429    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7676    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2118    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
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 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
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (13)
201

>  <Formula> (13)
C21H27Cl3N2O3

>  <MolWeight> (13)
461.80968

>  <Item Name> (13)
Cetirizine Dihydrochloride

>  <Catalog Number> (13)
S1291

>  <Synonyms> (13)
Zyrtec, Reactine

>  <Target> (13)
Histamine Receptor

>  <Form> (13)
Dihydrochloride

>  <URL> (13)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (13)
83881-52-1

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/07161817412D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8287    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9843    4.0760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (14)
206

>  <Formula> (14)
C17H22ClNO

>  <MolWeight> (14)
291.81568

>  <Item Name> (14)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (14)
S1866

>  <Synonyms> (14)
Dimedrol

>  <Target> (14)
Histamine Receptor

>  <Form> (14)
Hydrochloride

>  <URL> (14)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (14)
147-24-0 

$$$$
Antipyrine.cdx
csChFnd80/07161817412D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.1449    1.3981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7961    4.7603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  1 14  1  0  0  0  0
M  END
>  <Mol_ID> (15)
209

>  <Formula> (15)
C11H12N2O

>  <MolWeight> (15)
188.22578

>  <Item Name> (15)
Antipyrine

>  <Catalog Number> (15)
S3173

>  <Synonyms> (15)
N/A 

>  <Target> (15)
COX

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
60-80-0

$$$$
Deflazacort.cdx
csChFnd80/07161817412D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
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  5 23  1  1  0  0  0
 14 24  1  1  0  0  0
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 12 26  1  1  0  0  0
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 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (16)
211

>  <Formula> (16)
C25H31NO6

>  <MolWeight> (16)
441.51674

>  <Item Name> (16)
Deflazacort (Calcort)

>  <Catalog Number> (16)
S1888

>  <Synonyms> (16)
Cortax, Decortil, Deflanil

>  <Target> (16)
Glucocorticoid Receptor

>  <Form> (16)
Free Base

>  <URL> (16)
http://www.selleckchem.com/products/Deflazacor.html

>  <CAS Number> (16)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/07161817412D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
212

>  <Formula> (17)
C12H21N5O2S2

>  <MolWeight> (17)
331.45744

>  <Item Name> (17)
Nizatidine

>  <Catalog Number> (17)
S1890

>  <Synonyms> (17)
Axid

>  <Target> (17)
Histamine Receptor

>  <Form> (17)
Free Base

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

>  <CAS Number> (17)
76963-41-2

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/07161817412D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (18)
234

>  <Formula> (18)
C21H27FO6

>  <MolWeight> (18)
394.4338832

>  <Item Name> (18)
Triamcinolone (Aristocort)

>  <Catalog Number> (18)
S1933

>  <Synonyms> (18)
N/A

>  <Target> (18)
Glucocorticoid Receptor

>  <Form> (18)
Free Base

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

>  <CAS Number> (18)
124-94-7

$$$$
Ifosfamide.cdx
csChFnd80/07161817412D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (19)
244

>  <Formula> (19)
C7H15Cl2N2O2P

>  <MolWeight> (19)
261.085961

>  <Item Name> (19)
Ifosfamide

>  <Catalog Number> (19)
S1302

>  <Synonyms> (19)
Mitoxana, Ifex

>  <Target> (19)
DNA/RNA Synthesis

>  <Form> (19)
Free Base

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

>  <CAS Number> (19)
3778-73-2

$$$$
Mercaptopurine.cdx
csChFnd80/07161817412D

 10 11  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (20)
246

>  <Formula> (20)
C5H4N4S

>  <MolWeight> (20)
152.17706

>  <Item Name> (20)
Mercaptopurine (6-MP)

>  <Catalog Number> (20)
S1305

>  <Synonyms> (20)
N/A

>  <Target> (20)
DNA/RNA Synthesis 

>  <Form> (20)
Free Base

>  <URL> (20)
http://www.selleckchem.com/products/Mercaptopurine.html

>  <CAS Number> (20)
50-44-2

$$$$
Dexamethasone.cdx
csChFnd80/07161817412D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (21)
254

>  <Formula> (21)
C22H29FO5

>  <MolWeight> (21)
392.4610632

>  <Item Name> (21)
Dexamethasone

>  <Catalog Number> (21)
S1322

>  <Synonyms> (21)
Decadron

>  <Target> (21)
IL Receptor

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/Dexamethasone.html

>  <CAS Number> (21)
50-02-2

$$$$
Etodolac.cdx
csChFnd80/07161817412D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (22)
257

>  <Formula> (22)
C17H21NO3

>  <MolWeight> (22)
287.35354

>  <Item Name> (22)
Etodolac (Lodine)

>  <Catalog Number> (22)
S1328

>  <Synonyms> (22)
Lodine, Lodine XL

>  <Target> (22)
COX
COX

>  <Form> (22)
Free Base

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

>  <CAS Number> (22)
41340-25-4

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/07161817412D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 13  7  1  0  0  0  0
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 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
274

>  <Formula> (23)
C22H23ClN2O2

>  <MolWeight> (23)
382.88322

>  <Item Name> (23)
Loratadine

>  <Catalog Number> (23)
S1358

>  <Synonyms> (23)
Alavert, Claritin

>  <Target> (23)
Histamine Receptor

>  <Form> (23)
Free Base

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

>  <CAS Number> (23)
79794-75-5

$$$$
Isotretinoin.cdx
csChFnd80/07161817412D

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 15  2  0  0  0  0
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M  END
>  <Mol_ID> (24)
288

>  <Formula> (24)
C20H28O2

>  <MolWeight> (24)
300.43512

>  <Item Name> (24)
Isotretinoin

>  <Catalog Number> (24)
S1379

>  <Synonyms> (24)
Accutane, Amnesteem, Claravis, Sotret

>  <Target> (24)
Hydroxylase

>  <Form> (24)
Free Base

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

>  <CAS Number> (24)
4759-48-2

$$$$
Mianserin hydrochloride.cdx
csChFnd80/07161817412D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  3  1  0  0  0  0
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 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (25)
291

>  <Formula> (25)
C18H21ClN2

>  <MolWeight> (25)
300.82574

>  <Item Name> (25)
Mianserin HCl

>  <Catalog Number> (25)
S1382

>  <Synonyms> (25)
ORG GB-94 HCl

>  <Target> (25)
Histamine Receptor(HT receptor)

>  <Form> (25)
Hydrochloride

>  <URL> (25)
http://www.selleckchem.com/products/Mianserin-hydrochloride.html

>  <CAS Number> (25)
21535-47-7

$$$$
Mizoribine.cdx
csChFnd80/07161817412D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    0.6334    2.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  6  1  0  0  0  0
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M  END
>  <Mol_ID> (26)
293

>  <Formula> (26)
C9H13N3O6

>  <MolWeight> (26)
259.21602

>  <Item Name> (26)
Mizoribine (Bredinin)

>  <Catalog Number> (26)
S1384

>  <Synonyms> (26)
HE 69

>  <Target> (26)
DNA/RNA Synthesis

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/Mizoribine.html

>  <CAS Number> (26)
50924-49-7

$$$$
bimatoprost.cdx
csChFnd80/07161817412D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (27)
310

>  <Formula> (27)
C25H37NO4

>  <MolWeight> (27)
415.56558

>  <Item Name> (27)
Bimatoprost

>  <Catalog Number> (27)
S1407

>  <Synonyms> (27)
Lumigan

>  <Target> (27)
Immunology & Inflammation related

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/Bimatoprost.html

>  <CAS Number> (27)
155206-00-1

$$$$
Tranilast.cdx
csChFnd80/07161817412D

 24 25  0  0  0  0  0  0  0  0999 V2000
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Tranilast (SB 252218)

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S1439

>  <Synonyms> (28)
Rizaben, MK 341, Tranpro

>  <Target> (28)
Immunology & Inflammation related

>  <Form> (28)
Free Base

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

>  <CAS Number> (28)
53902-12-8
53902-12-8

$$$$
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csChFnd80/07161817412D

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C11H12N2O2S

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Zileuton

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S1443

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ZYFLO

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Lipoxygenase

>  <Form> (29)
Free Base

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

>  <CAS Number> (29)
111406-87-2

$$$$
LY2228820.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (30)
370

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C26H37FN6O6S2

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LY2228820

>  <Catalog Number> (30)
S1494

>  <Synonyms> (30)
N/A

>  <Target> (30)
p38 MAPK

>  <Form> (30)
Dimesylate

>  <URL> (30)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (30)
862507-23-1

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/07161817412D

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373

>  <Formula> (31)
C23H31NO7

>  <MolWeight> (31)
433.49474

>  <Item Name> (31)
Mycophenolate mofetil (CellCept)

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S1501

>  <Synonyms> (31)
CellCept, RS 61443, TM-MMF

>  <Target> (31)
Dehydrogenase

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (31)
128794-94-5

$$$$
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   10.2724    7.7195    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
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M  END
>  <Mol_ID> (32)
380

>  <Formula> (32)
C62H111N11O12

>  <MolWeight> (32)
1202.61124

>  <Item Name> (32)
Cyclosporine (Neoral)

>  <Catalog Number> (32)
S1514

>  <Synonyms> (32)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (32)
phosphatase

>  <Form> (32)
Free Base

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

>  <CAS Number> (32)
79217-60-0

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/07161817412D

 25 24  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
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
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 17 23  1  1  0  0  0
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M  END
>  <Mol_ID> (33)
383

>  <Formula> (33)
C19H32N2O4

>  <MolWeight> (33)
352.46838

>  <Item Name> (33)
Ibuprofen Lysine (NeoProfen)

>  <Catalog Number> (33)
S1518

>  <Synonyms> (33)
NeoProfen

>  <Target> (33)
COX

>  <Form> (33)
Lysine

>  <URL> (33)
http://www.selleckchem.com/products/Ibuprofen-Lysine(Motrin).html

>  <CAS Number> (33)
57469-77-9

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/07161817412D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
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  3 18  1  0  0  0  0
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M  END
>  <Mol_ID> (34)
398

>  <Formula> (34)
C16H22ClN3

>  <MolWeight> (34)
291.81898

>  <Item Name> (34)
Tripelennamine HCl

>  <Catalog Number> (34)
S3146

>  <Synonyms> (34)
N/A 

>  <Target> (34)
Histamine Receptor

>  <Form> (34)
HCl

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

>  <CAS Number> (34)
154-69-8

$$$$
Febuxostat.cdx
csChFnd80/07161817412D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (35)
404

>  <Formula> (35)
C16H16N2O3S

>  <MolWeight> (35)
316.37484

>  <Item Name> (35)
Febuxostat (Uloric)

>  <Catalog Number> (35)
S1547

>  <Synonyms> (35)
Adenuric

>  <Target> (35)
Others

>  <Form> (35)
Free Base

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

>  <CAS Number> (35)
144060-53-7

$$$$
Azelastine hydrochloride.cdx
csChFnd80/07161817412D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3424    9.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9560    9.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9393    8.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4446    8.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9056    0.9406    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 26 12  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (36)
408

>  <Formula> (36)
C22H25Cl2N3O

>  <MolWeight> (36)
418.3594

>  <Item Name> (36)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (36)
S2552 

>  <Synonyms> (36)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (36)
Histamine Receptor

>  <Form> (36)
Hydrochloride

>  <URL> (36)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (36)
79307-93-0

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/07161817412D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   10.1695    2.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (37)
420

>  <Formula> (37)
C13H11N3O4

>  <MolWeight> (37)
273.24414

>  <Item Name> (37)
Pomalidomide

>  <Catalog Number> (37)
S1567

>  <Synonyms> (37)
CC-4047

>  <Target> (37)
TNF-alpha, COX

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

>  <CAS Number> (37)
19171-19-8

$$$$
AVAGE (tazarotene).cdx
csChFnd80/07161817412D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6808    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
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 12 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  3 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (38)
422

>  <Formula> (38)
C21H21NO2S

>  <MolWeight> (38)
351.46194

>  <Item Name> (38)
Tazarotene (Avage)

>  <Catalog Number> (38)
S1569

>  <Synonyms> (38)
Tazorac, Avage, Zora

>  <Target> (38)
Retinoid Receptor

>  <Form> (38)
Free Base

>  <URL> (38)
http://www.selleckchem.com/products/Tazarotene(Avage).html

>  <CAS Number> (38)
118292-40-3

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/07161817412D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3036    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9367    8.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 13 14  1  0  0  0  0
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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (39)
427

>  <Formula> (39)
C31H37N5O3

>  <MolWeight> (39)
527.65718

>  <Item Name> (39)
BIRB 796 (Doramapimod)

>  <Catalog Number> (39)
S1574

>  <Synonyms> (39)
N/A

>  <Target> (39)
p38 MAPK

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (39)
285983-48-4

$$$$
FERNISONE (prednisone).cdx
csChFnd80/07161817412D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   11.0225    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    6.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2308    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 12 24  1  1  0  0  0
 17 25  1  1  0  0  0
 17 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (40)
453

>  <Formula> (40)
C21H26O5

>  <MolWeight> (40)
358.42814

>  <Item Name> (40)
Prednisone (Adasone)

>  <Catalog Number> (40)
S1622

>  <Synonyms> (40)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (40)
Glucocorticoid Receptor

>  <Form> (40)
Free Base

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

>  <CAS Number> (40)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/07161817412D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (41)
454

>  <Formula> (41)
C5H9NO3S

>  <MolWeight> (41)
163.19486

>  <Item Name> (41)
Acetylcysteine

>  <Catalog Number> (41)
S1623

>  <Synonyms> (41)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (41)
AChR

>  <Form> (41)
Free Base

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

>  <CAS Number> (41)
616-91-1

$$$$
Naproxen sodium.cdx
csChFnd80/07161817412D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0976    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  6  0  0  0
M  END
>  <Mol_ID> (42)
457

>  <Formula> (42)
C14H13NaO3

>  <MolWeight> (42)
252.24099

>  <Item Name> (42)
Naproxen Sodium

>  <Catalog Number> (42)
S1626

>  <Synonyms> (42)
Anaprox, Naprelan 

>  <Target> (42)
COX

>  <Form> (42)
Sodium Salt

>  <URL> (42)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (42)
26159-34-2

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/07161817412D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
 17 28  1  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (43)
459

>  <Formula> (43)
C24H31FO6

>  <MolWeight> (43)
434.4977432

>  <Item Name> (43)
Triamcinolone Acetonide

>  <Catalog Number> (43)
S1628

>  <Synonyms> (43)
Azmacort

>  <Target> (43)
Glucocorticoid Receptor

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (43)
76-25-5 

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/07161817412D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  0  3  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  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  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (44)
462

>  <Formula> (44)
C5H4N4NaO+

>  <MolWeight> (44)
159.10123

>  <Item Name> (44)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (44)
S1631

>  <Synonyms> (44)
 Lopurin, Zyloprim, Aloprim

>  <Target> (44)
Others

>  <Form> (44)
Sodium Salt

>  <URL> (44)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (44)
17795-21-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/07161817412D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.3726    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3726    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5270    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7395    3.8571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    3.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    1.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    3.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    4.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998    5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4366    4.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8060    4.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2386    5.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3019    6.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9325    6.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9989    7.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300    8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6033    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5368    5.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0344    7.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3991    7.6982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.7514    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6991    8.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0991    6.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7413    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0936    7.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4560    8.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4660    9.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1137    9.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1272   10.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 36 37  1  0  0  0  0
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 39 40  2  0  0  0  0
 40 33  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (45)
463

>  <Formula> (45)
C31H33N3O6S

>  <MolWeight> (45)
575.67522

>  <Item Name> (45)
Zafirlukast (Accolate)

>  <Catalog Number> (45)
S1633

>  <Synonyms> (45)
Accolate, Accoleit, Vanticon

>  <Target> (45)
LTR

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (45)
107753-78-6

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/07161817412D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  5 11  1  0  0  0  0
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M  END
>  <Mol_ID> (46)
466

>  <Formula> (46)
C13H18O2

>  <MolWeight> (46)
206.28082

>  <Item Name> (46)
Ibuprofen (Advil)

>  <Catalog Number> (46)
S1638

>  <Synonyms> (46)
Brufen, Nurofen, Motrin 

>  <Target> (46)
COX

>  <Form> (46)
Free Base

>  <URL> (46)
http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (46)
15687-27-1

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/07161817412D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
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 14  8  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (47)
472

>  <Formula> (47)
C16H14O3

>  <MolWeight> (47)
254.28056

>  <Item Name> (47)
Ketoprofen (Actron)

>  <Catalog Number> (47)
S1645

>  <Synonyms> (47)
Orudis, Oruvail 

>  <Target> (47)
COX

>  <Form> (47)
Free Base

>  <URL> (47)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (47)
22071-15-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/07161817412D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.5403    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    3.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6947    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    6.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    1.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7874    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8801    1.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  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  6  1  0  0  0  0
  7 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  7  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  2  0  0  0  0
  4 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
M  END
>  <Mol_ID> (48)
482

>  <Formula> (48)
C19H20N2O2

>  <MolWeight> (48)
308.3743

>  <Item Name> (48)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (48)
S1654

>  <Synonyms> (48)
Bute, Butazolidin, Butatron 

>  <Target> (48)
COX

>  <Form> (48)
Free Base

>  <URL> (48)
http://www.selleckchem.com/products/Phenylbutazone(Butazolidin).html

>  <CAS Number> (48)
50-33-9

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/07161817412D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2782    5.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    6.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973    5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1503   10.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 14 27  1  1  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
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 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (49)
488

>  <Formula> (49)
C24H31ClO7

>  <MolWeight> (49)
466.95174

>  <Item Name> (49)
Loteprednol etabonate

>  <Catalog Number> (49)
S1669

>  <Synonyms> (49)
Alrex, Lotemax

>  <Target> (49)
Glucocorticoid Receptor

>  <Form> (49)
Free Base

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

>  <CAS Number> (49)
82034-46-6

$$$$
APRISO (mesalamine).cdx
csChFnd80/07161817412D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   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
    1.2082    0.0024    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
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (50)
495

>  <Formula> (50)
C7H7NO3

>  <MolWeight> (50)
153.13538

>  <Item Name> (50)
Mesalamine (Lialda)

>  <Catalog Number> (50)
S1681

>  <Synonyms> (50)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (50)
I¦ÊB/IKK

>  <Form> (50)
Free Base

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

>  <CAS Number> (50)
89-57-6

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/07161817412D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (51)
498

>  <Formula> (51)
C22H28O5

>  <MolWeight> (51)
372.45472

>  <Item Name> (51)
Betapar (Meprednisone)

>  <Catalog Number> (51)
S1689

>  <Synonyms> (51)
Betanisona

>  <Target> (51)
Glucocorticoid Receptor

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (51)
1247-42-3

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (52)
499

>  <Formula> (52)
C27H37FO6

>  <MolWeight> (52)
476.5774832

>  <Item Name> (52)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (52)
S1690

>  <Synonyms> (52)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (52)
Glucocorticoid Receptor

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (52)
2152-44-5 

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (53)
501

>  <Formula> (53)
C6H14O6S2

>  <MolWeight> (53)
246.30176

>  <Item Name> (53)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (53)
S1692

>  <Synonyms> (53)
Myleran, Busulfex

>  <Target> (53)
NULL

>  <Form> (53)
Free Base

>  <URL> (53)
http://www.selleckchem.com/products/Busulfan(Busulfex).html

>  <CAS Number> (53)
55-98-1

$$$$
DESOWEN (desonide).cdx
csChFnd80/07161817412D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (54)
506

>  <Formula> (54)
C24H32O6

>  <MolWeight> (54)
416.50728

>  <Item Name> (54)
Desonide

>  <Catalog Number> (54)
S1701

>  <Synonyms> (54)
Locapred, Topifug, Tridesilon

>  <Target> (54)
Glucocorticoid Receptor

>  <Form> (54)
Free Base

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

>  <CAS Number> (54)
638-94-8

$$$$
FELDENE (piroxicam).cdx
csChFnd80/07161817412D

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 15  9  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 15 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  2  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (55)
516

>  <Formula> (55)
C15H13N3O4S

>  <MolWeight> (55)
331.34642

>  <Item Name> (55)
Piroxicam (Feldene)

>  <Catalog Number> (55)
S1713

>  <Synonyms> (55)
Roxam

>  <Target> (55)
COX 

>  <Form> (55)
Free Base

>  <URL> (55)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (55)
36322-90-4

$$$$
IMURAN (azathioprine).cdx
csChFnd80/07161817412D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2157    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7950    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    7.2210    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4377    6.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    8.5904    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6467    2.9611    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  5  1  0  0  0  0
  6 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 11  1  0  0  0  0
 12 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (56)
521

>  <Formula> (56)
C9H7N7O2S

>  <MolWeight> (56)
277.26258

>  <Item Name> (56)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (56)
S1721

>  <Synonyms> (56)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (56)
Rho

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

>  <CAS Number> (56)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/07161817412D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    2.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9686    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9686    6.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2748    6.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7074    7.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7706    8.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4012    8.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6704    7.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0720    7.6982    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  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
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 17 24  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (57)
522

>  <Formula> (57)
C19H16ClNO4

>  <MolWeight> (57)
357.78764

>  <Item Name> (57)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (57)
S1723

>  <Synonyms> (57)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (57)
COX

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (57)
53-86-1

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/07161817412D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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  2  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 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
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 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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  7 27  1  6  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (58)
527

>  <Formula> (58)
C22H30O5

>  <MolWeight> (58)
374.4706

>  <Item Name> (58)
Methylprednisolone

>  <Catalog Number> (58)
S1733

>  <Synonyms> (58)
Medrol, Solu-Medrol, Medrone

>  <Target> (58)
Glucocorticoid Receptor

>  <Form> (58)
Free Base

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

>  <CAS Number> (58)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/07161817412D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2279    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7404    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0197    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    5.4023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    5.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (59)
528

>  <Formula> (59)
C14H13N3O4S2

>  <MolWeight> (59)
351.40072

>  <Item Name> (59)
Meloxicam (Mobic)

>  <Catalog Number> (59)
S1734

>  <Synonyms> (59)
Metacam, Parocin 

>  <Target> (59)
COX

>  <Form> (59)
Free Base

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

>  <CAS Number> (59)
71125-38-7

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/07161817412D

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9912    2.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3893    2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8910    3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030    4.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117    3.5905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9364    4.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    2.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    1.4905    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   14.3570    4.2905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9  3  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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>  <Mol_ID> (60)
557

>  <Formula> (60)
C13H23ClN4O3S

>  <MolWeight> (60)
350.86472

>  <Item Name> (60)
Ranitidine Hydrochloride

>  <Catalog Number> (60)
S1801

>  <Synonyms> (60)
AH19065

>  <Target> (60)
Histamine Receptor antagonist

>  <Form> (60)
Hydrochloride

>  <URL> (60)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (60)
66357-59-3

$$$$
cimetidine.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (61)
569

>  <Formula> (61)
C10H16N6S

>  <MolWeight> (61)
252.33924

>  <Item Name> (61)
Cimetidine (Tagamet)

>  <Catalog Number> (61)
S1845

>  <Synonyms> (61)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (61)
NULL

>  <Form> (61)
Free Base

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

>  <CAS Number> (61)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (62)
570

>  <Formula> (62)
C25H30ClNO5

>  <MolWeight> (62)
459.9624

>  <Item Name> (62)
Clemastine Fumarate

>  <Catalog Number> (62)
S1847

>  <Synonyms> (62)
Tavist, Agasten 

>  <Target> (62)
Histamine Receptor

>  <Form> (62)
Fumarate

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

>  <CAS Number> (62)
14976-57-9

$$$$
Levamisole Hydrochloride.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (63)
576

>  <Formula> (63)
C11H13ClN2S

>  <MolWeight> (63)
240.75232

>  <Item Name> (63)
(-)-Tetramisole 

>  <Catalog Number> (63)
S1939

>  <Synonyms> (63)
Ergamisol

>  <Target> (63)
Immunology & Inflammation related

>  <Form> (63)
Hydrochloride

>  <URL> (63)
http://www.selleckchem.com/products/Levamisole-Hydrochloride(Ergamisol).html

>  <CAS Number> (63)
16595-80-5 

$$$$
untitled.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (64)
594

>  <Formula> (64)
C29H41F2N5O

>  <MolWeight> (64)
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>  <Item Name> (64)
Maraviroc

>  <Catalog Number> (64)
S2003

>  <Synonyms> (64)
UK-427857, Celsentri 

>  <Target> (64)
CCR5 

>  <Form> (64)
Free Base

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

>  <CAS Number> (64)
376348-65-1

$$$$
Sulindac.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (65)
598

>  <Formula> (65)
C20H17FO3S

>  <MolWeight> (65)
356.4105832

>  <Item Name> (65)
Sulindac (Clinoril)

>  <Catalog Number> (65)
S2007

>  <Synonyms> (65)
Clinoril, Aflodac, Sulreuma

>  <Target> (65)
NULL

>  <Form> (65)
Free Base

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

>  <CAS Number> (65)
38194-50-2

$$$$
Tangeretin.cdx
csChFnd80/07161817412D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
607

>  <Formula> (66)
C20H20O7

>  <MolWeight> (66)
372.3686

>  <Item Name> (66)
Tangeretin (Tangeritin)

>  <Catalog Number> (66)
S2363

>  <Synonyms> (66)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (66)
ROS

>  <Form> (66)
Free Base

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

>  <CAS Number> (66)
481-53-8

$$$$
Dexamethasone acetate.cdx
csChFnd80/07161817412D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (67)
658

>  <Formula> (67)
C24H31FO6

>  <MolWeight> (67)
434.4977432

>  <Item Name> (67)
Dexamethasone acetate

>  <Catalog Number> (67)
S3124

>  <Synonyms> (67)
N/A

>  <Target> (67)
IL Receptor,Autophagy

>  <Form> (67)
Free Base

>  <URL> (67)
http://www.selleckchem.com/products/dexamethasone-acetate.html

>  <CAS Number> (67)
1177-87-3

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/07161817412D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (68)
681

>  <Formula> (68)
C19H19ClN2

>  <MolWeight> (68)
310.82056

>  <Item Name> (68)
Desloratadine 

>  <Catalog Number> (68)
S4012

>  <Synonyms> (68)
N/A

>  <Target> (68)
Histamine Receptor

>  <Form> (68)
Free Base

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

>  <CAS Number> (68)
100643-71-8

$$$$
R 788.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (69)
702

>  <Formula> (69)
C23H24FN6Na2O9P

>  <MolWeight> (69)
624.4231642

>  <Item Name> (69)
R935788 (Fostamatinib disodium)

>  <Catalog Number> (69)
S2206

>  <Synonyms> (69)
N/A 

>  <Target> (69)
Syk

>  <Form> (69)
Sodium Salt

>  <URL> (69)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

>  <CAS Number> (69)
1025687-58-4

$$$$
Cyclosporin A.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (70)
740

>  <Formula> (70)
C62H111N11O12

>  <MolWeight> (70)
1202.61124

>  <Item Name> (70)
Cyclosporin A

>  <Catalog Number> (70)
S2286

>  <Synonyms> (70)
Cyclosporine A

>  <Target> (70)
phosphatase

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (70)
59865-13-3

$$$$
Diosmin.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (71)
744

>  <Formula> (71)
C28H32O15

>  <MolWeight> (71)
608.54468

>  <Item Name> (71)
Diosmin

>  <Catalog Number> (71)
S2292

>  <Synonyms> (71)
N/A

>  <Target> (71)
Others

>  <Form> (71)
Free Base

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

>  <CAS Number> (71)
520-27-4

$$$$
Hesperetin.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (72)
759

>  <Formula> (72)
C16H14O6

>  <MolWeight> (72)
302.27876

>  <Item Name> (72)
Hesperetin

>  <Catalog Number> (72)
S2308

>  <Synonyms> (72)
N/A

>  <Target> (72)
Histamine Receptor

>  <Form> (72)
Free Base

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

>  <CAS Number> (72)
520-33-2

$$$$
Rutaecarpine.cdx
csChFnd80/07161817412D

 22 26  0  0  0  0  0  0  0  0999 V2000
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 17  5  1  0  0  0  0
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M  END
>  <Mol_ID> (73)
793

>  <Formula> (73)
C18H13N3O

>  <MolWeight> (73)
287.31532

>  <Item Name> (73)
Rutaecarpine (Rutecarpine)

>  <Catalog Number> (73)
S2349

>  <Synonyms> (73)
Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine 

>  <Target> (73)
COX

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/Rutaecarpine(Rutecarpine).html

>  <CAS Number> (73)
84-26-4

$$$$
Rutin DAB10.cdx
csChFnd80/07161817412D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
794

>  <Formula> (74)
C27H30O16

>  <MolWeight> (74)
610.5175

>  <Item Name> (74)
Rutin (Rutoside)

>  <Catalog Number> (74)
S2350

>  <Synonyms> (74)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (74)
NULL

>  <Form> (74)
Free Base

>  <URL> (74)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (74)
153-18-4

$$$$
Salicin.cdx
csChFnd80/07161817412D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (75)
795

>  <Formula> (75)
C13H18O7

>  <MolWeight> (75)
286.27782

>  <Item Name> (75)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (75)
S2351

>  <Synonyms> (75)
Salicoside, Salicine

>  <Target> (75)
COX

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (75)
138-52-3

$$$$
Dihydromyricetin.cdx
csChFnd80/07161817412D

 23 25  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> (76)
797

>  <Formula> (76)
C15H12O8

>  <MolWeight> (76)
320.25098

>  <Item Name> (76)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (76)
S2399

>  <Synonyms> (76)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (76)
Others

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

>  <CAS Number> (76)
27200-12-0

$$$$
Olopatadine HCl.cdx
csChFnd80/07161817412D

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 12  8  1  0  0  0  0
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 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (77)
850

>  <Formula> (77)
C21H24ClNO3

>  <MolWeight> (77)
373.87316

>  <Item Name> (77)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (77)
S2494

>  <Synonyms> (77)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (77)
Histamine Receptor

>  <Form> (77)
Hydrochloride

>  <URL> (77)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (77)
140462-76-6

$$$$
Asaraldehyde.cdx
csChFnd80/07161817412D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (78)
876

>  <Formula> (78)
C10H12O4

>  <MolWeight> (78)
196.19988

>  <Item Name> (78)
Asaraldehyde (Asaronaldehyde)

>  <Catalog Number> (78)
S2531

>  <Synonyms> (78)
Asaronaldehyde, Asarylaldehyde, NSC 89299 

>  <Target> (78)
COX

>  <Form> (78)
Free Base

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

>  <CAS Number> (78)
4460-86-0 

$$$$
P.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (79)
885

>  <Formula> (79)
C43H68ClNO11

>  <MolWeight> (79)
810.45312

>  <Item Name> (79)
Pimecrolimus

>  <Catalog Number> (79)
S5004

>  <Synonyms> (79)
Elidel, SDZ-ASM-981

>  <Target> (79)
Others

>  <Form> (79)
Free Base

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

>  <CAS Number> (79)
137071-32-0

$$$$
CP-690550 citrate.cdx
csChFnd80/07161817412D

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   12.1033    1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.7844    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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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  6  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
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 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
>  <Mol_ID> (80)
891

>  <Formula> (80)
C22H28N6O8

>  <MolWeight> (80)
504.49312

>  <Item Name> (80)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (80)
S5001

>  <Synonyms> (80)
N/A 

>  <Target> (80)
JAK

>  <Form> (80)
Citrate

>  <URL> (80)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (80)
540737-29-9

$$$$
Neohesperidin.cdx
csChFnd80/07161817412D

 43 47  0  0  0  0  0  0  0  0999 V2000
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   12.2516    5.9279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4640    3.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6723    5.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    1.7328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8847    8.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0971    5.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   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
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  6  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 28 23  1  0  0  0  0
 27 29  1  1  0  0  0
 25 30  1  1  0  0  0
 28 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  1  0  0  0
 26 39  1  6  0  0  0
 34 40  1  6  0  0  0
 36 41  1  6  0  0  0
 37 42  1  6  0  0  0
 30 43  1  0  0  0  0
M  END
>  <Mol_ID> (81)
899

>  <Formula> (81)
C28H34O15

>  <MolWeight> (81)
610.56056

>  <Item Name> (81)
Neohesperidin

>  <Catalog Number> (81)
S2332

>  <Synonyms> (81)
N/A

>  <Target> (81)
ROS

>  <Form> (81)
Free Base

>  <URL> (81)
http://www.selleckchem.com/products/Neohesperidin.html

>  <CAS Number> (81)
13241-33-3 

$$$$
Acetanilide.cdx
csChFnd80/07161817412D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0024    0.0000 C   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
    6.0580    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  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
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <Mol_ID> (82)
904

>  <Formula> (82)
C8H9NO

>  <MolWeight> (82)
135.16316

>  <Item Name> (82)
Acetanilide (Antifebrin)

>  <Catalog Number> (82)
S2538

>  <Synonyms> (82)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (82)
Others

>  <Form> (82)
Free Base

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

>  <CAS Number> (82)
103-84-4

$$$$
Cortisone acetate.cdx
csChFnd80/07161817412D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  5 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
 17 32  1  6  0  0  0
M  END
>  <Mol_ID> (83)
919

>  <Formula> (83)
C23H30O6

>  <MolWeight> (83)
402.4807

>  <Item Name> (83)
Cortisone acetate (Cortone)

>  <Catalog Number> (83)
S2559

>  <Synonyms> (83)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (83)
Glucocorticoid Receptor

>  <Form> (83)
Free Base

>  <URL> (83)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (83)
50-04-4

$$$$
R7935788.cdx
csChFnd80/07161817412D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3115    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9489    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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gp120/CD4

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357263-13-9 

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http://www.selleckchem.com/products/suplatast-tosilate.html

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94055-76-2

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   15.7743    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4158    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 17  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (88)
971

>  <Formula> (88)
C21H20O6

>  <MolWeight> (88)
368.3799

>  <Item Name> (88)
Curcumin

>  <Catalog Number> (88)
S1848

>  <Synonyms> (88)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (88)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (88)
Free Base

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

>  <CAS Number> (88)
458-37-7

$$$$
Ciproxifan.cdx
csChFnd80/07161817412D

 28 29  0  0  0  0  0  0  0  0999 V2000
   11.9152    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    8.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.3741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    5.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5277    5.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8277    4.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6574    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9574    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8574    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0574    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9574    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4574    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 10  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 12 15  1  0  0  0  0
  6  9  1  0  0  0  0
  1  3  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 20  1  0  0  0  0
  1 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (89)
972

>  <Formula> (89)
C20H22N2O6

>  <MolWeight> (89)
386.39848

>  <Item Name> (89)
Ciproxifan Maleate

>  <Catalog Number> (89)
S2813

>  <Synonyms> (89)
FUB 359

>  <Target> (89)
Histamine Receptor 

>  <Form> (89)
Maleate

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

>  <CAS Number> (89)
184025-19-2

$$$$
Prednisolone acetate.cdx
csChFnd80/07161817412D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2261    6.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8919    6.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5737    6.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5636    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    8.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9112    7.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
 14 24  1  1  0  0  0
 12 25  1  1  0  0  0
 10 26  1  6  0  0  0
 11 27  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (90)
975

>  <Formula> (90)
C23H30O6

>  <MolWeight> (90)
402.4807

>  <Item Name> (90)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (90)
S2570

>  <Synonyms> (90)
Omnipred

>  <Target> (90)
Glucocorticoid Receptor

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

>  <CAS Number> (90)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/07161817412D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (91)
976

>  <Formula> (91)
C6H8O4

>  <MolWeight> (91)
144.12532

>  <Item Name> (91)
Dimethyl Fumarate

>  <Catalog Number> (91)
S2586 

>  <Synonyms> (91)
N/A

>  <Target> (91)
Others

>  <Form> (91)
Free Base

>  <URL> (91)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (91)
624-49-7

$$$$
Brompheniramine maleate.cdx
csChFnd80/07161817412D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.5289    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5332    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    0.7243    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  4  1  0  0  0  0
  1 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  1  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (92)
1005

>  <Formula> (92)
C20H23BrN2O4

>  <MolWeight> (92)
435.31162

>  <Item Name> (92)
Brompheniramine hydrogen maleate

>  <Catalog Number> (92)
S2585

>  <Synonyms> (92)
N/A

>  <Target> (92)
Histamine Receptor

>  <Form> (92)
Maleate

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

>  <CAS Number> (92)
980-71-2

$$$$
Fluticasone propionate.cdx
csChFnd80/07161817412D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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  2  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 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (93)
1040

>  <Formula> (93)
C25H31F3O5S

>  <MolWeight> (93)
500.5708496

>  <Item Name> (93)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (93)
S1992

>  <Synonyms> (93)
N/A 

>  <Target> (93)
Glucocorticoid Receptor

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (93)
80474-14-2

$$$$
Ketotifen fumarate.cdx
csChFnd80/07161817412D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (94)
1042

>  <Formula> (94)
C23H23NO5S

>  <MolWeight> (94)
425.49742

>  <Item Name> (94)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (94)
S2024

>  <Synonyms> (94)
N/A 

>  <Target> (94)
Histamine Receptor

>  <Form> (94)
Fumarate 

>  <URL> (94)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (94)
34580-14-8

$$$$
Meclizine dihydrochloride.cdx
csChFnd80/07161817412D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (95)
1044

>  <Formula> (95)
C25H29Cl3N2

>  <MolWeight> (95)
463.87016

>  <Item Name> (95)
Meclizine dihydrochloride

>  <Catalog Number> (95)
S1986 

>  <Synonyms> (95)
N/A

>  <Target> (95)
Others

>  <Form> (95)
Dihydrochloride

>  <URL> (95)
http://www.selleckchem.com/products/meclizine-dihydrochloride.html

>  <CAS Number> (95)
1104-22-9

$$$$
Mometasone furoate.cdx
csChFnd80/07161817412D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (96)
1046

>  <Formula> (96)
C27H30Cl2O6

>  <MolWeight> (96)
521.4295

>  <Item Name> (96)
Mometasone furoate

>  <Catalog Number> (96)
S1987

>  <Synonyms> (96)
N/A

>  <Target> (96)
Glucocorticoid Receptor

>  <Form> (96)
Furoate

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

>  <CAS Number> (96)
83919-23-7

$$$$
Pidotimod.cdx
csChFnd80/07161817412D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
1049

>  <Formula> (97)
C9H12N2O4S

>  <MolWeight> (97)
244.26758

>  <Item Name> (97)
Pidotimod

>  <Catalog Number> (97)
S3106

>  <Synonyms> (97)
N/A 

>  <Target> (97)
Others

>  <Form> (97)
Free Base

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

>  <CAS Number> (97)
121808-62-6

$$$$
Disodium Cromoglycate.cdx
csChFnd80/07161817412D

 36 37  0  0  0  0  0  0  0  0999 V2000
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (98)
1060

>  <Formula> (98)
C23H14Na2O11

>  <MolWeight> (98)
512.3302

>  <Item Name> (98)
Disodium Cromoglycate

>  <Catalog Number> (98)
S1911

>  <Synonyms> (98)
Gynazole

>  <Target> (98)
Calcium Channel

>  <Form> (98)
Disodium Salt

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

>  <CAS Number> (98)
15826-37-6

$$$$
Acemetacin.cdx
csChFnd80/07161817412D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.6139    8.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (99)
1072

>  <Formula> (99)
C21H18ClNO6

>  <MolWeight> (99)
415.82372

>  <Item Name> (99)
Acemetacin (Emflex)

>  <Catalog Number> (99)
S2602

>  <Synonyms> (99)
N/A 

>  <Target> (99)
COX

>  <Form> (99)
Free Base

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

>  <CAS Number> (99)
53164-05-9

$$$$
Clobetasol propionate.cdx
csChFnd80/07161817412D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (100)
1077

>  <Formula> (100)
C25H32ClFO5

>  <MolWeight> (100)
466.9699832

>  <Item Name> (100)
Clobetasol propionate

>  <Catalog Number> (100)
S2584

>  <Synonyms> (100)
N/A

>  <Target> (100)
Glucocorticoid Receptor

>  <Form> (100)
Free Base

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

>  <CAS Number> (100)
25122-46-7

$$$$
Phenacetin.cdx
csChFnd80/07161817412D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
1084

>  <Formula> (101)
C10H13NO2

>  <MolWeight> (101)
179.21572

>  <Item Name> (101)
Phenacetin

>  <Catalog Number> (101)
S2577

>  <Synonyms> (101)
N/A

>  <Target> (101)
COX

>  <Form> (101)
Free Base

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

>  <CAS Number> (101)
62-44-2

$$$$
Tolfenamic acid.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (102)
1089

>  <Formula> (102)
C14H12ClNO2

>  <MolWeight> (102)
261.70358

>  <Item Name> (102)
Tolfenamic acid

>  <Catalog Number> (102)
S1959

>  <Synonyms> (102)
N/A

>  <Target> (102)
COX

>  <Form> (102)
Free Base

>  <URL> (102)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (102)
13710-19-5

$$$$
Geniposidic acid.cdx
csChFnd80/07161817412D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (103)
1096

>  <Formula> (103)
C16H22O10

>  <MolWeight> (103)
374.33988

>  <Item Name> (103)
Geniposidic acid

>  <Catalog Number> (103)
S2413

>  <Synonyms> (103)
N/A

>  <Target> (103)
Immunology & Inflammation related

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
27741-01-1

$$$$
Idebenone.cdx
csChFnd80/07161817412D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
1098

>  <Formula> (104)
C19H30O5

>  <MolWeight> (104)
338.4385

>  <Item Name> (104)
Idebenone

>  <Catalog Number> (104)
S2605 

>  <Synonyms> (104)
N/A

>  <Target> (104)
ROS

>  <Form> (104)
Free Base

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

>  <CAS Number> (104)
58186-27-9

$$$$
Lornoxicam.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (105)
1112

>  <Formula> (105)
C13H10ClN3O4S2

>  <MolWeight> (105)
371.8192

>  <Item Name> (105)
Lornoxicam (Xefo)

>  <Catalog Number> (105)
S2047

>  <Synonyms> (105)
N/A 

>  <Target> (105)
COX

>  <Form> (105)
Free Base

>  <URL> (105)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (105)
70374-39-9

$$$$
Nimesulide.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (106)
1115

>  <Formula> (106)
C13H12N2O5S

>  <MolWeight> (106)
308.30978

>  <Item Name> (106)
Nimesulide

>  <Catalog Number> (106)
S2040

>  <Synonyms> (106)
N/A

>  <Target> (106)
COX

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (106)
51803-78-2

$$$$
Laquinimod(ABR-215062).cdx
csChFnd80/07161817412D

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>  <Mol_ID> (107)
1179

>  <Formula> (107)
C19H17ClN2O3

>  <MolWeight> (107)
356.80288

>  <Item Name> (107)
Laquinimod (ABR-215062)

>  <Catalog Number> (107)
S2787 

>  <Synonyms> (107)
N/A 

>  <Target> (107)
Immunology & Inflammation related

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/laquinimod-abr-215062.html

>  <CAS Number> (107)
248281-84-7

$$$$
CP-690550.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (108)
1181

>  <Formula> (108)
C16H20N6O

>  <MolWeight> (108)
312.3696

>  <Item Name> (108)
Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (108)
S2789

>  <Synonyms> (108)
Tasocitinib 

>  <Target> (108)
JAK

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (108)
477600-75-2

$$$$
Plerixafor 8HCl.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (109)
1187

>  <Formula> (109)
C28H62Cl8N8

>  <MolWeight> (109)
794.46948

>  <Item Name> (109)
Plerixafor 8HCl (DB06809)

>  <Catalog Number> (109)
S3013 

>  <Synonyms> (109)
AMD3100 

>  <Target> (109)
CXCR

>  <Form> (109)
Octahydrochloride 

>  <URL> (109)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

>  <CAS Number> (109)
155148-31-5

$$$$
Bufexamac.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (110)
1192

>  <Formula> (110)
C12H17NO3

>  <MolWeight> (110)
223.26828

>  <Item Name> (110)
Bufexamac

>  <Catalog Number> (110)
S3023

>  <Synonyms> (110)
N/A 

>  <Target> (110)
HDAC 

>  <Form> (110)
Free Base

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

>  <CAS Number> (110)
2438-72-4

$$$$
Aloperine.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (111)
1199

>  <Formula> (111)
C15H24N2

>  <MolWeight> (111)
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>  <Item Name> (111)
Aloperine

>  <Catalog Number> (111)
S2420 

>  <Synonyms> (111)
N/A 

>  <Target> (111)
Others

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/aloperine.html

>  <CAS Number> (111)
56293-29-9

$$$$
Bindarit.cdx
csChFnd80/07161817412D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    5.1560    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3108    0.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1839    2.7861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0096    2.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7307    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6247    5.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0404    5.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    7.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    7.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7553    8.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1553    8.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8553    9.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2553    9.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    8.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2553    6.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8553    6.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7636    1.2460    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
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  8 16  1  0  0  0  0
 11 16  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
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 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 17 18  1  0  0  0  0
  8 17  1  0  0  0  0
  7 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
>  <Mol_ID> (112)
1203

>  <Formula> (112)
C19H20N2O3

>  <MolWeight> (112)
324.3737

>  <Item Name> (112)
Bindarit

>  <Catalog Number> (112)
S3032 

>  <Synonyms> (112)
N/A 

>  <Target> (112)
Others

>  <Form> (112)
Free Base

>  <URL> (112)
http://www.selleckchem.com/products/bindarit.html

>  <CAS Number> (112)
130641-38-2

$$$$
Thalidomide.cdx
csChFnd80/07161817412D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.4229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.7544    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8890    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (113)
1230

>  <Formula> (113)
C13H10N2O4

>  <MolWeight> (113)
258.2295

>  <Item Name> (113)
Thalidomide

>  <Catalog Number> (113)
S1193

>  <Synonyms> (113)
Thalomid 

>  <Target> (113)
E3 Ligase ,TNF-alpha

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (113)
50-35-1

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/07161817412D

 13 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9264    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (114)
1260

>  <Formula> (114)
C6H15ClN4O2

>  <MolWeight> (114)
210.6619

>  <Item Name> (114)
L-Arginine HCl

>  <Catalog Number> (114)
S3174

>  <Synonyms> (114)
N/A 

>  <Target> (114)
NOS

>  <Form> (114)
HCl

>  <URL> (114)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (114)
1119-34-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/07161817412D

 12 10  0  0  0  0  0  0  0  0999 V2000
   22.3586    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3586    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9337    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7213    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5089    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8178    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (115)
1261

>  <Formula> (115)
C8H14Cl2N2

>  <MolWeight> (115)
209.11616

>  <Item Name> (115)
Betahistine 2HCl

>  <Catalog Number> (115)
S3176

>  <Synonyms> (115)
N/A 

>  <Target> (115)
Histamine Receptor

>  <Form> (115)
2HCl

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

>  <CAS Number> (115)
5579-84-0

$$$$
Fexofenadine HCl.cdx
csChFnd80/07161817412D

 38 40  0  0  0  0  0  0  0  0999 V2000
    4.8413    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    4.1903    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3073    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1487    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1487    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
  9 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  9  1  0  0  0  0
  4 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
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 25  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (116)
1280

>  <Formula> (116)
C32H40ClNO4

>  <MolWeight> (116)
538.1173

>  <Item Name> (116)
Fexofenadine HCl

>  <Catalog Number> (116)
S3208

>  <Synonyms> (116)
N/A 

>  <Target> (116)
Histamine Receptor

>  <Form> (116)
hydrochloride

>  <URL> (116)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (116)
153439-40-8

$$$$
VIOXX (rofecoxib).cdx
csChFnd80/07161817412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (117)
1290

>  <Formula> (117)
C17H14O4S

>  <MolWeight> (117)
314.35566

>  <Item Name> (117)
Rofecoxib (Vioxx)

>  <Catalog Number> (117)
S3043

>  <Synonyms> (117)
N/A 

>  <Target> (117)
COX

>  <Form> (117)
Free Base

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

>  <CAS Number> (117)
N/A 

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/07161817412D

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2083    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6332    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4208    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15  9  1  0  0  0  0
 15 16  1  0  0  0  0
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 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (118)
1318

>  <Formula> (118)
C18H22Cl2N2O2

>  <MolWeight> (118)
369.28548

>  <Item Name> (118)
Diclofenac Diethylamine

>  <Catalog Number> (118)
S3063

>  <Synonyms> (118)
N/A

>  <Target> (118)
COX

>  <Form> (118)
Diethylamine

>  <URL> (118)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (118)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/07161817412D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2951    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
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 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (119)
1319

>  <Formula> (119)
C14H10Cl2KNO2

>  <MolWeight> (119)
334.239

>  <Item Name> (119)
Diclofenac Potassium

>  <Catalog Number> (119)
S3062

>  <Synonyms> (119)
N/A

>  <Target> (119)
Immunology & Inflammation related

>  <Form> (119)
Potassium

>  <URL> (119)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (119)
15307-81-0

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/07161817412D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.5180    5.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
  5 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 16 30  1  1  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 17 33  1  6  0  0  0
 14 38  1  1  0  0  0
M  END
>  <Mol_ID> (120)
1325

>  <Formula> (120)
C28H37ClO7

>  <MolWeight> (120)
521.04218

>  <Item Name> (120)
Beclomethasone dipropionate 

>  <Catalog Number> (120)
S3078

>  <Synonyms> (120)
Beclometasone dipropionate

>  <Target> (120)
Glucocorticoid Receptor

>  <Form> (120)
Free Base

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

>  <CAS Number> (120)
5534-09-8

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/07161817412D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (121)
1334

>  <Formula> (121)
C9H10O3

>  <MolWeight> (121)
166.1739

>  <Item Name> (121)
Apocynin (Acetovanillone)

>  <Catalog Number> (121)
S2425

>  <Synonyms> (121)
N/A

>  <Target> (121)
NADPH oxidase

>  <Form> (121)
Free Base

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

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

$$$$
Camostat mesilate.cdx
csChFnd80/07161817412D

 34 34  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3770    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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1341

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C21H26N4O8S

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Camostat Mesilate (FOY-305)

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S2874

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N/A

>  <Target> (122)
HCV Protease

>  <Form> (122)
Mesilate

>  <URL> (122)
http://www.selleckchem.com/products/camostat-mesilate-foy-305.html

>  <CAS Number> (122)
59721-29-8

$$$$
Rupatadine fumarate.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (123)
1342

>  <Formula> (123)
C30H30ClN3O4

>  <MolWeight> (123)
532.0299

>  <Item Name> (123)
Rupatadine Fumarate

>  <Catalog Number> (123)
S3052

>  <Synonyms> (123)
N/A

>  <Target> (123)
Histamine Receptor

>  <Form> (123)
Fumarate

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

>  <CAS Number> (123)
182349-12-8

$$$$
L-NAME HCl.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (124)
1347

>  <Formula> (124)
C7H16ClN5O4

>  <MolWeight> (124)
269.68604

>  <Item Name> (124)
L-NAME HCl

>  <Catalog Number> (124)
S2877

>  <Synonyms> (124)
N/A

>  <Target> (124)
NOS

>  <Form> (124)
Hydrochloride

>  <URL> (124)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (124)
51298-62-5

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/07161817412D

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>  <Mol_ID> (125)
1352

>  <Formula> (125)
C18H21N5O2

>  <MolWeight> (125)
339.39164

>  <Item Name> (125)
Alogliptin£¨SYR-322£©

>  <Catalog Number> (125)
S2868

>  <Synonyms> (125)
N/A

>  <Target> (125)
DPP-4

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (125)
850649-61-5

$$$$
Pirfenidone.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (126)
1360

>  <Formula> (126)
C12H11NO

>  <MolWeight> (126)
185.22184

>  <Item Name> (126)
Pirfenidone

>  <Catalog Number> (126)
S2907

>  <Synonyms> (126)
N/A

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

>  <Form> (126)
Free Base

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

>  <CAS Number> (126)
53179-13-8

$$$$
Tempol.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (127)
1361

>  <Formula> (127)
C9H18NO2 *

>  <MolWeight> (127)
172.24472

>  <Item Name> (127)
Tempol (4-Hydroxy-TEMPO)

>  <Catalog Number> (127)
S2910

>  <Synonyms> (127)
N/A

>  <Target> (127)
Immunology & Inflammation related

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/tempol-4-hydroxy-tempo.html

>  <CAS Number> (127)
2226-96-2

$$$$
Lumiracoxib.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (133)
1428

>  <Formula> (133)
C20H34O5

>  <MolWeight> (133)
354.48096

>  <Item Name> (133)
Alprostadil(Caverject)

>  <Catalog Number> (133)
S1508

>  <Synonyms> (133)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (133)
Immunology & Inflammation related

>  <Form> (133)
Free Base

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

>  <CAS Number> (133)
745-65-3

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (134)
1431

>  <Formula> (134)
C19H29ClN2O4

>  <MolWeight> (134)
384.89756

>  <Item Name> (134)
Roxatidine acetate HCl

>  <Catalog Number> (134)
S1880

>  <Synonyms> (134)
N/A

>  <Target> (134)
Histamine Receptor

>  <Form> (134)
Hydrochloride

>  <URL> (134)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (134)
93793-83-0

$$$$
Pranoprofen.cdx
csChFnd80/07161817412D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (135)
1437

>  <Formula> (135)
C15H13NO3

>  <MolWeight> (135)
255.26862

>  <Item Name> (135)
Pranoprofen

>  <Catalog Number> (135)
S1960

>  <Synonyms> (135)
N/A

>  <Target> (135)
COX

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
52549-17-4

$$$$
Tiopronin.cdx
csChFnd80/07161817412D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (136)
1447

>  <Formula> (136)
C5H9NO3S

>  <MolWeight> (136)
163.19486

>  <Item Name> (136)
Tiopronin (Thiola)

>  <Catalog Number> (136)
S2062

>  <Synonyms> (136)
N/A

>  <Target> (136)
ROS

>  <Form> (136)
Free Base

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

>  <CAS Number> (136)
1953-02-2

$$$$
Lafutidine.cdx
csChFnd80/07161817412D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (137)
1450

>  <Formula> (137)
C22H29N3O4S

>  <MolWeight> (137)
431.54836

>  <Item Name> (137)
Lafutidine

>  <Catalog Number> (137)
S2065

>  <Synonyms> (137)
N/A

>  <Target> (137)
Histamine Receptor

>  <Form> (137)
Free Base

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

>  <CAS Number> (137)
118288-08-7

$$$$
Famotidine.cdx
csChFnd80/07161817412D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (138)
1457

>  <Formula> (138)
C8H15N7O2S3

>  <MolWeight> (138)
337.4454

>  <Item Name> (138)
Famotidine (Pepcid)

>  <Catalog Number> (138)
S2078

>  <Synonyms> (138)
N/A

>  <Target> (138)
Histamine Receptor

>  <Form> (138)
Free Base

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

>  <CAS Number> (138)
76824-35-6

$$$$
Gabexate mesylate.cdx
csChFnd80/07161817412D

 28 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
1470

>  <Formula> (139)
C17H27N3O7S

>  <MolWeight> (139)
417.47718

>  <Item Name> (139)
Gabexate mesylate

>  <Catalog Number> (139)
S2101

>  <Synonyms> (139)
N/A

>  <Target> (139)
Proteasome

>  <Form> (139)
Mesylate

>  <URL> (139)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (139)
56974-61-9

$$$$
Flunixin meglumine.cdx
csChFnd80/07161817412D

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.5000    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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M  END
>  <Mol_ID> (140)
1473

>  <Formula> (140)
C21H28F3N3O7

>  <MolWeight> (140)
491.4581296

>  <Item Name> (140)
Flunixin meglumin

>  <Catalog Number> (140)
S2108

>  <Synonyms> (140)
N/A

>  <Target> (140)
COX

>  <Form> (140)
Meglumin

>  <URL> (140)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (140)
42461-84-7

$$$$
Tenoxicam.cdx
csChFnd80/07161817412D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4100    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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  6  1  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (141)
1488

>  <Formula> (141)
C13H11N3O4S2

>  <MolWeight> (141)
337.37414

>  <Item Name> (141)
Tenoxicam(Mobiflex)

>  <Catalog Number> (141)
S2512

>  <Synonyms> (141)
Mobiflex

>  <Target> (141)
COX

>  <Form> (141)
Free Base

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

>  <CAS Number> (141)
59804-37-4

$$$$
Zaltoprofen.cdx
csChFnd80/07161817412D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (142)
1498

>  <Formula> (142)
C17H14O3S

>  <MolWeight> (142)
298.35626

>  <Item Name> (142)
Zaltoprofen

>  <Catalog Number> (142)
S3008

>  <Synonyms> (142)
N/A

>  <Target> (142)
COX

>  <Form> (142)
Free Base

>  <URL> (142)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (142)
74711-43-6

$$$$
aspirin.cdx
csChFnd80/07161817412D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (143)
1501

>  <Formula> (143)
C9H8O4

>  <MolWeight> (143)
180.15742

>  <Item Name> (143)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (143)
S3017

>  <Synonyms> (143)
N/A

>  <Target> (143)
COX

>  <Form> (143)
Free Base

>  <URL> (143)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (143)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/07161817412D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (144)
1502

>  <Formula> (144)
C13H9F3N2O2

>  <MolWeight> (144)
282.2179696

>  <Item Name> (144)
Niflumic acid

>  <Catalog Number> (144)
S3018

>  <Synonyms> (144)
N/A

>  <Target> (144)
GABA Receptor

>  <Form> (144)
Free Base

>  <URL> (144)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (144)
4394-00-7

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/07161817412D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
1508

>  <Formula> (145)
C18H14N4O5S

>  <MolWeight> (145)
398.39256

>  <Item Name> (145)
Sulfasalazine (Azulfidine)

>  <Catalog Number> (145)
S1576

>  <Synonyms> (145)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (145)
COX,NF-¦ÊB

>  <Form> (145)
Free Base

>  <URL> (145)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

>  <CAS Number> (145)
599-79-1

$$$$
Ampiroxicam.cdx
csChFnd80/07161817412D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2715    3.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (146)
1559

>  <Formula> (146)
C20H21N3O7S

>  <MolWeight> (146)
447.46164

>  <Item Name> (146)
Ampiroxicam

>  <Catalog Number> (146)
S4011

>  <Synonyms> (146)
N/A

>  <Target> (146)
COX

>  <Form> (146)
Free Base

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

>  <CAS Number> (146)
99464-64-9

$$$$
Pemirolast potassium.cdx
csChFnd80/07161817412D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (147)
1565

>  <Formula> (147)
C10H7KN6O

>  <MolWeight> (147)
266.30048

>  <Item Name> (147)
Pemirolast (BMY 26517) potassium

>  <Catalog Number> (147)
S4008

>  <Synonyms> (147)
TWT-8152

>  <Target> (147)
Histamine Receptor

>  <Form> (147)
Potassium

>  <URL> (147)
http://www.selleckchem.com/products/pemirolast-bmy-26517-potassium.html

>  <CAS Number> (147)
100299-08-9

$$$$
Nabumetone.cdx
csChFnd80/07161817412D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
1589

>  <Formula> (148)
C15H16O2

>  <MolWeight> (148)
228.28634

>  <Item Name> (148)
Nabumetone

>  <Catalog Number> (148)
S4051

>  <Synonyms> (148)
Arthaxan, Relafen

>  <Target> (148)
COX

>  <Form> (148)
Free Base

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

>  <CAS Number> (148)
42924-53-8

$$$$
Apremilast (CC-10004).cdx
csChFnd80/07161817412D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 19 32  2  0  0  0  0
M  END
>  <Mol_ID> (149)
1597

>  <Formula> (149)
C22H24N2O7S

>  <MolWeight> (149)
460.50016

>  <Item Name> (149)
Apremilast (CC-10004)
Apremilast (CC-10004)

>  <Catalog Number> (149)
S8034

>  <Synonyms> (149)
N/A

>  <Target> (149)
PDE

>  <Form> (149)
Free Base

>  <URL> (149)
http://www.selleckchem.com/products/apremilast-cc-10004.html

>  <CAS Number> (149)
608141-41-9

$$$$
olsalazine sodium.cdx
csChFnd80/07161817412D

 24 23  0  0  0  0  0  0  0  0999 V2000
    2.0951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    3.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    2.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1056    4.9583    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  6 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (150)
1609

>  <Formula> (150)
C14H8N2Na2O6

>  <MolWeight> (150)
346.20266

>  <Item Name> (150)
Olsalazine Sodium

>  <Catalog Number> (150)
S4041

>  <Synonyms> (150)
N/A

>  <Target> (150)
Antifection

>  <Form> (150)
Disodium Salt

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

>  <CAS Number> (150)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/07161817412D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.9656    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2971    2.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2971    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    2.2152    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5579    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1463    2.5312    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
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
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 11  6  1  0  0  0  0
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 13 14  2  0  0  0  0
 15  8  2  0  0  0  0
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 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (151)
1610

>  <Formula> (151)
C13H17ClN2

>  <MolWeight> (151)
236.74048

>  <Item Name> (151)
Tetrahydrozoline HCl

>  <Catalog Number> (151)
S4043

>  <Synonyms> (151)
N/A

>  <Target> (151)
Adrenergic Receptor

>  <Form> (151)
hydrochloride

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

>  <CAS Number> (151)
522-48-5

$$$$

csChFnd80/07161817412D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9142    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5506    3.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  1  0  0  0  0
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 11  7  1  0  0  0  0
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 10 22  1  0  0  0  0
M  END
>  <Mol_ID> (152)
1629

>  <Formula> (152)
C16H14N2O3S

>  <MolWeight> (152)
314.35896

>  <Item Name> (152)
Valdecoxib

>  <Catalog Number> (152)
S4049

>  <Synonyms> (152)
SC-65872, YM-974

>  <Target> (152)
COX

>  <Form> (152)
Free Base

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

>  <CAS Number> (152)
181695-72-7

$$$$
Mefenamic acid.cdx
csChFnd80/07161817412D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (153)
1637

>  <Formula> (153)
C15H15NO2

>  <MolWeight> (153)
241.2851

>  <Item Name> (153)
Mefenamic Acid

>  <Catalog Number> (153)
S4078

>  <Synonyms> (153)
N/A

>  <Target> (153)
COX

>  <Form> (153)
Free Base

>  <URL> (153)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (153)
61-68-7

$$$$
Sodium nitrite.cdx
csChFnd80/07161817412D

  4  2  0  0  0  0  0  0  0  0999 V2000
    2.2103    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5979    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
>  <Mol_ID> (154)
1640

>  <Formula> (154)
NNaO2

>  <MolWeight> (154)
68.99527

>  <Item Name> (154)
Sodium Nitrite

>  <Catalog Number> (154)
S4074

>  <Synonyms> (154)
N/A

>  <Target> (154)
Others

>  <Form> (154)
Sodium Salt

>  <URL> (154)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (154)
7632-00-0

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/07161817412D

 28 28  0  0  0  0  0  0  0  0999 V2000
    8.9060    4.2083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1182    4.9082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9060    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3211    4.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1114    6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6940    6.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4735    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1181    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5217    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3349    7.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2588    4.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1123    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5412    6.3023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2591    6.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9044    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7534    7.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0469    7.0015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9688    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1795    6.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3925    6.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6044    6.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8168    6.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545   21.3583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   21.3583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  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
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 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
M  END
>  <Mol_ID> (155)
1654

>  <Formula> (155)
C21H29Cl3N2O2

>  <MolWeight> (155)
447.82616

>  <Item Name> (155)
Hydroxyzine 2HCl

>  <Catalog Number> (155)
S4026

>  <Synonyms> (155)
N/A

>  <Target> (155)
Histamine Receptor

>  <Form> (155)
dihydrochloride

>  <URL> (155)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (155)
2192-20-3

$$$$
Levodropropizine.cdx
csChFnd80/07161817412D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 15  1  1  0  0  0
M  END
>  <Mol_ID> (156)
1660

>  <Formula> (156)
C13H20N2O2

>  <MolWeight> (156)
236.3101

>  <Item Name> (156)
Levodropropizine

>  <Catalog Number> (156)
S4131

>  <Synonyms> (156)
N/A

>  <Target> (156)
Histamine Receptor

>  <Form> (156)
Free Base

>  <URL> (156)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (156)
99291-25-5

$$$$
Cyclizine 2HCl.cdx
csChFnd80/07161817412D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2927    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
    3.6331    4.1927    0.0000 N   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
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 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
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5762    4.8781    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6492    3.4927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 10 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 10  1  0  0  0  0
M  END
>  <Mol_ID> (157)
1703

>  <Formula> (157)
C18H24Cl2N2

>  <MolWeight> (157)
339.30256

>  <Item Name> (157)
Cyclizine 2HCl

>  <Catalog Number> (157)
S4139

>  <Synonyms> (157)
N/A

>  <Target> (157)
Histamine Receptor

>  <Form> (157)
Hydrochloride

>  <URL> (157)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (157)
5897-18-7

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/07161817412D

 21 20  0  0  0  0  0  0  0  0999 V2000
    2.4231    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    1.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4231    3.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    1.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8474    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    4.2009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0776    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090    5.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0755    4.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205    6.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205    7.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    5.6051    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.7434    5.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609    5.5989    0.0000 Na  0  3  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  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (158)
1714

>  <Formula> (158)
C15H14NNaO4

>  <MolWeight> (158)
295.26573

>  <Item Name> (158)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (158)
S4149

>  <Synonyms> (158)
N/A

>  <Target> (158)
COX

>  <Form> (158)
Free Base

>  <URL> (158)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (158)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/07161817412D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.7301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    7.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    9.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    9.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4889    8.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8583    8.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3542   11.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1437    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952    5.2864    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  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 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (159)
1715

>  <Formula> (159)
C19H24ClN3O

>  <MolWeight> (159)
345.86636

>  <Item Name> (159)
Benzydamine Hydrochloride

>  <Catalog Number> (159)
S4165

>  <Synonyms> (159)
N/A

>  <Target> (159)
Immunology & Inflammation related

>  <Form> (159)
Hydrochloride

>  <URL> (159)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (159)
132-69-4

$$$$
RIMADYL (carprofen).cdx
csChFnd80/07161817412D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    3.4927    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
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1717

>  <Formula> (160)
C15H12ClNO2

>  <MolWeight> (160)
273.71428

>  <Item Name> (160)
Carprofen

>  <Catalog Number> (160)
S4136

>  <Synonyms> (160)
N/A

>  <Target> (160)
COX

>  <Form> (160)
Free Base

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

>  <CAS Number> (160)
53716-49-7

$$$$
Chloroquine phosphate.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (161)
1720

>  <Formula> (161)
C18H32ClN3O8P2

>  <MolWeight> (161)
515.862502

>  <Item Name> (161)
Chloroquine Phosphate

>  <Catalog Number> (161)
S4157

>  <Synonyms> (161)
N/A

>  <Target> (161)
Others

>  <Form> (161)
Diphosphate

>  <URL> (161)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (161)
50-63-5

$$$$
Cinchophen.cdx
csChFnd80/07161817412D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
1727

>  <Formula> (162)
C16H11NO2

>  <MolWeight> (162)
249.26404

>  <Item Name> (162)
Cinchophen

>  <Catalog Number> (162)
S4190

>  <Synonyms> (162)
N/A

>  <Target> (162)
Others

>  <Form> (162)
Free Base

>  <URL> (162)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (162)
132-60-5

$$$$
Coumarin.cdx
csChFnd80/07161817412D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
1733

>  <Formula> (163)
C9H6O2

>  <MolWeight> (163)
146.14274

>  <Item Name> (163)
Coumarin

>  <Catalog Number> (163)
S4170

>  <Synonyms> (163)
N/A

>  <Target> (163)
PARP

>  <Form> (163)
Free Base

>  <URL> (163)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (163)
91-64-5

$$$$
Ethamsylate.cdx
csChFnd80/07161817412D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (164)
1740

>  <Formula> (164)
C10H17NO5S

>  <MolWeight> (164)
263.31068

>  <Item Name> (164)
Ethamsylate

>  <Catalog Number> (164)
S4152

>  <Synonyms> (164)
N/A

>  <Target> (164)
Immunology & Inflammation related

>  <Form> (164)
Diethylamine

>  <URL> (164)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (164)
2624-44-4

$$$$
Sasapyrine.cdx
csChFnd80/07161817412D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (165)
1749

>  <Formula> (165)
C14H10O5

>  <MolWeight> (165)
258.2262

>  <Item Name> (165)
Sasapyrine

>  <Catalog Number> (165)
S4188

>  <Synonyms> (165)
N/A

>  <Target> (165)
COX

>  <Form> (165)
Free Base

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

>  <CAS Number> (165)
552-94-3

$$$$
Trometamol.cdx
csChFnd80/07161817412D

  8  7  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (166)
1756

>  <Formula> (166)
C4H11NO3

>  <MolWeight> (166)
121.13504

>  <Item Name> (166)
Trometamol

>  <Catalog Number> (166)
S4176

>  <Synonyms> (166)
N/A

>  <Target> (166)
COX

>  <Form> (166)
Free Base

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

>  <CAS Number> (166)
77-86-1

$$$$
Doxylamine succinate.cdx
csChFnd80/07161817412D

 28 28  0  0  0  0  0  0  0  0999 V2000
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    1.2167    8.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (167)
1782

>  <Formula> (167)
C21H28N2O5

>  <MolWeight> (167)
388.45742

>  <Item Name> (167)
Doxylamine Succinate

>  <Catalog Number> (167)
S4240

>  <Synonyms> (167)
N/A

>  <Target> (167)
Histamine Receptor

>  <Form> (167)
Succinate

>  <URL> (167)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (167)
562-10-7

$$$$
teriflunomide.cdx
csChFnd80/07161817412D

 19 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (168)
1796

>  <Formula> (168)
C12H9F3N2O2

>  <MolWeight> (168)
270.2072696

>  <Item Name> (168)
Teriflunomide

>  <Catalog Number> (168)
S4169

>  <Synonyms> (168)
N/A

>  <Target> (168)
Dehydrogenase,Immunology & Inflammation

>  <Form> (168)
Free Base

>  <URL> (168)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (168)
108605-62-5

$$$$
Difluprednate.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (169)
1806

>  <Formula> (169)
C27H34F2O7

>  <MolWeight> (169)
508.5514664

>  <Item Name> (169)
Difluprednate

>  <Catalog Number> (169)
S4095

>  <Synonyms> (169)
N/A

>  <Target> (169)
Others

>  <Form> (169)
Free Base

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

>  <CAS Number> (169)
23674-86-4

$$$$
flumethasone.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (170)
1813

>  <Formula> (170)
C22H28F2O5

>  <MolWeight> (170)
410.4515264

>  <Item Name> (170)
Flumethasone

>  <Catalog Number> (170)
S4088

>  <Synonyms> (170)
N/A

>  <Target> (170)
Glucocorticoid Receptor

>  <Form> (170)
Free Base

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

>  <CAS Number> (170)
2135-17-3

$$$$
Halcinonide.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (171)
1815

>  <Formula> (171)
C24H32ClFO5

>  <MolWeight> (171)
454.9592832

>  <Item Name> (171)
Halcinonide

>  <Catalog Number> (171)
S4098

>  <Synonyms> (171)
N/A

>  <Target> (171)
Immunology & Inflammation related

>  <Form> (171)
Free Base

>  <URL> (171)
http://www.selleckchem.com/products/halcinonide.html

>  <CAS Number> (171)
3093-35-4

$$$$
halobetasol propionate .cdx
csChFnd80/07161817412D

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>  <Mol_ID> (172)
1816

>  <Formula> (172)
C25H31ClF2O5

>  <MolWeight> (172)
484.9604464

>  <Item Name> (172)
Halobetasol Propionate

>  <Catalog Number> (172)
S4089

>  <Synonyms> (172)
N/A

>  <Target> (172)
Phospholipase (e.g. PLA)

>  <Form> (172)
Free Base

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

>  <CAS Number> (172)
66852-54-8

$$$$
Fluorometholone Acetate.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (173)
1856

>  <Formula> (173)
C24H31FO5

>  <MolWeight> (173)
418.4983432

>  <Item Name> (173)
Fluorometholone Acetate

>  <Catalog Number> (173)
S4228

>  <Synonyms> (173)
N/A

>  <Target> (173)
Glucocorticoid Receptor

>  <Form> (173)
Free Base

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

>  <CAS Number> (173)
3801-06-7

$$$$
Oxaprozin.cdx
csChFnd80/07161817412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (174)
1865

>  <Formula> (174)
C18H15NO3

>  <MolWeight> (174)
293.3166

>  <Item Name> (174)
Oxaprozin

>  <Catalog Number> (174)
S4230

>  <Synonyms> (174)
N/A

>  <Target> (174)
COX

>  <Form> (174)
Free Base

>  <URL> (174)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (174)
21256-18-8

$$$$
pheniramine maleate .cdx
csChFnd80/07161817412D

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 14  9  1  0  0  0  0
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 23 24  1  0  0  0  0
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 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (175)
1867

>  <Formula> (175)
C20H24N2O4

>  <MolWeight> (175)
356.41556

>  <Item Name> (175)
Pheniramine Maleate

>  <Catalog Number> (175)
S4045

>  <Synonyms> (175)
N/A

>  <Target> (175)
Histamine Receptor

>  <Form> (175)
Maleate

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

>  <CAS Number> (175)
132-20-7

$$$$
Bromfenac sodium.cdx
csChFnd80/07161817412D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.0685    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.8500    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    4.8498    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9502    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5500    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5500    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2502    6.0623    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0502    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 16 20  1  0  0  0  0
  8 12  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (176)
1877

>  <Formula> (176)
C15H11BrNNaO3

>  <MolWeight> (176)
356.14651

>  <Item Name> (176)
Bromfenac Sodium

>  <Catalog Number> (176)
S4248

>  <Synonyms> (176)
N/A

>  <Target> (176)
COX

>  <Form> (176)
Sodium Salt

>  <URL> (176)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (176)
91714-93-1

$$$$
Epinastine HCl.cdx
csChFnd80/07161817412D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.5193    3.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    3.6741    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4917    2.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9744    8.1943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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 11 12  1  0  0  0  0
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  3 14  2  0  0  0  0
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 17 18  1  0  0  0  0
  6 18  2  0  0  0  0
  7 15  2  0  0  0  0
  8 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (177)
1883

>  <Formula> (177)
C16H16ClN3

>  <MolWeight> (177)
285.77134

>  <Item Name> (177)
Epinastine HCl

>  <Catalog Number> (177)
S4253

>  <Synonyms> (177)
N/A

>  <Target> (177)
Histamine Receptor

>  <Form> (177)
Hydrochloride

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

>  <CAS Number> (177)
108929-04-0

$$$$
Latrepirdine.cdx
csChFnd80/07161817412D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.0379    7.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1705    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7379    9.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3378    9.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4013   10.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365   10.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5992    9.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5357    8.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9052    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6748   10.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5400    8.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4768    9.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0441   10.5870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0379    6.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4586    3.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9777   11.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (178)
1891

>  <Formula> (178)
C21H27Cl2N3

>  <MolWeight> (178)
392.36518

>  <Item Name> (178)
Latrepirdine 2HCl

>  <Catalog Number> (178)
S1245

>  <Synonyms> (178)
Dimebolin

>  <Target> (178)
GluR

>  <Form> (178)
Dihydrochloride

>  <URL> (178)
http://www.selleckchem.com/products/Dimebon.html

>  <CAS Number> (178)
97657-92-6

$$$$
CO-1686(AVL-301).cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (179)
1941

>  <Formula> (179)
C27H28F3N7O3

>  <MolWeight> (179)
555.5515296

>  <Item Name> (179)
Rociletinib (CO-1686, AVL-301)

>  <Catalog Number> (179)
S7284

>  <Synonyms> (179)
CNX-419, AVL-301

>  <Target> (179)
EGFR

>  <Form> (179)
Free Base

>  <URL> (179)
http://www.selleckchem.com/products/co-1686.html

>  <CAS Number> (179)
1374640-70-6

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (180)
2057

>  <Formula> (180)
C15H13FO2

>  <MolWeight> (180)
244.2609232

>  <Item Name> (180)
Flurbiprofen

>  <Catalog Number> (180)
S1679

>  <Synonyms> (180)
Urbifen, Ansaid, Flurwood, Froben

>  <Target> (180)
COX

>  <Form> (180)
Free Base

>  <URL> (180)
http://www.selleckchem.com/products/Flurbiprofen(Ansaid).html

>  <CAS Number> (180)
51543-39-6

$$$$
Chlorpheniramine Maleate.cdx
csChFnd80/07161817412D

 27 27  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
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 18 13  1  0  0  0  0
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 21 22  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (181)
2058

>  <Formula> (181)
C20H23ClN2O4

>  <MolWeight> (181)
390.86062

>  <Item Name> (181)
Chlorpheniramine Maleate

>  <Catalog Number> (181)
S1816

>  <Synonyms> (181)
Piriton

>  <Target> (181)
Histamine Receptor

>  <Form> (181)
Maleate

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

>  <CAS Number> (181)
113-92-8

$$$$
Diacerein.cdx
csChFnd80/07161817412D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0538    3.4951    0.0000 C   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  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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 10  2  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (182)
2074

>  <Formula> (182)
C19H12O8

>  <MolWeight> (182)
368.29378

>  <Item Name> (182)
Diacerein

>  <Catalog Number> (182)
S4267 

>  <Synonyms> (182)
N/A

>  <Target> (182)
IL Receptor

>  <Form> (182)
Free Base

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

>  <CAS Number> (182)
13739-02-1

$$$$
Ebastine.cdx
csChFnd80/07161817412D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (183)
2077

>  <Formula> (183)
C32H39NO2

>  <MolWeight> (183)
469.65756

>  <Item Name> (183)
Ebastine

>  <Catalog Number> (183)
S4262 

>  <Synonyms> (183)
N/A

>  <Target> (183)
Others

>  <Form> (183)
Free Base

>  <URL> (183)
http://www.selleckchem.com/products/ebastine.html

>  <CAS Number> (183)
90729-43-4

$$$$
Flufenamic acid.cdx
csChFnd80/07161817412D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (184)
2080

>  <Formula> (184)
C14H10F3NO2

>  <MolWeight> (184)
281.2299096

>  <Item Name> (184)
Flufenamic acid

>  <Catalog Number> (184)
S4268 

>  <Synonyms> (184)
N/A

>  <Target> (184)
COX

>  <Form> (184)
Free Base

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

>  <CAS Number> (184)
530-78-9

$$$$
VGX-1027.cdx
csChFnd80/07161817412D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (185)
2172

>  <Formula> (185)
C11H11NO3

>  <MolWeight> (185)
205.20994

>  <Item Name> (185)
VGX-1027

>  <Catalog Number> (185)
S7515

>  <Synonyms> (185)
GIT 27

>  <Target> (185)
Immunology & Inflammation related

>  <Form> (185)
Free Base

>  <URL> (185)
http://www.selleckchem.com/products/vgx-1027.html

>  <CAS Number> (185)
6501-72-0

$$$$
Y-320.cdx
csChFnd80/07161817412D

 36 40  0  0  0  0  0  0  0  0999 V2000
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 36 31  1  0  0  0  0
  8  9  3  0  0  0  0
M  END
>  <Mol_ID> (186)
2173

>  <Formula> (186)
C27H29ClN6O2

>  <MolWeight> (186)
505.01116

>  <Item Name> (186)
Y-320

>  <Catalog Number> (186)
S7516

>  <Synonyms> (186)
N/A

>  <Target> (186)
Immunology & Inflammation related

>  <Form> (186)
Free base

>  <URL> (186)
http://www.selleckchem.com/products/y-320.html

>  <CAS Number> (186)
288250-47-5

$$$$
MALT1 inhibitor.cdx
csChFnd80/07161817412D

 29 31  0  0  0  0  0  0  0  0999 V2000
    5.9558    3.1249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (187)
2248

>  <Formula> (187)
C19H17Cl3N4O3

>  <MolWeight> (187)
455.72228

>  <Item Name> (187)
MI-2 (MALT1 inhibitor)

>  <Catalog Number> (187)
S7429

>  <Synonyms> (187)
N/A

>  <Target> (187)
MALT

>  <Form> (187)
Free Base

>  <URL> (187)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

>  <CAS Number> (187)
1047953-91-2

$$$$
TAPI-1.cdx
csChFnd80/07161817412D

 36 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (188)
2250

>  <Formula> (188)
C26H37N5O5

>  <MolWeight> (188)
499.60248

>  <Item Name> (188)
TAPI-1

>  <Catalog Number> (188)
S7434

>  <Synonyms> (188)
N/A

>  <Target> (188)
Others

>  <Form> (188)
Free Base

>  <URL> (188)
http://www.selleckchem.com/products/tapi-1.html

>  <CAS Number> (188)
171235-71-5

$$$$
Promethazine hydrochloride.cdx
csChFnd80/07161817412D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (189)
2283

>  <Formula> (189)
C17H21ClN2S

>  <MolWeight> (189)
320.88004

>  <Item Name> (189)
Promethazine HCl

>  <Catalog Number> (189)
S4293

>  <Synonyms> (189)
N/A

>  <Target> (189)
Histamine Receptor

>  <Form> (189)
Hydrochloride

>  <URL> (189)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (189)
58-33-3

$$$$
Meclofenamate sodium.cdx
csChFnd80/07161817412D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 Na  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
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  8  9  2  0  0  0  0
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 13  8  1  0  0  0  0
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  4 17  1  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (190)
2304

>  <Formula> (190)
C14H10Cl2NNaO2

>  <MolWeight> (190)
318.13047

>  <Item Name> (190)
Meclofenamate sodium

>  <Catalog Number> (190)
S4295

>  <Synonyms> (190)
N/A

>  <Target> (190)
COX

>  <Form> (190)
Sodium Salt

>  <URL> (190)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (190)
6385-02-0

$$$$
Bepotastine besilate.cdx
csChFnd80/07161817412D

 37 39  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.0804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.6804    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    9.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   11.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    9.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.2804    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9541    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9541    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3748    1.3951    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
  1  6  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
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  1 10  1  0  0  0  0
 14 13  1  1  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
 14 15  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
 14 21  1  0  0  0  0
  4 13  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  2  0  0  0  0
M  END
>  <Mol_ID> (191)
2309

>  <Formula> (191)
C27H31ClN2O6S

>  <MolWeight> (191)
547.06284

>  <Item Name> (191)
Bepotastine Besilate

>  <Catalog Number> (191)
S3037

>  <Synonyms> (191)
N/A

>  <Target> (191)
Histamine Receptor

>  <Form> (191)
Besilate salt

>  <URL> (191)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (191)
190786-44-8

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/07161817412D

 58 61  0  0  0  0  0  0  0  0999 V2000
    2.4165   14.3134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6289   12.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.9134    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413   14.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   15.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   15.0109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   12.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   12.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   10.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   10.1182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (192)
2321

>  <Formula> (192)
C44H69NO12

>  <MolWeight> (192)
804.01816

>  <Item Name> (192)
Tacrolimus (FK506)

>  <Catalog Number> (192)
S5003

>  <Synonyms> (192)
FR900506

>  <Target> (192)
mTOR

>  <Form> (192)
Free Base

>  <URL> (192)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (192)
104987-11-3

$$$$
filgotinib.cdx
csChFnd80/07161817412D

 30 34  0  0  0  0  0  0  0  0999 V2000
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1206161-97-8

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JAK

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1369761-01-2

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csChFnd80/07161817412D

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74103-07-4

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ROS,CRM

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20069-09-4

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2436

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C29H35F3N2O3

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BAF312 (Siponimod)

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S7179

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N/A

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S1P Receptor

>  <Form> (198)
Free Base

>  <URL> (198)
http://www.selleckchem.com/products/baf312-siponimod.html

>  <CAS Number> (198)
1230487-00-9

$$$$
GKT137831.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (199)
2438

>  <Formula> (199)
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S7171

>  <Synonyms> (199)
N/A

>  <Target> (199)
NADPH oxidase

>  <Form> (199)
Free Base

>  <URL> (199)
http://www.selleckchem.com/products/gkt137831.html

>  <CAS Number> (199)
1218942-37-0

$$$$
Indoximod.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (200)
2446

>  <Formula> (200)
C12H14N2O2

>  <MolWeight> (200)
218.25176

>  <Item Name> (200)
Indoximod (NLG-8189)

>  <Catalog Number> (200)
S7756

>  <Synonyms> (200)
1-Methyl-D-tryptophan

>  <Target> (200)
IDO

>  <Form> (200)
Free Base

>  <URL> (200)
http://www.selleckchem.com/products/indoximod-nlg-8189.html

>  <CAS Number> (200)
110117-83-4

$$$$
Marimastat (BB-25.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (201)
2497

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N/A

>  <Target> (201)
MMP

>  <Form> (201)
Free Base

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

>  <CAS Number> (201)
154039-60-8

$$$$
Xanthohumol.cdx
csChFnd80/07161817412D

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C21H22O5

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Xanthohumol

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N/A

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COX

>  <Form> (202)
Free Base

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

>  <CAS Number> (202)
6754-58-1

$$$$
S4117.cdx
csChFnd80/07161817412D

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Histamine Phosphate

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N/A

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Histamine Receptor

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Free Base

>  <URL> (203)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (203)
51-74-1

$$$$
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csChFnd80/07161817412D

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2553

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C30H30CaO8

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>  <Item Name> (204)
Fenoprofen calcium hydrate

>  <Catalog Number> (204)
S3027

>  <Synonyms> (204)
N/A

>  <Target> (204)
Immunology & Inflammation related

>  <Form> (204)
Calcium dihydrate salt

>  <URL> (204)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (204)
71720-56-4

$$$$
Oltipraz.cdx
csChFnd80/07161817412D

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2568

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C8H6N2S3

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Oltipraz

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S7864

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N/A

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Nrf2

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Free Base

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

>  <CAS Number> (205)
64224-21-1

$$$$
Oleuropein.cdx
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N/A

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ROS

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Free Base

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

>  <CAS Number> (206)
32619-42-4

$$$$
Vidofludimus .cdx
csChFnd80/07161817412D

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   11.9544    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5544    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0544    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 19 20  2  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (207)
2582

>  <Formula> (207)
C20H18FNO4

>  <MolWeight> (207)
355.3596232

>  <Item Name> (207)
Vidofludimus

>  <Catalog Number> (207)
S7262

>  <Synonyms> (207)
SC12267, 4SC-101

>  <Target> (207)
Dehydrogenase

>  <Form> (207)
Free Base

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

>  <CAS Number> (207)
717824-30-1

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/07161817412D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6953    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (208)
2584

>  <Formula> (208)
C25H29N3O3

>  <MolWeight> (208)
419.51606

>  <Item Name> (208)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Catalog Number> (208)
S7912

>  <Synonyms> (208)
N/A

>  <Target> (208)
PD-1/PD-L1

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

>  <CAS Number> (208)
1675203-84-5

$$$$
PF 04418948.cdx
csChFnd80/07161817412D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2432    2.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6055    3.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2532    4.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8137    4.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0220    3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8137    5.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0220    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6551    1.6900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (209)
2591

>  <Formula> (209)
C23H20FNO5

>  <MolWeight> (209)
409.4070032

>  <Item Name> (209)
PF-04418948

>  <Catalog Number> (209)
S7211

>  <Synonyms> (209)
N/A

>  <Target> (209)
Immunology & Inflammation related

>  <Form> (209)
Free Base

>  <URL> (209)
http://www.selleckchem.com/products/pf-04418948.html

>  <CAS Number> (209)
1078166-57-0

$$$$
6-Mercaptopurine monohydrate.cdx
csChFnd80/07161817412D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
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  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (210)
2621

>  <Formula> (210)
C5H6N4OS

>  <MolWeight> (210)
170.19234

>  <Item Name> (210)
6-Mercaptopurine (6-MP) Monohydrate

>  <Catalog Number> (210)
S4504

>  <Synonyms> (210)
N/A

>  <Target> (210)
DNA/RNA Synthesis

>  <Form> (210)
Monohydrate

>  <URL> (210)
http://www.selleckchem.com/products/6-mercaptopurine-6-mp-monohydrate.html

>  <CAS Number> (210)
6112-76-1

$$$$
VTX-2337.cdx
csChFnd80/07161817412D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.6322    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    3.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1496    6.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7847    6.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0195    2.5382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0195    7.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3991    7.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5098    8.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9088    5.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2689    8.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6485    7.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5183    9.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2883    5.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7980    4.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  5 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 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 17  1  0  0  0  0
 21 25  1  0  0  0  0
 23 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
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (211)
2635

>  <Formula> (211)
C28H34N4O2

>  <MolWeight> (211)
458.59516

>  <Item Name> (211)
Motolimod (VTX-2337)

>  <Catalog Number> (211)
S7161

>  <Synonyms> (211)
N/A

>  <Target> (211)
TLR

>  <Form> (211)
Free Base

>  <URL> (211)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

>  <CAS Number> (211)
926927-61-9

$$$$
Resiquimod.cdx
csChFnd80/07161817412D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (212)
2651

>  <Formula> (212)
C17H22N4O2

>  <MolWeight> (212)
314.38218

>  <Item Name> (212)
Resiquimod

>  <Catalog Number> (212)
S8133

>  <Synonyms> (212)
R-848

>  <Target> (212)
TLR

>  <Form> (212)
Free Base

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

>  <CAS Number> (212)
144875-48-9

$$$$
Ozanimod.cdx
csChFnd80/07161817412D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (213)
2663

>  <Formula> (213)
C23H24N4O3

>  <MolWeight> (213)
404.46166

>  <Item Name> (213)
Ozanimod (RPC1063)

>  <Catalog Number> (213)
S7952

>  <Synonyms> (213)
N/A

>  <Target> (213)
S1P Receptor

>  <Form> (213)
Free Base

>  <URL> (213)
http://www.selleckchem.com/products/ozanimod-rpc1063.html

>  <CAS Number> (213)
1306760-87-1

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/07161817412D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (214)
2688

>  <Formula> (214)
C29H33NO5

>  <MolWeight> (214)
475.57602

>  <Item Name> (214)
PD-1/PD-L1 inhibitor 1

>  <Catalog Number> (214)
S7911

>  <Synonyms> (214)
N/A

>  <Target> (214)
PD-1/PD-L1

>  <Form> (214)
Free Base

>  <URL> (214)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

>  <CAS Number> (214)
1675201-83-8

$$$$
MCC950.cdx
csChFnd80/07161817412D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (215)
2692

>  <Formula> (215)
C20H23N2NaO5S

>  <MolWeight> (215)
426.46179

>  <Item Name> (215)
MCC950(CP-456773)

>  <Catalog Number> (215)
S7809

>  <Synonyms> (215)
CP-456773

>  <Target> (215)
Others

>  <Form> (215)
Free Base

>  <URL> (215)
http://www.selleckchem.com/products/mcc950-sodium-salt.html

>  <CAS Number> (215)
256373-96-3

$$$$
Oclacitinib maleate.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (216)
2702

>  <Formula> (216)
C19H27N5O6S

>  <MolWeight> (216)
453.51258

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Oclacitinib maleate

>  <Catalog Number> (216)
S8195

>  <Synonyms> (216)
PF-03394197

>  <Target> (216)
JAK

>  <Form> (216)
Free Base

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

>  <CAS Number> (216)
1640292-55-2

$$$$
Halofuginone.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (217)
2712

>  <Formula> (217)
C16H17BrClN3O3

>  <MolWeight> (217)
414.68148

>  <Item Name> (217)
Halofuginone

>  <Catalog Number> (217)
S8144

>  <Synonyms> (217)
N/A

>  <Target> (217)
Others

>  <Form> (217)
Free Base

>  <URL> (217)
http://www.selleckchem.com/products/halofuginone.html

>  <CAS Number> (217)
55837-20-2

$$$$
Ponesimod (ACT-128800).cdx
csChFnd80/07161817412D

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>  <Mol_ID> (218)
2726

>  <Formula> (218)
C23H25ClN2O4S

>  <MolWeight> (218)
460.9736

>  <Item Name> (218)
Ponesimod (ACT-128800)

>  <Catalog Number> (218)
S8241

>  <Synonyms> (218)
ACT-128800

>  <Target> (218)
S1P Receptor

>  <Form> (218)
Free Base

>  <URL> (218)
http://www.selleckchem.com/products/ponesimod-act-128800.html

>  <CAS Number> (218)
854107-55-4

$$$$
6-Benzylaminopurine.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (219)
2742

>  <Formula> (219)
C12H11N5

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225.24924

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S4511

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N/A

>  <Target> (219)
Others

>  <Form> (219)
Free Base

>  <URL> (219)
http://www.selleckchem.com/products/6-benzylaminopurine.html

>  <CAS Number> (219)
1214-39-7

$$$$
Fenbufen.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (220)
2745

>  <Formula> (220)
C16H14O3

>  <MolWeight> (220)
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Fenbufen

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S4526

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Lederfen, CL-82204

>  <Target> (220)
COX

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Free Base

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

>  <CAS Number> (220)
36330-85-5

$$$$
C-DIM12.cdx
csChFnd80/07161817412D

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    8.6584    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7216    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0278    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4604    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5236    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 11 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 12  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 18  1  0  0  0  0
M  END
>  <Mol_ID> (221)
2746

>  <Formula> (221)
C23H17ClN2

>  <MolWeight> (221)
356.84748

>  <Item Name> (221)
C-DIM12

>  <Catalog Number> (221)
S8097

>  <Synonyms> (221)
N/A

>  <Target> (221)
Immunology & Inflammation

>  <Form> (221)
Free Base

>  <URL> (221)
http://www.selleckchem.com/products/c-dim12.html

>  <CAS Number> (221)
178946-89-9

$$$$
Bucetin.cdx
csChFnd80/07161817412D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  3  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
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   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  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
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (222)
2770

>  <Formula> (222)
C12H17NO3

>  <MolWeight> (222)
223.26828

>  <Item Name> (222)
Bucetin

>  <Catalog Number> (222)
S4554

>  <Synonyms> (222)
N/A

>  <Target> (222)
Others

>  <Form> (222)
Free Base

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

>  <CAS Number> (222)
1083-57-4

$$$$
Salicylic acid.cdx
csChFnd80/07161817412D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (223)
2781

>  <Formula> (223)
C7H6O3

>  <MolWeight> (223)
138.12074

>  <Item Name> (223)
Salicylic acid

>  <Catalog Number> (223)
S4539

>  <Synonyms> (223)
2-Hydroxybenzoic acid

>  <Target> (223)
COX

>  <Form> (223)
Free Base

>  <URL> (223)
http://www.selleckchem.com/products/salicylic-acid.html

>  <CAS Number> (223)
69-72-7

$$$$
Idramantone.cdx
csChFnd80/07161817412D

 12 14  0  0  0  0  0  0  0  0999 V2000
    1.3305    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    2.1348    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0601    4.1540    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8689    2.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    3.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0737    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    3.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4935    4.1236    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  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (224)
2790

>  <Formula> (224)
C10H14O2

>  <MolWeight> (224)
166.21696

>  <Item Name> (224)
Idramantone

>  <Catalog Number> (224)
S4529

>  <Synonyms> (224)
Kemantane, 5-Hydroxy-2-adamantanone

>  <Target> (224)
Immunology & Inflammation related

>  <Form> (224)
Free Base

>  <URL> (224)
http://www.selleckchem.com/products/idramantone.html

>  <CAS Number> (224)
20098-14-0

$$$$
Carsalam.cdx
csChFnd80/07161817412D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4043    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    0.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    2.1325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    0.0000    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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (225)
2799

>  <Formula> (225)
C8H5NO3

>  <MolWeight> (225)
163.1302

>  <Item Name> (225)
Carsalam

>  <Catalog Number> (225)
S4555

>  <Synonyms> (225)
Carbonylsalicylamide

>  <Target> (225)
Antifection

>  <Form> (225)
Free Base

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

>  <CAS Number> (225)
2037-95-8

$$$$
S4580 Hydroquinone.cdx
csChFnd80/07161817412D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2042    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    5.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (226)
2838

>  <Formula> (226)
C6H6O2

>  <MolWeight> (226)
110.11064

>  <Item Name> (226)
Hydroquinone

>  <Catalog Number> (226)
S4580

>  <Synonyms> (226)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (226)
ROS

>  <Form> (226)
Free Base

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

>  <CAS Number> (226)
123-31-9

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/07161817412D

 29 27  0  0  0  0  0  0  0  0999 V2000
   12.1800    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3909    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1800    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9625    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3909    4.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6079    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9633    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3902    0.0037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7379    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6046    4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6079    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7367    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8242    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6046    6.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5238    0.0080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.0427    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8273    6.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2522    4.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0427    6.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2522    2.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2518    6.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4592    2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0433    2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4592    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0433    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9715    9.6392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5715    9.6392    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   23.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.8427    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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (227)
2845

>  <Formula> (227)
C20H28Cl3N3O3

>  <MolWeight> (227)
464.81362

>  <Item Name> (227)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (227)
S4589

>  <Synonyms> (227)
N/A

>  <Target> (227)
Transferase,Histone

>  <Form> (227)
dihydrochloride dihydrate

>  <URL> (227)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (227)
6398-98-7

$$$$
S4625 Alcaftadine.cdx
csChFnd80/07161817412D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.3905    6.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1118    7.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    5.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    5.5257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    7.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9377    6.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    4.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    1.3795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2438    7.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    3.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (228)
2848

>  <Formula> (228)
C19H21N3O

>  <MolWeight> (228)
307.38954

>  <Item Name> (228)
Alcaftadine

>  <Catalog Number> (228)
S4625

>  <Synonyms> (228)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (228)
Histamine Receptor

>  <Form> (228)
Free Base

>  <URL> (228)
http://www.selleckchem.com/products/alcaftadine.html

>  <CAS Number> (228)
147084-10-4

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/07161817412D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  4 10  2  0  0  0  0
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 11 17  1  0  0  0  0
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M  END
>  <Mol_ID> (229)
2852

>  <Formula> (229)
C23H20N2O3S

>  <MolWeight> (229)
404.4815

>  <Item Name> (229)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (229)
S4628

>  <Synonyms> (229)
G-28315, NSC 75925

>  <Target> (229)
COX

>  <Form> (229)
Free Base

>  <URL> (229)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (229)
57-96-5

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/07161817412D

 24 25  0  0  0  0  0  0  0  0999 V2000
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A   23
?1.5H2O?
M  END
>  <Mol_ID> (230)
2863

>  <Formula> (230)
C21H22ClNR

>  <MolWeight> (230)
323.85908

>  <Item Name> (230)
Cyproheptadine hydrochloride

>  <Catalog Number> (230)
S4635

>  <Synonyms> (230)
Periactin hydrochloride, Peritol

>  <Target> (230)
5-HT Receptor

>  <Form> (230)
Hydrochloride Sesquihydrate

>  <URL> (230)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

>  <CAS Number> (230)
41354-29-4

$$$$
S4603 Gallic acid.cdx
csChFnd80/07161817412D

 12 12  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
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M  END
>  <Mol_ID> (231)
2868

>  <Formula> (231)
C7H6O5

>  <MolWeight> (231)
170.11954

>  <Item Name> (231)
Gallic acid

>  <Catalog Number> (231)
S4603

>  <Synonyms> (231)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (231)
ROS

>  <Form> (231)
Free Base

>  <URL> (231)
http://www.selleckchem.com/products/gallic-acid.html

>  <CAS Number> (231)
149-91-7

$$$$
S4609 Diflunisal.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (232)
2869

>  <Formula> (232)
C13H8F2O3

>  <MolWeight> (232)
250.1976264

>  <Item Name> (232)
Diflunisal

>  <Catalog Number> (232)
S4609

>  <Synonyms> (232)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (232)
COX

>  <Form> (232)
Free Base

>  <URL> (232)
http://www.selleckchem.com/products/diflunisal.html

>  <CAS Number> (232)
22494-42-4

$$$$
S4656 Parecoxib.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (233)
2875

>  <Formula> (233)
C19H18N2O4S

>  <MolWeight> (233)
370.42222

>  <Item Name> (233)
Parecoxib

>  <Catalog Number> (233)
S4656

>  <Synonyms> (233)
SC-69124, Valus-P, Vorth-P

>  <Target> (233)
COX

>  <Form> (233)
Free Base

>  <URL> (233)
http://www.selleckchem.com/products/parecoxib.html

>  <CAS Number> (233)
198470-84-7

$$$$
S4606 Glutathione.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (234)
2891

>  <Formula> (234)
C10H17N3O6S

>  <MolWeight> (234)
307.32348

>  <Item Name> (234)
Glutathione

>  <Catalog Number> (234)
S4606

>  <Synonyms> (234)
Isethion, Glutathion, Tathion

>  <Target> (234)
Others

>  <Form> (234)
Free Base

>  <URL> (234)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (234)
70-18-8

$$$$
S4651 Etoricoxib.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (235)
2918

>  <Formula> (235)
C18H15ClN2O2S

>  <MolWeight> (235)
358.8419

>  <Item Name> (235)
Etoricoxib

>  <Catalog Number> (235)
S4651

>  <Synonyms> (235)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (235)
COX

>  <Form> (235)
Free  Base

>  <URL> (235)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (235)
202409-33-4

$$$$
S4646 Ciclesonide.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (236)
2920

>  <Formula> (236)
C32H44O7

>  <MolWeight> (236)
540.68756

>  <Item Name> (236)
Ciclesonide

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S4646

>  <Synonyms> (236)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (236)
Others

>  <Form> (236)
Free Base

>  <URL> (236)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (236)
126544-47-6

$$$$
S4682 Loxoprofen.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (237)
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>  <MolWeight> (237)
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>  <Item Name> (237)
Loxoprofen

>  <Catalog Number> (237)
S4682

>  <Synonyms> (237)
Koloxo, Loxoprofene, Loxoprofeno

>  <Target> (237)
COX

>  <Form> (237)
Free Base

>  <URL> (237)
http://www.selleckchem.com/products/loxoprofen.html

>  <CAS Number> (237)
68767-14-6

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/07161817412D

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   12.4714    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4714    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8963    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6839    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (238)
2932

>  <Formula> (238)
C20H23ClN2O5

>  <MolWeight> (238)
406.86002

>  <Item Name> (238)
arbinoxaMine Maleate

>  <Catalog Number> (238)
S4696

>  <Synonyms> (238)
N/A

>  <Target> (238)
Histamine Receptor

>  <Form> (238)
maleate

>  <URL> (238)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (238)
3505-38-2

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (239)
2945

>  <Formula> (239)
C26H27F4N3O7

>  <MolWeight> (239)
569.5020928

>  <Item Name> (239)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (239)
S7775

>  <Synonyms> (239)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (239)
Caspase

>  <Form> (239)
Free Base

>  <URL> (239)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (239)
254750-02-2

$$$$
S4706 Eugenol.cdx
csChFnd80/07161817412D

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    6.0462    2.0998    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
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M  END
>  <Mol_ID> (240)
2957

>  <Formula> (240)
C10H12O2

>  <MolWeight> (240)
164.20108

>  <Item Name> (240)
Eugenol

>  <Catalog Number> (240)
S4706

>  <Synonyms> (240)
4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol

>  <Target> (240)
Others

>  <Form> (240)
Free Base

>  <URL> (240)
http://www.selleckchem.com/products/eugenol.html

>  <CAS Number> (240)
97-53-0

$$$$
S4686 Escin.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (241)
2968

>  <Formula> (241)
C55H86O24

>  <MolWeight> (241)
1131.25694

>  <Item Name> (241)
Escin

>  <Catalog Number> (241)
S4690

>  <Synonyms> (241)
Aescin

>  <Target> (241)
Immunology & Inflammation related

>  <Form> (241)
Free Base

>  <URL> (241)
http://www.selleckchem.com/products/escin.html

>  <CAS Number> (241)
6805-41-0

$$$$
ATI-2341.cdx
csChFnd80/07161817412D

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1228585-88-3

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   10.4215    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9835    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
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  5  7  1  0  0  0  0
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 17 19  1  0  0  0  0
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M  END
>  <Mol_ID> (246)
3032

>  <Formula> (246)
C26H40O5

>  <MolWeight> (246)
432.5928

>  <Item Name> (246)
Latanoprost

>  <Catalog Number> (246)
S4709

>  <Synonyms> (246)
Xalatan, PhXA41, PHXA-41

>  <Target> (246)
GPR

>  <Form> (246)
Free Base

>  <URL> (246)
http://www.selleckchem.com/products/latanoprost.html

>  <CAS Number> (246)
130209-82-4

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/07161817412D

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  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (247)
3034

>  <Formula> (247)
C15H14O6

>  <MolWeight> (247)
290.26806

>  <Item Name> (247)
(+)-Catechin

>  <Catalog Number> (247)
S4722

>  <Synonyms> (247)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (247)
Others

>  <Form> (247)
Free Base

>  <URL> (247)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (247)
154-23-4

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/07161817412D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (248)
3035

>  <Formula> (248)
C15H14O6

>  <MolWeight> (248)
290.26806

>  <Item Name> (248)
(-)Epicatechin

>  <Catalog Number> (248)
S4723

>  <Synonyms> (248)
L-Epicatechin, (-)-Epicatechol

>  <Target> (248)
Others

>  <Form> (248)
Free Base

>  <URL> (248)
http://www.selleckchem.com/products/-epicatechin.html

>  <CAS Number> (248)
490-46-0

$$$$
AS101.cdx
csChFnd80/07161817412D

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.5257    1.2853    0.0000 Te  0  5  0  0  0  0  0  0  0  0  0  0
    6.3548    2.4248    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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  1  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (249)
3048

>  <Formula> (249)
C2H8Cl3NO2Te

>  <MolWeight> (249)
312.04942

>  <Item Name> (249)
AS101

>  <Catalog Number> (249)
S8301

>  <Synonyms> (249)
N/A

>  <Target> (249)
Others

>  <Form> (249)
Coordination Co

>  <URL> (249)
http://www.selleckchem.com/products/as101.html

>  <CAS Number> (249)
106566-58-9

$$$$
PD-1PD-L1 Inhibitor 3.cdx
csChFnd80/07161817412D

132139  0  0  0  0  0  0  0  0999 V2000
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C89H126N24O18S

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PD-1/PD-L1 Inhibitor 3

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S8158

>  <Synonyms> (250)
N/A

>  <Target> (250)
PD-1/PD-L1

>  <Form> (250)
Free Base

>  <URL> (250)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-3.html

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1629654-95-0

$$$$
NS-398 (NS398).cdx
csChFnd80/07161817412D

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C13H18N2O5S

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NS-398 (NS398)

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S8433

>  <Synonyms> (251)
N-(2-cyclohexyloxy-4-nitrophenyl)methane sulfonamide

>  <Target> (251)
COX

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/ns-398-ns398.html

>  <CAS Number> (251)
123653-11-2

$$$$
1400W.cdx
csChFnd80/07161817412D

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3120

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C10H17Cl2N3

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>  <Item Name> (252)
1400W 2HCl

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>  <Synonyms> (252)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (252)
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>  <Form> (252)
dihydrochloride

>  <URL> (252)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (252)
214358-33-5

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/07161817412D

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3164

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C15H18O2

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Atractylenolide I

>  <Catalog Number> (253)
S8291

>  <Synonyms> (253)
N/A

>  <Target> (253)
Immunology & Inflammation related

>  <Form> (253)
Free Base

>  <URL> (253)
http://www.selleckchem.com/products/atractylenolide-i.html

>  <CAS Number> (253)
73069-13-3
73069-13-3

$$$$
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    7.8891    7.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    8.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8822    8.3639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    4.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7386    4.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    5.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  2  0  0  0  0
  1 11  1  0  0  0  0
  2  7  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
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 11 19  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 23 27  2  0  0  0  0
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 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (254)
3193

>  <Formula> (254)
C28H30N2O8

>  <MolWeight> (254)
522.5464

>  <Item Name> (254)
Azatadine dimaleate

>  <Catalog Number> (254)
S3186

>  <Synonyms> (254)
SCH10649

>  <Target> (254)
Histamine Receptor

>  <Form> (254)
Dimaleate

>  <URL> (254)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (254)
3978-86-7

$$$$
Cl-amidine.cdx
csChFnd80/07161817412D

 28 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    5.5500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8783    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2734    1.3951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8783    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6701    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0865    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
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 15 16  1  0  0  0  0
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M  END
>  <Mol_ID> (255)
3200

>  <Formula> (255)
C16H20ClF3N4O4

>  <MolWeight> (255)
424.8026096

>  <Item Name> (255)
Cl-amidine

>  <Catalog Number> (255)
S8141

>  <Synonyms> (255)
N/A

>  <Target> (255)
Immunology & Inflammation related

>  <Form> (255)
trifluoroacetate

>  <URL> (255)
http://www.selleckchem.com/products/cl-amidine.html

>  <CAS Number> (255)
1043444-18-3

$$$$
DAPTA.cdx
csChFnd80/07161817412D

 64 64  0  0  0  0  0  0  0  0999 V2000
   23.0363    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.0363    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 C   0  0  1  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
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
 13  7  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
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 14 20  2  0  0  0  0
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 20 27  1  0  0  0  0
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 22 30  1  0  0  0  0
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 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
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 33 36  1  1  0  0  0
 34 37  1  0  0  0  0
 34 38  2  0  0  0  0
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 39 41  1  0  0  0  0
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 41 44  1  0  0  0  0
 41 45  2  0  0  0  0
 44 46  1  0  0  0  0
 44 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 47 50  1  1  0  0  0
 48 51  1  0  0  0  0
 48 52  2  0  0  0  0
 51 53  1  0  0  0  0
 51 54  1  6  0  0  0
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 54 56  1  0  0  0  0
 55 57  1  0  0  0  0
 55 58  2  0  0  0  0
 57 59  1  6  0  0  0
 57 60  1  0  0  0  0
 44 61  1  6  0  0  0
 37 62  1  1  0  0  0
 28 63  1  6  0  0  0
 13 64  1  1  0  0  0
M  END
>  <Mol_ID> (256)
3205

>  <Formula> (256)
C35H56N10O15

>  <MolWeight> (256)
856.87714

>  <Item Name> (256)
DAPTA

>  <Catalog Number> (256)
S8501

>  <Synonyms> (256)
D-Ala-peptide T-amide, peptide T

>  <Target> (256)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (256)
free base

>  <URL> (256)
http://www.selleckchem.com/products/dapta.html

>  <CAS Number> (256)
106362-34-9

$$$$
S4753  Ganoderic acid A.cdx
csChFnd80/07161817412D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.2939    3.5537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0590    2.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    4.9232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6361    3.0990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8882    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (257)
3208

>  <Formula> (257)
C30H44O7

>  <MolWeight> (257)
516.66616

>  <Item Name> (257)
Ganoderic acid A

>  <Catalog Number> (257)
S4753

>  <Synonyms> (257)
N/A

>  <Target> (257)
others

>  <Form> (257)
free base

>  <URL> (257)
http://www.selleckchem.com/products/ganoderic-acid-a.html

>  <CAS Number> (257)
81907-62-2

$$$$
Compstatin.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (258)
3211

>  <Formula> (258)
C66H99N23O17S2

>  <MolWeight> (258)
1550.76616

>  <Item Name> (258)
Compstatin

>  <Catalog Number> (258)
S8522

>  <Synonyms> (258)
N/A

>  <Target> (258)
complement component C3

>  <Form> (258)
free base

>  <URL> (258)
http://www.selleckchem.com/products/compstatin.html

>  <CAS Number> (258)
206645-99-0

$$$$
AUNP-12.cdx
csChFnd80/07161817412D

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PD-1

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http://www.selleckchem.com/products/aunp-12.html

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NLRP3 

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free base

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866028-26-4

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human H3 receptor,mouse H3 receptor,rat H3 r

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free base

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862896-30-8

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   10.9119    7.0000    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
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 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
  7 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  1  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
 10 29  1  1  0  0  0
 11 30  1  1  0  0  0
 18 31  1  1  0  0  0
 17 32  1  1  0  0  0
 12 33  1  6  0  0  0
 24 34  2  0  0  0  0
 24 35  1  0  0  0  0
 28 36  2  0  0  0  0
M  END
>  <Mol_ID> (262)
3284

>  <Formula> (262)
C29H36O6

>  <MolWeight> (262)
480.59254

>  <Item Name> (262)
Demethylzeylasteral (T-96)

>  <Catalog Number> (262)
S3608

>  <Synonyms> (262)
N/A

>  <Target> (262)
UGT1A6,UGT2B7

>  <Form> (262)
free base

>  <URL> (262)
http://www.selleckchem.com/products/demethylzeylasteral-t-96.html

>  <CAS Number> (262)
107316-88-1

$$$$
S3616 Asiaticoside.cdx
csChFnd80/07161817412D

 70 77  0  0  0  0  0  0  0  0999 V2000
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   12.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940   12.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   16.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   12.9846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.9012    8.5975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   13.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9405   11.5905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5725    7.7434    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
  1  3  1  0  0  0  0
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  4  9  1  0  0  0  0
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 16  9  1  1  0  0  0
 11 14  1  0  0  0  0
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 14 20  1  6  0  0  0
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 17 24  1  0  0  0  0
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 19 23  1  0  0  0  0
 21 26  1  0  0  0  0
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 22 28  1  6  0  0  0
 23 29  1  0  0  0  0
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 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 29 36  1  1  0  0  0
 30 34  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  6  0  0  0
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 34 67  1  6  0  0  0
 35 40  1  0  0  0  0
 41 37  1  1  0  0  0
 39 42  1  0  0  0  0
 39 43  1  1  0  0  0
 40 44  1  6  0  0  0
 40 42  1  0  0  0  0
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 42 47  1  1  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  6  0  0  0
 48 51  1  0  0  0  0
 48 52  1  1  0  0  0
 49 53  1  1  0  0  0
 49 51  1  0  0  0  0
 51 54  1  6  0  0  0
 55 54  1  1  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56 59  1  6  0  0  0
 57 60  1  0  0  0  0
 58 61  1  0  0  0  0
 58 62  1  6  0  0  0
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 39 68  1  6  0  0  0
 68 69  1  0  0  0  0
 52 70  1  0  0  0  0
M  END
>  <Mol_ID> (263)
3306

>  <Formula> (263)
C48H78O19

>  <MolWeight> (263)
959.12152

>  <Item Name> (263)
Asiaticoside

>  <Catalog Number> (263)
S3616

>  <Synonyms> (263)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (263)
Others

>  <Form> (263)
free base

>  <URL> (263)
http://www.selleckchem.com/products/asiaticoside.html

>  <CAS Number> (263)
16830-15-2

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/07161817412D

  6  4  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926    0.7480    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
A    6
?0.5H2SO4?
M  END
>  <Mol_ID> (264)
3308

>  <Formula> (264)
C2H6N2RS

>  <MolWeight> (264)
90.14744

>  <Item Name> (264)
(S)-Methylisothiourea sulfate

>  <Catalog Number> (264)
S3631

>  <Synonyms> (264)
N/A

>  <Target> (264)
iNOS

>  <Form> (264)
sulfate

>  <URL> (264)
http://www.selleckchem.com/products/s-methylisothiourea-sulfate.html

>  <CAS Number> (264)
867-44-7

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/07161817412D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  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    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (265)
3309

>  <Formula> (265)
C3Cl3N3O3

>  <MolWeight> (265)
232.4094

>  <Item Name> (265)
Trichloroisocyanuric acid

>  <Catalog Number> (265)
S3632

>  <Synonyms> (265)
N/A

>  <Target> (265)
Others

>  <Form> (265)
free base

>  <URL> (265)
http://www.selleckchem.com/products/trichloroisocyanuric-acid.html

>  <CAS Number> (265)
87-90-1

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/07161817412D

 65 69  0  0  0  0  0  0  0  0999 V2000
   13.3576    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3576    5.5532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7147    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4287    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8752    9.1247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    5.5710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0894    6.9818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    3.4637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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3311

>  <Formula> (266)
C42H68N2O16

>  <MolWeight> (266)
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>  <Item Name> (266)
Diammonium Glycyrrhizinate

>  <Catalog Number> (266)
S3622

>  <Synonyms> (266)
N/A

>  <Target> (266)
Others

>  <Form> (266)
ammonium salt 

>  <URL> (266)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (266)
79165-06-3

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/07161817412D

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>  <Mol_ID> (267)
3328

>  <Formula> (267)
C14H21NO3S

>  <MolWeight> (267)
283.38644

>  <Item Name> (267)
Reparixin (Repertaxin)

>  <Catalog Number> (267)
S8640

>  <Synonyms> (267)
N/A

>  <Target> (267)
CXCR1,CXCR2,CXCL8

>  <Form> (267)
free base

>  <URL> (267)
http://www.selleckchem.com/products/reparixin-repertaxin.html

>  <CAS Number> (267)
266359-83-5

$$$$
S3668 Thymopentin.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (268)
3343

>  <Formula> (268)
C30H49N9O9

>  <MolWeight> (268)
679.76496

>  <Item Name> (268)
Thymopentin

>  <Catalog Number> (268)
S3668

>  <Synonyms> (268)
TP5

>  <Target> (268)
Immunology & Inflammation related

>  <Form> (268)
free base

>  <URL> (268)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (268)
69558-55-0

$$$$
S3120 Doxepin hydrochloride.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (269)
3349

>  <Formula> (269)
C19H22ClNO

>  <MolWeight> (269)
315.83708

>  <Item Name> (269)
Doxepin hydrochloride

>  <Catalog Number> (269)
S3120

>  <Synonyms> (269)
N/A

>  <Target> (269)
CYP2D6

>  <Form> (269)
hydrochloride

>  <URL> (269)
http://www.selleckchem.com/products/doxepin-hydrochloride-sinequan.html

>  <CAS Number> (269)
1229-29-4

$$$$
S3726 Selexipag.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (270)
3358

>  <Formula> (270)
C26H32N4O4S

>  <MolWeight> (270)
496.62168

>  <Item Name> (270)
Selexipag

>  <Catalog Number> (270)
S3726

>  <Synonyms> (270)
NS-304, ACT-293987

>  <Target> (270)
prostacyclin IP receptor

>  <Form> (270)
free base

>  <URL> (270)
http://www.selleckchem.com/products/selexipag.html

>  <CAS Number> (270)
475086-01-2

$$$$
S3648 Amlexanox.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (271)
3370

>  <Formula> (271)
C16H14N2O4

>  <MolWeight> (271)
298.29336

>  <Item Name> (271)
Amlexanox

>  <Catalog Number> (271)
S3648

>  <Synonyms> (271)
AA-673, CHX-3673

>  <Target> (271)
TBK1,IKK-¦Å

>  <Form> (271)
free base

>  <URL> (271)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (271)
68302-57-8

$$$$
S3659 Fludrocortisone (acetate).cdx
csChFnd80/07161817412D

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>  <Mol_ID> (272)
3378

>  <Formula> (272)
C23H31FO6

>  <MolWeight> (272)
422.4870432

>  <Item Name> (272)
Fludrocortisone acetate

>  <Catalog Number> (272)
S3659

>  <Synonyms> (272)
9¦Á-fluorocortisol acetate

>  <Target> (272)
others

>  <Form> (272)
free base

>  <URL> (272)
http://www.selleckchem.com/products/fludrocortisone-acetate.html

>  <CAS Number> (272)
514-36-3

$$$$
S3721 Bilastine.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (273)
3397

>  <Formula> (273)
C28H37N3O3

>  <MolWeight> (273)
463.61168

>  <Item Name> (273)
Bilastine

>  <Catalog Number> (273)
S3721

>  <Synonyms> (273)
N/A

>  <Target> (273)
H1 receptor

>  <Form> (273)
free base

>  <URL> (273)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (273)
202189-78-4

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/07161817412D

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M  END
>  <Mol_ID> (274)
3404

>  <Formula> (274)
C17H17N3Na2O8

>  <MolWeight> (274)
437.31172

>  <Item Name> (274)
Balsalazide disodium

>  <Catalog Number> (274)
S3745

>  <Synonyms> (274)
N/A

>  <Target> (274)
Immunology & Inflammation related

>  <Form> (274)
disodium salt dihydrate

>  <URL> (274)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (274)
150399-21-6

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/07161817412D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (275)
3406

>  <Formula> (275)
C12H8ClI

>  <MolWeight> (275)
314.54939

>  <Item Name> (275)
Diphenyleneiodonium chloride (DPI)

>  <Catalog Number> (275)
S8639

>  <Synonyms> (275)
N/A

>  <Target> (275)
NADPH oxidase

>  <Form> (275)
chloride

>  <URL> (275)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

>  <CAS Number> (275)
4673-26-1

$$$$
LY2510924.cdx
csChFnd80/07161817412D

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C62H88N14O10

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LY2510924

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>  <Target> (276)
CXCR4

>  <Form> (276)
free base

>  <URL> (276)
http://www.selleckchem.com/products/ly2510924.html

>  <CAS Number> (276)
1088715-84-7

$$$$
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csChFnd80/07161817412D

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3421

>  <Formula> (277)
C14H12O2

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>  <Item Name> (277)
4-Biphenylacetic acid

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S3685

>  <Synonyms> (277)
BPA

>  <Target> (277)
Immunology & Inflammation related

>  <Form> (277)
free base

>  <URL> (277)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (277)
5728-52-9

$$$$
S3680 NLRP3 Inflammasome Inhibitor I.cdx
csChFnd80/07161817412D

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3426

>  <Formula> (278)
C16H17ClN2O4S

>  <MolWeight> (278)
368.83518

>  <Item Name> (278)
NLRP3 Inflammasome Inhibitor I

>  <Catalog Number> (278)
S3680

>  <Synonyms> (278)
N/A

>  <Target> (278)
NLRP3 inflammasome

>  <Form> (278)
free base

>  <URL> (278)
http://www.selleckchem.com/products/nlrp3-Inflammasome-inhibitor-i.html

>  <CAS Number> (278)
16673-34-0

$$$$
CA-4948.cdx
csChFnd80/07161817412D

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3453

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C21H19N7O3

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417.42066

>  <Item Name> (279)
CA-4948

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S8562

>  <Synonyms> (279)
N/A

>  <Target> (279)
IRAK4

>  <Form> (279)
free base

>  <URL> (279)
http://www.selleckchem.com/products/ca-4948.html

>  <CAS Number> (279)
1801343-74-7

$$$$
BAY 1895344.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (280)
3470

>  <Formula> (280)
C20H22ClN7O

>  <MolWeight> (280)
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>  <Item Name> (280)
BAY 1895344

>  <Catalog Number> (280)
S8666

>  <Synonyms> (280)
N/A

>  <Target> (280)
ATR

>  <Form> (280)
hydrochloride

>  <URL> (280)
http://www.selleckchem.com/products/bay-1895344.html

>  <CAS Number> (280)
1876467-74-1(free base)

$$$$
S3956 Tetramethylpyrazine.cdx
csChFnd80/07161817412D

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3493

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Tetramethylpyrazine

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ligustrazine

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PDE

>  <Form> (281)
free base

>  <URL> (281)
http://www.selleckchem.com/products/tetramethylpyrazine.html

>  <CAS Number> (281)
1124-11-4

$$$$
S3761 Eucalyptol.cdx
csChFnd80/07161817412D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (282)
3499

>  <Formula> (282)
C10H18O

>  <MolWeight> (282)
154.24932

>  <Item Name> (282)
Eucalyptol

>  <Catalog Number> (282)
S3761

>  <Synonyms> (282)
1,8-cineol; 1,8-cineole|cajeputol; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cineol; cineole

>  <Target> (282)
Others

>  <Form> (282)
free base

>  <URL> (282)
http://www.selleckchem.com/products/eucalyptol.html

>  <CAS Number> (282)
470-82-6

$$$$
S3823 Schizandrol A.cdx
csChFnd80/07161817412D

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 23 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (283)
3511

>  <Formula> (283)
C24H32O7

>  <MolWeight> (283)
432.50668

>  <Item Name> (283)
Schizandrol A

>  <Catalog Number> (283)
S3823

>  <Synonyms> (283)
N/A

>  <Target> (283)
Others

>  <Form> (283)
free base

>  <URL> (283)
http://www.selleckchem.com/products/schizandrol-a.html

>  <CAS Number> (283)
7432-28-2

$$$$
S3824 Quercitrin.cdx
csChFnd80/07161817412D

 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
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 12  6  1  1  0  0  0
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 26 29  1  0  0  0  0
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M  END
>  <Mol_ID> (284)
3512

>  <Formula> (284)
C21H20O11

>  <MolWeight> (284)
448.3769

>  <Item Name> (284)
Quercitrin

>  <Catalog Number> (284)
S3824

>  <Synonyms> (284)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (284)
Others

>  <Form> (284)
free base

>  <URL> (284)
http://www.selleckchem.com/products/quercitrin.html

>  <CAS Number> (284)
522-12-3

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/07161817412D

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (285)
3515

>  <Formula> (285)
C10H18O3

>  <MolWeight> (285)
186.24812

>  <Item Name> (285)
Royal jelly acid

>  <Catalog Number> (285)
S3827

>  <Synonyms> (285)
10-Hydroxy-trans-2-decenoic acid, 10H2DA|

>  <Target> (285)
Others

>  <Form> (285)
free base

>  <URL> (285)
http://www.selleckchem.com/products/royal-jelly-acid.html

>  <CAS Number> (285)
14113-05-4

$$$$
S3829 Isoalantolactone.cdx
csChFnd80/07161817412D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.2875    3.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  6  1  0  0  0  0
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (286)
3517

>  <Formula> (286)
C15H20O2

>  <MolWeight> (286)
232.3181

>  <Item Name> (286)
Isoalantolactone

>  <Catalog Number> (286)
S3829

>  <Synonyms> (286)
N/A

>  <Target> (286)
Others

>  <URL> (286)
http://www.selleckchem.com/products/isoalantolactone.html

>  <CAS Number> (286)
470-17-7

$$$$
S3834 Astaxanthin.cdx
csChFnd80/07161817412D

 44 45  0  0  0  0  0  0  0  0999 V2000
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    7.2746    4.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    4.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    5.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1948    6.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2949    4.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    4.8156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   30.3109    2.7156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    5.5156    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
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  2  6  1  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
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  6  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 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
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 36 41  1  0  0  0  0
 37 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 42  1  0  0  0  0
 42 44  1  6  0  0  0
M  END
>  <Mol_ID> (287)
3519

>  <Formula> (287)
C40H52O4

>  <MolWeight> (287)
596.83848

>  <Item Name> (287)
Astaxanthin

>  <Catalog Number> (287)
S3834

>  <Synonyms> (287)
¦Â-Carotene-4,4'-dione, trans-Astaxanthin

>  <Target> (287)
Others

>  <Form> (287)
free base

>  <URL> (287)
http://www.selleckchem.com/products/astaxanthin.html

>  <CAS Number> (287)
472-61-7

$$$$
S3835 Loganin.cdx
csChFnd80/07161817412D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.2655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.6655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.5655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5183    6.8329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.5183    9.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    7.9655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    8.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7034   10.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864    5.5036    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  1  0  0  0  0
  1 27  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 28  1  1  0  0  0
  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
 12  7  1  1  0  0  0
  8 10  1  0  0  0  0
  9 13  1  1  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  6  0  0  0
 19 22  1  0  0  0  0
 19 23  1  1  0  0  0
 20 24  1  1  0  0  0
 20 22  1  0  0  0  0
 22 25  1  6  0  0  0
 23 26  1  0  0  0  0
  4 29  1  1  0  0  0
M  END
>  <Mol_ID> (288)
3520

>  <Formula> (288)
C17H26O10

>  <MolWeight> (288)
390.38234

>  <Item Name> (288)
Loganin

>  <Catalog Number> (288)
S3835

>  <Synonyms> (288)
Loganoside

>  <Target> (288)
AChE,BACE1,BChE

>  <Form> (288)
free base

>  <URL> (288)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (288)
18524-94-2

$$$$
S3838 Carnosic acid.cdx
csChFnd80/07161817412D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0439    4.2039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8345    3.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    3.4901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0439    5.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5972    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  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 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 16  1  0  0  0  0
  8 14  1  0  0  0  0
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  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 17  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
 15 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (289)
3522

>  <Formula> (289)
C20H28O4

>  <MolWeight> (289)
332.43392

>  <Item Name> (289)
Carnosic acid

>  <Catalog Number> (289)
S3838

>  <Synonyms> (289)
salvin

>  <Target> (289)
Others

>  <Form> (289)
free base

>  <URL> (289)
http://www.selleckchem.com/products/carnosic-acid.html

>  <CAS Number> (289)
3650-09-7

$$$$
S3840 Baohuoside I.cdx
csChFnd80/07161817412D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  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
    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 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
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (290)
3523

>  <Formula> (290)
C27H30O10

>  <MolWeight> (290)
514.5211

>  <Item Name> (290)
Baohuoside I

>  <Catalog Number> (290)
S3840

>  <Synonyms> (290)
Icariside II

>  <Target> (290)
ROS

>  <URL> (290)
http://www.selleckchem.com/products/baohuoside-i.html

>  <CAS Number> (290)
113558-15-9

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/07161817412D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0606    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4289    0.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9104    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1228    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3352    4.2000    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
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 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
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M  END
>  <Mol_ID> (291)
3524

>  <Formula> (291)
C17H24O9

>  <MolWeight> (291)
372.36706

>  <Item Name> (291)
Eleutheroside B

>  <Catalog Number> (291)
S3841

>  <Synonyms> (291)
syringin, Syringoside, Lilacin

>  <Target> (291)
Others

>  <Form> (291)
free base

>  <URL> (291)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (291)
118-34-3

$$$$
S3968 Histamine.cdx
csChFnd80/07161817412D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 N   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  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (292)
3528

>  <Formula> (292)
C5H9N3

>  <MolWeight> (292)
111.14506

>  <Item Name> (292)
Histamine

>  <Catalog Number> (292)
S3968

>  <Synonyms> (292)
N/A

>  <Target> (292)
Histamine receptor

>  <Form> (292)
free base

>  <URL> (292)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (292)
51-45-6

$$$$
S3774 Dehydroandrographolide Succinate Potasium Salt.cdx
csChFnd80/07161817412D

 40 41  0  0  0  0  0  0  0  0999 V2000
    8.4854    6.7480    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4834    9.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    8.8433    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6729    7.4369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8965    6.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1169    7.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    8.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    9.5392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9124   10.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1277   11.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1277   13.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2635   13.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8348   15.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301   15.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  4 17  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  2  0  0  0  0
  8  9  1  6  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 15 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 34  1  0  0  0  0
 22 37  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  6  0  0  0
 26 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 28  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 31 33  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (293)
3537

>  <Formula> (293)
C28H35KO10

>  <MolWeight> (293)
570.6698

>  <Item Name> (293)
Dehydroandrographolide Succinate Potasium Sa

>  <Catalog Number> (293)
S3774

>  <Synonyms> (293)
N/A

>  <Target> (293)
Immunology & Inflammation

>  <Form> (293)
potassium salt

>  <URL> (293)
http://www.selleckchem.com/products/dehydroandrographolide-succinate-potasium-salt.html

>  <CAS Number> (293)
76958-99-1

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/07161817412D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   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
    5.6000    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6000    4.8497    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.6373    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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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  7 11  1  0  0  0  0
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 14  8  1  0  0  0  0
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  1 16  1  0  0  0  0
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 13 18  1  0  0  0  0
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 21  9  1  0  0  0  0
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 18 23  1  0  0  0  0
 16 24  1  0  0  0  0
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M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (294)
3543

>  <Formula> (294)
C19H24ClNO4

>  <MolWeight> (294)
365.85116

>  <Item Name> (294)
Sinomenine hydrochloride

>  <Catalog Number> (294)
S3758

>  <Synonyms> (294)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (294)
Immunology & Inflammation

>  <Form> (294)
hydrochloride

>  <URL> (294)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (294)
6080-33-7

$$$$
S3788 Carvacrol.cdx
csChFnd80/07161817412D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4248    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
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  1  6  2  0  0  0  0
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  8 10  1  0  0  0  0
  5  8  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (295)
3546

>  <Formula> (295)
C10H14O

>  <MolWeight> (295)
150.21756

>  <Item Name> (295)
Carvacrol

>  <Catalog Number> (295)
S3788

>  <Synonyms> (295)
cymophenol

>  <Target> (295)
Others

>  <Form> (295)
free base

>  <URL> (295)
http://www.selleckchem.com/products/carvacrol.html

>  <CAS Number> (295)
499-75-2

$$$$
S3783 Echinacoside.cdx
csChFnd80/07161817412D

 55 59  0  0  0  0  0  0  0  0999 V2000
    9.7655    7.3069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4955    6.1066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4383    8.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3657    7.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8638    6.1068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7941    4.8950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8689    8.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7397    9.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    8.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5767    7.3146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5623    4.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4954    3.6771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4391   10.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6781    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4788    1.2519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.6101    2.4449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3857   13.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0781    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140    1.2133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.0101    2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   14.5702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.6125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
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 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (296)
3550

>  <Formula> (296)
C35H46O20

>  <MolWeight> (296)
786.72774

>  <Item Name> (296)
Echinacoside

>  <Catalog Number> (296)
S3783

>  <Synonyms> (296)
N/A

>  <Target> (296)
Others

>  <Form> (296)
free base

>  <URL> (296)
http://www.selleckchem.com/products/echinacoside.html

>  <CAS Number> (296)
82854-37-3

$$$$
S3932 Astilbin.cdx
csChFnd80/07161817412D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0942    6.3287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0942    4.9251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3308    7.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941    7.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3308    4.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5308    6.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3308    8.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732    6.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941    2.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1355    1.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295   10.5515    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  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  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  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  6  0  0  0
  7 13  2  0  0  0  0
  8 14  1  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
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 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
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 20 21  1  0  0  0  0
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 25 30  1  1  0  0  0
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 28 31  1  6  0  0  0
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M  END
>  <Mol_ID> (297)
3560

>  <Formula> (297)
C21H22O11

>  <MolWeight> (297)
450.39278

>  <Item Name> (297)
Astilbin

>  <Catalog Number> (297)
S3932

>  <Synonyms> (297)
Isoastilbin, Neoastilbin, Neoisoastilbin, Taxifolin 3-O-rhamnoside, Taxifolin 3-rhamnoside

>  <Target> (297)
Immunology & Inflammation related

>  <Form> (297)
free base

>  <URL> (297)
http://www.selleckchem.com/products/astilbin.html

>  <CAS Number> (297)
29838-67-3

$$$$
S3757 2'-Deoxyinosine.cdx
csChFnd80/07161817412D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    2.4196    5.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    3.8724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5849    6.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    7.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    4.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    2.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    7.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    7.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    1.6064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4829    2.0314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0163    7.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    9.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115    1.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  1  0  0  0
 12 13  1  0  0  0  0
 13 17  1  6  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (298)
3566

>  <Formula> (298)
C10H12N4O4

>  <MolWeight> (298)
252.22668

>  <Item Name> (298)
2'-Deoxyinosine

>  <Catalog Number> (298)
S3757

>  <Synonyms> (298)
Guanine deoxyriboside, Deoxyinosine

>  <Target> (298)
Others

>  <Form> (298)
free base

>  <URL> (298)
http://www.selleckchem.com/products/2-deoxyinosine.html

>  <CAS Number> (298)
890-38-0

$$$$
S3871 Muscone.cdx
csChFnd80/07161817412D

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.2250    2.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1389    3.1270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4454    2.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973    2.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517    4.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    2.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4454    4.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9938    3.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5951    3.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4756    0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    0.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839    0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (299)
3569

>  <Formula> (299)
C16H30O

>  <MolWeight> (299)
238.4088

>  <Item Name> (299)
Muscone

>  <Catalog Number> (299)
S3871

>  <Synonyms> (299)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (299)
Immunology & Inflammation

>  <Form> (299)
free base

>  <URL> (299)
http://www.selleckchem.com/products/muscone.html

>  <CAS Number> (299)
541-91-3

$$$$
S3837 Echinocystic acid.cdx
csChFnd80/07161817412D

 37 41  0  0  0  0  0  0  0  0999 V2000
    9.7780    5.5715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5296    6.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7780    4.1614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9728    6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9728    4.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299    5.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5296    7.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5099    3.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9925    7.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1492    3.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    5.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956    4.1811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1059    6.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7780    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1059    3.5053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2956    2.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650    5.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3706    9.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    9.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650    4.1811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1059    2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6969    3.4858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  5  1  1  0  0  0
  1  2  1  0  0  0  0
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  3  8  1  0  0  0  0
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  8 12  1  0  0  0  0
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 12 15  1  0  0  0  0
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 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 37  1  1  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 32  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
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 24 33  1  6  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 35  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (300)
3573

>  <Formula> (300)
C30H48O4

>  <MolWeight> (300)
472.69972

>  <Item Name> (300)
Echinocystic acid

>  <Catalog Number> (300)
S3837

>  <Synonyms> (300)
N/A

>  <Target> (300)
Immunology & Inflammation

>  <Form> (300)
free base

>  <URL> (300)
http://www.selleckchem.com/products/echinocystic-acid.html

>  <CAS Number> (300)
510-30-5

$$$$
S3846 Eupatilin.cdx
csChFnd80/07161817412D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4324    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    4.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    4.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4564    0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6655    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6796    2.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8886    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8815    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0836    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3068    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3139    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0977    2.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0384    6.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6272    6.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 21  2  0  0  0  0
 11 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 15 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (301)
3575

>  <Formula> (301)
C18H16O7

>  <MolWeight> (301)
344.31544

>  <Item Name> (301)
Eupatilin

>  <Catalog Number> (301)
S3846

>  <Synonyms> (301)
NSC 122413

>  <Target> (301)
Others

>  <Form> (301)
free base

>  <URL> (301)
http://www.selleckchem.com/products/eupatilin.html

>  <CAS Number> (301)
22368-21-4

$$$$
S3848 Hydroxytyrosol Acetate.cdx
csChFnd80/07161817412D

 14 14  0  0  0  0  0  0  0  0999 V2000
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7999    0.0000 O   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
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
 12  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (302)
3576

>  <Formula> (302)
C10H12O4

>  <MolWeight> (302)
196.19988

>  <Item Name> (302)
Hydroxytyrosol Acetate

>  <Catalog Number> (302)
S3848

>  <Synonyms> (302)
HTy-Ac

>  <Target> (302)
Others

>  <Form> (302)
free base

>  <URL> (302)
http://www.selleckchem.com/products/hydroxytyrosol-acetate.html

>  <CAS Number> (302)
69039-02-7

$$$$
S4766 Gibberellic acid.cdx
csChFnd80/07161817412D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.0513    4.4188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4356    4.5089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7071    3.0620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3133    5.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    3.2067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3077    5.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    2.3267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3503    2.6905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7139    4.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6971    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    3.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9137    1.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6921    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    0.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    3.6720    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0100    4.6769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2159    4.1022    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4036    2.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502    0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4960    1.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733    5.8612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  5  1  0  0  0  0
  2  6  1  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 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
  6  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  9 16  1  0  0  0  0
  9 10  1  6  0  0  0
  9 26  1  0  0  0  0
 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  1  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  1  0  0  0
 18 23  1  6  0  0  0
 18 19  1  1  0  0  0
 19 24  2  0  0  0  0
  2 27  1  1  0  0  0
M  CFW  22 BOND_GSTEREO 5
M  END
>  <Mol_ID> (303)
3577

>  <Formula> (303)
C19H22O6

>  <MolWeight> (303)
346.37438

>  <Item Name> (303)
Gibberellic acid

>  <Catalog Number> (303)
S4766

>  <Synonyms> (303)
Gibberellin, Gibberellin A3, GA3

>  <Target> (303)
Others

>  <Form> (303)
free base

>  <URL> (303)
http://www.selleckchem.com/products/gibberellic-acid.html

>  <CAS Number> (303)
77-06-5

$$$$
S3948 Spermine.cdx
csChFnd80/07161817412D

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (304)
3578

>  <Formula> (304)
C10H26N4

>  <MolWeight> (304)
202.34024

>  <Item Name> (304)
Spermine

>  <Catalog Number> (304)
S3948

>  <Synonyms> (304)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (304)
Others

>  <Form> (304)
free base

>  <URL> (304)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (304)
71-44-3

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/07161817412D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.8345    2.1470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2345    2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808    0.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    3.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.0000    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  6  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (305)
3581

>  <Formula> (305)
C3H6N2O2

>  <MolWeight> (305)
102.09194

>  <Item Name> (305)
L-Cycloserine

>  <Catalog Number> (305)
S3945

>  <Synonyms> (305)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (305)
3-ketodihydrosphingosine synthetase

>  <Form> (305)
free base

>  <URL> (305)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (305)
339-72-0

$$$$
S3893 Bornyl acetate.cdx
csChFnd80/07161817412D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4135    2.8407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0127    1.9180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6825    4.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581    3.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3335    2.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    2.1206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6052    5.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    5.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3200    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6676    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9590    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992    0.6804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (306)
3582

>  <Formula> (306)
C12H20O2

>  <MolWeight> (306)
196.286

>  <Item Name> (306)
Bornyl acetate

>  <Catalog Number> (306)
S3893

>  <Synonyms> (306)
 Isobornyl acetate, Bornyl acetic ether, 2-Camphanol acetate

>  <Target> (306)
Immunology & Inflammation

>  <Form> (306)
free base

>  <URL> (306)
http://www.selleckchem.com/products/bornyl-acetate.html

>  <CAS Number> (306)
76-49-3

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/07161817412D

 27 24  0  0  0  0  0  0  0  0999 V2000
   14.4179    1.7498    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   13.3505    3.0039    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1744    3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9389    3.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1744    5.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272    3.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    3.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2805    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0570    3.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8573    3.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457    3.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    3.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3400    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1638    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9284    0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1638    2.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2699    0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 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  2  0  0  0  0
M  END
>  <Mol_ID> (307)
3584

>  <Formula> (307)
C22H38O4Zn

>  <MolWeight> (307)
431.92472

>  <Item Name> (307)
Zinc Undecylenate

>  <Catalog Number> (307)
S3979

>  <Synonyms> (307)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (307)
Antifection

>  <Form> (307)
zinc salt

>  <URL> (307)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (307)
557-08-4

$$$$
S3885 Pyrogallol.cdx
csChFnd80/07161817412D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4213    1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.2038    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
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (308)
3587

>  <Formula> (308)
C6H6O3

>  <MolWeight> (308)
126.11004

>  <Item Name> (308)
Pyrogallol

>  <Catalog Number> (308)
S3885

>  <Synonyms> (308)
1,2,3-trihydroxybenzene

>  <Target> (308)
ROS

>  <Form> (308)
free base

>  <URL> (308)
http://www.selleckchem.com/products/pyrogallol.html

>  <CAS Number> (308)
87-66-1

$$$$
S3892 Isopsoralen.cdx
csChFnd80/07161817412D

 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> (309)
3594

>  <Formula> (309)
C11H6O3

>  <MolWeight> (309)
186.16354

>  <Item Name> (309)
Isopsoralen

>  <Catalog Number> (309)
S3892

>  <Synonyms> (309)
angelicin

>  <Target> (309)
Immunology & Inflammation related

>  <Form> (309)
free base

>  <URL> (309)
http://www.selleckchem.com/products/isopsoralen.html

>  <CAS Number> (309)
523-50-2

$$$$
S3874 Curcumenol.cdx
csChFnd80/07161817412D

 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
    0.3389    3.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    1.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7647    5.5655    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  6  0  0  0
  1  4  1  0  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 18  1  1  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (310)
3597

>  <Formula> (310)
C15H22O2

>  <MolWeight> (310)
234.33398

>  <Item Name> (310)
Curcumenol

>  <Catalog Number> (310)
S3874

>  <Synonyms> (310)
N/A

>  <Target> (310)
NF-¦ÊB

>  <Form> (310)
free base

>  <URL> (310)
http://www.selleckchem.com/products/curcumenol.html

>  <CAS Number> (310)
19431-84-6

$$$$
S3877 Lysionotin.cdx
csChFnd80/07161817412D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    2.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    4.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    6.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4862    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4852    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9100    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9109    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    0.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  2  0  0  0  0
  9  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
 10  7  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 14 15  2  0  0  0  0
 19 14  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
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (311)
3599

>  <Formula> (311)
C18H16O7

>  <MolWeight> (311)
344.31544

>  <Item Name> (311)
Lysionotin

>  <Catalog Number> (311)
S3877

>  <Synonyms> (311)
N/A

>  <Target> (311)
Immunology & Inflammation related

>  <Form> (311)
free base

>  <URL> (311)
http://www.selleckchem.com/products/lysionotin.html

>  <CAS Number> (311)
152743-19-6

$$$$
S3881 Scopoletin.cdx
csChFnd80/07161817412D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    0.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0919    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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (312)
3601

>  <Formula> (312)
C10H8O4

>  <MolWeight> (312)
192.16812

>  <Item Name> (312)
Scopoletin

>  <Catalog Number> (312)
S3881

>  <Synonyms> (312)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (312)
Immunology & Inflammation related

>  <Form> (312)
free base

>  <URL> (312)
http://www.selleckchem.com/products/scopoletin.html

>  <CAS Number> (312)
92-61-5

$$$$
S3803 Angelic acid.cdx
csChFnd80/07161817412D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  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
M  END
>  <Mol_ID> (313)
3607

>  <Formula> (313)
C5H8O2

>  <MolWeight> (313)
100.11582

>  <Catalog Number> (313)
S3803

>  <Synonyms> (313)
(Z)-2-Methylbut-2-enoic acid

>  <Target> (313)
Others

>  <Form> (313)
free base

>  <URL> (313)
http://www.selleckchem.com/products/angelic-acid.html

>  <CAS Number> (313)
565-63-9

$$$$
S3809 Imperatorin.cdx
csChFnd80/07161817412D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.3622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1528    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808    5.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    3.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    5.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204    3.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7947    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0018    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8254    6.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0056    5.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2142    3.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9995    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
  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
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (314)
3611

>  <Formula> (314)
C16H14O4

>  <MolWeight> (314)
270.27996

>  <Item Name> (314)
Imperatorin

>  <Catalog Number> (314)
S3809

>  <Synonyms> (314)
Ammidin, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene

>  <Target> (314)
Calcium channel

>  <Form> (314)
free base

>  <URL> (314)
http://www.selleckchem.com/products/imperatorin.html

>  <CAS Number> (314)
482-44-0

$$$$
S3847 Panaxatriol.cdx
csChFnd80/07161817412D

 38 42  0  0  0  0  0  0  0  0999 V2000
    6.0432    3.4839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1653    4.1465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8036    4.1946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0432    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    4.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492    5.5891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4691    3.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1653    2.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    3.4998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7875    5.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    1.3786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5011    6.0112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9951    6.3317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3345    4.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    2.0893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3937    4.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533    4.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2062    7.1814    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9951    7.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    1.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    3.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5011    8.3890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6062    7.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    2.1053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7847    0.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1151    0.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2704    9.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3436    8.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6383    9.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2223   10.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9720   10.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8036    2.7786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1492    6.9891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    0.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8062    7.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8534    6.3735    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  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  6  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 34  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
  6 35  1  1  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
 10 13  1  0  0  0  0
 11 18  1  1  0  0  0
 11 15  1  0  0  0  0
 12 19  1  0  0  0  0
 12 14  1  0  0  0  0
 13 20  1  1  0  0  0
 15 21  1  0  0  0  0
 15 36  1  6  0  0  0
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 25  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  1  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 31  1  0  0  0  0
 19 37  1  1  0  0  0
 12 38  1  6  0  0  0
M  END
>  <Mol_ID> (315)
3614

>  <Formula> (315)
C30H52O4

>  <MolWeight> (315)
476.73148

>  <Item Name> (315)
Panaxatriol

>  <Catalog Number> (315)
S3847

>  <Synonyms> (315)
N/A

>  <Target> (315)
Others

>  <Form> (315)
free base

>  <URL> (315)
http://www.selleckchem.com/products/panaxatriol.html

>  <CAS Number> (315)
32791-84-7

$$$$
S3778 Patchouli alcohol.cdx
csChFnd80/07161817412D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.8974    2.2469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7063    4.1351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2171    1.6063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2324    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400    3.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    4.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    4.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011    0.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1437    2.5051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8667    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647    1.3982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3043    3.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4005    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101    4.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0822    2.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8648    1.2439    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  1  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  1  0  0  0
  1 17  1  6  0  0  0
  3 18  1  6  0  0  0
M  END
>  <Mol_ID> (316)
3621

>  <Formula> (316)
C15H26O

>  <MolWeight> (316)
222.36634

>  <Item Name> (316)
Patchouli alcohol

>  <Catalog Number> (316)
S3778

>  <Synonyms> (316)
(-)-Patchouli Alcohol, Patchoulol, Patchouli camphor

>  <Target> (316)
Immunology & Inflammation related

>  <Form> (316)
free base

>  <URL> (316)
http://www.selleckchem.com/products/patchouli-alcohol.html

>  <CAS Number> (316)
5986-55-0

$$$$
S3790 Methyl gallate.cdx
csChFnd80/07161817412D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 10  2  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (317)
3627

>  <Formula> (317)
C8H8O5

>  <MolWeight> (317)
184.14612

>  <Item Name> (317)
Methyl gallate

>  <Catalog Number> (317)
S3790

>  <Synonyms> (317)
Methylgallate, Gallic acid methyl ester, Gallicin

>  <Target> (317)
Immunology & Inflammation related

>  <Form> (317)
free base

>  <URL> (317)
http://www.selleckchem.com/products/methyl-gallate.html

>  <CAS Number> (317)
99-24-1

$$$$
S3799 Gentisic acid.cdx
csChFnd80/07161817412D

 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 O   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> (318)
3635

>  <Formula> (318)
C7H6O4

>  <MolWeight> (318)
154.12014

>  <Item Name> (318)
Gentisic acid

>  <Catalog Number> (318)
S3799

>  <Synonyms> (318)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (318)
Immunology & Inflammation related

>  <Form> (318)
free base

>  <URL> (318)
http://www.selleckchem.com/products/gentisic-acid.html

>  <CAS Number> (318)
490-79-9

$$$$
S3765 Picroside II.cdx
csChFnd80/07161817412D

 38 42  0  0  0  0  0  0  0  0999 V2000
    7.4409    5.8897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2212    7.0600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0611    6.2926    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8450    5.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1992    4.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3537    8.1650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0601    7.6958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8484    5.5912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2705    3.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7435    9.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    8.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (319)
3641

>  <Formula> (319)
C23H28O13

>  <MolWeight> (319)
512.46062

>  <Item Name> (319)
Picroside II

>  <Catalog Number> (319)
S3765

>  <Synonyms> (319)
6-Vanilloylcatalpol, Vanilloyl catalpol

>  <Target> (319)
Immunology & Inflammation related

>  <Form> (319)
free base

>  <URL> (319)
http://www.selleckchem.com/products/picroside-ii.html

>  <CAS Number> (319)
39012-20-9

$$$$
S3767 10,11-Dimethoxystrychnine.cdx
csChFnd80/07161817412D

 32 38  0  0  0  0  0  0  0  0999 V2000
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    7.4181    3.5971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (320)
3642

>  <Formula> (320)
C23H26N2O4

>  <MolWeight> (320)
394.46354

>  <Item Name> (320)
10,11-Dimethoxystrychnine

>  <Catalog Number> (320)
S3767

>  <Synonyms> (320)
Brucine anhydrous, Brucine

>  <Target> (320)
Others

>  <Form> (320)
free base

>  <URL> (320)
http://www.selleckchem.com/products/10-11-dimethoxystrychnine.html

>  <CAS Number> (320)
357-57-3

$$$$
S3926 Forsythin.cdx
csChFnd80/07161817412D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (321)
3651

>  <Formula> (321)
C27H34O11

>  <MolWeight> (321)
534.55226

>  <Item Name> (321)
Forsythin

>  <Catalog Number> (321)
S3926

>  <Synonyms> (321)
Phillyrin

>  <Target> (321)
Others

>  <Form> (321)
free base

>  <URL> (321)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (321)
487-41-2

$$$$
S3927 Swertiamarin.cdx
csChFnd80/07161817412D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (322)
3652

>  <Formula> (322)
C16H22O10

>  <MolWeight> (322)
374.33988

>  <Item Name> (322)
Swertiamarin

>  <Catalog Number> (322)
S3927

>  <Synonyms> (322)
Swertiamarin

>  <Target> (322)
Others

>  <Form> (322)
free base

>  <URL> (322)
http://www.selleckchem.com/products/swertiamarin.html

>  <CAS Number> (322)
17388-39-5

$$$$
S3872 Guaiacol.cdx
csChFnd80/07161817412D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4266    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7011    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
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (323)
3659

>  <Formula> (323)
C7H8O2

>  <MolWeight> (323)
124.13722

>  <Item Name> (323)
Guaiacol

>  <Catalog Number> (323)
S3872

>  <Synonyms> (323)
o-methoxyphenol, 2-hydroxyanisole, O-methylcatechol

>  <Target> (323)
Others

>  <Form> (323)
free base

>  <URL> (323)
http://www.selleckchem.com/products/guaiacol.html

>  <CAS Number> (323)
90-05-1

$$$$
S3906 2,3,5,4-tetrahydroxyl diphenylethylene-2-o-glucoside.cdx
csChFnd80/07161817412D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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    0.0000    0.0000 O   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
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  4 10  1  6  0  0  0
  3 11  1  1  0  0  0
  2 12  1  6  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (324)
3660

>  <Formula> (324)
C20H22O9

>  <MolWeight> (324)
406.38328

>  <Item Name> (324)
Astragalus polyphenols

>  <Catalog Number> (324)
S3906

>  <Synonyms> (324)
N/A

>  <Target> (324)
Immunology & Inflammation related

>  <Form> (324)
free base

>  <URL> (324)
http://www.selleckchem.com/products/astragalus-polyphenols.html

>  <CAS Number> (324)
82373-94-2

$$$$
S3907 Bulleyaconi cine A.cdx
csChFnd80/07161817412D

 49 55  0  0  0  0  0  0  0  0999 V2000
    3.8321    5.2897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5325    3.9457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0774    6.4974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0808    5.8891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8241    6.2113    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2385    3.5506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4044    2.8878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7620    2.8878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9388    5.1035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3023    5.2761    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3034    7.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348    5.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    7.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215    4.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    1.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156    3.9594    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8807    6.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2830    6.2660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6337    7.4646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4996    8.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713    1.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7688    2.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1670    7.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0085    6.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    6.7472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6337    8.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7188    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261    5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8393    7.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1446    7.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5112    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9267    0.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6543    3.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314    8.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4421    3.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    2.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6021    2.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470    1.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3024    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    2.5336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3726    7.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    1.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4057    4.9082    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  6  0  0  0
  1  4  1  0  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 46  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 47  1  1  0  0  0
  5 12  1  0  0  0  0
  5 13  1  6  0  0  0
  6 14  1  6  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  6  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8 48  1  1  0  0  0
  9 19  1  0  0  0  0
  9 14  1  0  0  0  0
 10 20  1  0  0  0  0
 10 18  1  0  0  0  0
 10 49  1  1  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 22  1  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  1  0  0  0
 19 27  1  0  0  0  0
 20 28  1  6  0  0  0
 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  1  0  0  0
 23 31  1  0  0  0  0
 25 29  1  0  0  0  0
 26 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  2  0  0  0  0
 29 35  1  1  0  0  0
 32 36  1  0  0  0  0
 32 37  2  0  0  0  0
 33 38  2  0  0  0  0
 33 39  1  0  0  0  0
 35 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  2  0  0  0  0
 41 43  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (325)
3661

>  <Formula> (325)
C35H49NO9

>  <MolWeight> (325)
627.76486

>  <Item Name> (325)
Bulleyaconi cine A

>  <Catalog Number> (325)
S3907

>  <Synonyms> (325)
Bulleyaconitine A, Bulleyaconi cine A

>  <Target> (325)
Sodium channel

>  <Form> (325)
free base

>  <URL> (325)
http://www.selleckchem.com/products/bulleyaconi-cine-a.html

>  <CAS Number> (325)
107668-79-1

$$$$
S3909 Catalpol.cdx
csChFnd80/07161817412D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.7355    5.3729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7898    4.4419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3288    6.7111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2655    6.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036    5.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    5.1155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8065    3.0364    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6696    6.4892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6621    6.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1986    4.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5273    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9846    2.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5949    7.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1989    3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494    2.3776    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6369    3.6710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982    1.2677    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2495    3.8667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9165    1.4965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8615    0.0000    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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 26  1  1  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
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 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 17 19  1  0  0  0  0
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 21 24  1  6  0  0  0
 22 25  1  0  0  0  0
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M  END
>  <Mol_ID> (326)
3663

>  <Formula> (326)
C15H22O10

>  <MolWeight> (326)
362.32918

>  <Item Name> (326)
Catalpol

>  <Catalog Number> (326)
S3909

>  <Synonyms> (326)
Catalpol, catalpinoside, Digitalis purpurea L

>  <Target> (326)
Others

>  <Form> (326)
free base

>  <URL> (326)
http://www.selleckchem.com/products/catalpol.html

>  <CAS Number> (326)
2415-24-9

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/07161817412D

 81 88  0  0  0  0  0  0  0  0999 V2000
   13.1660    8.6148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3997    7.8581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9531    7.9204    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1660   10.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (327)
3667

>  <Formula> (327)
C54H92O23

>  <MolWeight> (327)
1109.29448

>  <Item Name> (327)
Ginsenoside Rb1

>  <Catalog Number> (327)
S3924

>  <Synonyms> (327)
Gypenoside ¢ó

>  <Target> (327)
Others

>  <Form> (327)
free base

>  <URL> (327)
http://www.selleckchem.com/products/ginsenoside-rb1.html

>  <CAS Number> (327)
41753-43-9

$$$$
S3870 D-Pinitol.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (328)
3678

>  <Formula> (328)
C7H14O6

>  <MolWeight> (328)
194.18246

>  <Item Name> (328)
D-Pinitol

>  <Catalog Number> (328)
S3870

>  <Synonyms> (328)
Methylinositol, Pinitol, 3-O-Methyl-D-chiro-inositol, D-(+)-Pinitol, Inzitol

>  <Target> (328)
Others

>  <Form> (328)
free base

>  <URL> (328)
http://www.selleckchem.com/products/d-pinitol.html

>  <CAS Number> (328)
10284-63-6

$$$$
S3855 Ethyl ferulate.cdx
csChFnd80/07161817412D

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>  <Mol_ID> (329)
3684

>  <Formula> (329)
C12H14O4

>  <MolWeight> (329)
222.23716

>  <Item Name> (329)
Ethyl ferulate

>  <Catalog Number> (329)
S3855

>  <Synonyms> (329)
Ferulic acid ethyl ester, Ethyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (329)
Others

>  <Form> (329)
free base

>  <URL> (329)
http://www.selleckchem.com/products/ethyl-ferulate.html

>  <CAS Number> (329)
4046-02-0

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/07161817412D

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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (330)
3693

>  <Formula> (330)
C20H16N2O5

>  <MolWeight> (330)
364.35144

>  <Item Name> (330)
Hydroxy Camptothecine

>  <Catalog Number> (330)
S3898

>  <Synonyms> (330)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (330)
DNA topoisomerase I

>  <Form> (330)
free base

>  <URL> (330)
http://www.selleckchem.com/products/hydroxy-camptothecine.html

>  <CAS Number> (330)
64439-81-2

$$$$
S4761 Thymoquinone.cdx
csChFnd80/07161817412D

 12 12  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
    2.4249    4.2000    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    4.2000    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
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  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
    0.0000    1.4000    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  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
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (331)
3711

>  <Formula> (331)
C10H12O2

>  <MolWeight> (331)
164.20108

>  <Item Name> (331)
Thymoquinone

>  <Catalog Number> (331)
S4761

>  <Synonyms> (331)
N/A

>  <Target> (331)
Others

>  <Form> (331)
free base

>  <URL> (331)
http://www.selleckchem.com/products/thymoquinone.html

>  <CAS Number> (331)
490-91-5

$$$$
Takinib.cdx
csChFnd80/07161817412D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.9686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.8360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792    3.6235    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  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 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 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (332)
3712

>  <Formula> (332)
C18H18N4O2

>  <MolWeight> (332)
322.36112

>  <Item Name> (332)
Takinib

>  <Catalog Number> (332)
S8663

>  <Synonyms> (332)
EDHS-206

>  <Target> (332)
TAK1,IRAK4,IRAK1

>  <Form> (332)
free base

>  <URL> (332)
http://www.selleckchem.com/products/takinib.html

>  <CAS Number> (332)
1111556-37-6

$$$$
S4781 Xanthoxyline.cdx
csChFnd80/07161817412D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (333)
3736

>  <Formula> (333)
C10H12O4

>  <MolWeight> (333)
196.19988

>  <Item Name> (333)
Xanthoxyline

>  <Catalog Number> (333)
S4781

>  <Synonyms> (333)
Brevifolin

>  <Target> (333)
Others

>  <Form> (333)
free base

>  <URL> (333)
http://www.selleckchem.com/products/xanthoxyline.html

>  <CAS Number> (333)
90-24-4

$$$$
S3949 N-Sulfo-glucosamine sodium salt.cdx
csChFnd80/07161817412D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.5110    2.5856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1112    2.5726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1998    3.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2110    1.3732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4112    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3738    6.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5998    3.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146    1.3732    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0888    4.9974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0144    1.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146    2.7996    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4885    5.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643    6.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3854    2.7922    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
 10  7  1  6  0  0  0
  9 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (334)
3787

>  <Formula> (334)
C6H12NNaO8S

>  <MolWeight> (334)
281.21615

>  <Item Name> (334)
N-Sulfo-glucosamine sodium salt

>  <Catalog Number> (334)
S3949

>  <Synonyms> (334)
N-sulfoglucosamine sodium salt, N-Sulfo-D-glucosamine sodium salt

>  <Target> (334)
Others

>  <Form> (334)
sodium salt

>  <URL> (334)
http://www.selleckchem.com/products/n-sulfo-glucosamine-sodium-salt.html

>  <CAS Number> (334)
38899-05-7

$$$$
S3951 Tannic acid.cdx
csChFnd80/07161817412D

122132  0  0  0  0  0  0  0  0999 V2000
   12.5946   10.9248    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9904   10.9292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8929   12.1313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8984    9.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6846   12.1404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6942    9.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5871   13.3426    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4929   12.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4984    9.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9828   13.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0847   12.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0942    9.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8832   14.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7891   13.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8022    8.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7946   10.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7808   13.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7980    8.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903   10.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793   15.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3891   13.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4853   14.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5076    7.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1809   13.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0770   14.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0993    7.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2028    8.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   15.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887   14.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957   12.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6986    7.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8098    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8865   12.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8780   14.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8110    6.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9042    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6754   16.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6830   14.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2966   14.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3026   12.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    6.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2974    7.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5137    4.8504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2890   12.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2811   14.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2315    6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1223    4.8689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3199    7.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9728   18.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0729   16.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6674   19.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7675   18.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2031   13.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2889   16.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1936    8.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2896    9.6890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3865   13.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3932   10.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0316    3.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0275    6.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9635   20.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (335)
3789

>  <Formula> (335)
C76H52O46

>  <MolWeight> (335)
1701.19848

>  <Item Name> (335)
Tannic acid

>  <Catalog Number> (335)
S3951

>  <Synonyms> (335)
Gallotannic acid

>  <Target> (335)
CXCR4 

>  <Form> (335)
free base

>  <URL> (335)
http://www.selleckchem.com/products/tannic-acid.html

>  <CAS Number> (335)
1401-55-4

$$$$
S3975 Protocatechuic acid.cdx
csChFnd80/07161817412D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6385    3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4263    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> (336)
3805

>  <Formula> (336)
C7H6O4

>  <MolWeight> (336)
154.12014

>  <Item Name> (336)
Protocatechuic acid

>  <Catalog Number> (336)
S3975

>  <Synonyms> (336)
3,4-Dihydroxybenzoic acid, Protocatechuate

>  <Target> (336)
Others

>  <Form> (336)
free base

>  <URL> (336)
http://www.selleckchem.com/products/protocatechuic-acid.html

>  <CAS Number> (336)
99-50-3

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/07161817412D

 37 39  0  0  0  0  0  0  0  0999 V2000
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    6.3952    4.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 37 28  2  0  0  0  0
M  END
>  <Mol_ID> (337)
3810

>  <Formula> (337)
C20H22N4O10S

>  <MolWeight> (337)
510.47448

>  <Item Name> (337)
Cefuroxime axetil

>  <Catalog Number> (337)
S4813

>  <Synonyms> (337)
N/A

>  <Target> (337)
Antifection

>  <Form> (337)
free base

>  <URL> (337)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (337)
64544-07-6

$$$$
S3879 kaempferide.cdx
csChFnd80/07161817412D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.7000    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
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (338)
3848

>  <Formula> (338)
C16H12O6

>  <MolWeight> (338)
300.26288

>  <Item Name> (338)
kaempferide

>  <Catalog Number> (338)
S3879

>  <Synonyms> (338)
4'-Methylkaempferol, 4'-O-Methylkaempferol, Kaempferol 4'-methyl ether

>  <Target> (338)
Others

>  <Form> (338)
free base

>  <URL> (338)
http://selleckchem.com/products/kaempferide.html

>  <CAS Number> (338)
491-54-3
491-54-3

$$$$
S4990 TBHQ.cdx
csChFnd80/07161817412D

 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
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (339)
3864

>  <Formula> (339)
C10H14O2

>  <MolWeight> (339)
166.21696

>  <Item Name> (339)
TBHQ

>  <Catalog Number> (339)
S4990

>  <Synonyms> (339)
Tert-butylhydroquinone

>  <Target> (339)
Nrf2

>  <Form> (339)
free base

>  <URL> (339)
http://selleckchem.com/products/tbhq.html

>  <CAS Number> (339)
1948-33-0

$$$$
S5031 Sulfaquinoxaline sodium.cdx
csChFnd80/07161817412D

 22 24  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
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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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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Na  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  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (340)
3868

>  <Formula> (340)
C14H11N4NaO2S

>  <MolWeight> (340)
322.31751

>  <Item Name> (340)
Sulfaquinoxaline sodium

>  <Catalog Number> (340)
S5031

>  <Synonyms> (340)
SQ-Na

>  <Target> (340)
Anti-infection

>  <Form> (340)
sodium salt

>  <URL> (340)
http://selleckchem.com/products/sulfaquinoxaline-sodium.html

>  <CAS Number> (340)
967-80-6

$$$$
S5083 Lentinan.cdx
csChFnd80/07161817412D

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    6.4509    6.0497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6808    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6231    2.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9883    5.9061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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A   80
n
A   81
n
M  END
>  <Mol_ID> (341)
3877

>  <Formula> (341)
C42H70O35R2

>  <MolWeight> (341)
1134.9842

>  <Item Name> (341)
Lentinan

>  <Catalog Number> (341)
S5083

>  <Synonyms> (341)
A823605, Bromoduline

>  <Target> (341)
Immunology & Inflammation related

>  <URL> (341)
http://selleckchem.com/products/lentinan.html

>  <CAS Number> (341)
37339-90-5

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/07161817412D

 24 25  0  0  0  0  0  0  0  0999 V2000
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    6.0541    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4819    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4819    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    4.8912    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9054    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7092    0.4160    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790    0.0034    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  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
  5 24  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (342)
3891

>  <Formula> (342)
C15H17FN4O3R

>  <MolWeight> (342)
320.3188832

>  <Item Name> (342)
Enoxacin Sesquihydrate

>  <Catalog Number> (342)
S5209

>  <Synonyms> (342)
Enoxacin hydrate

>  <Target> (342)
Anti-infection

>  <Form> (342)
sesquihydrate

>  <URL> (342)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (342)
84294-96-2

$$$$
S5210 Sulfamethazine Sodium Salt.cdx
csChFnd80/07161817412D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   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    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
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  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
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (343)
3892

>  <Formula> (343)
C12H13N4NaO2S

>  <MolWeight> (343)
300.31199

>  <Item Name> (343)
Sulfamethazine Sodium Salt

>  <Catalog Number> (343)
S5210

>  <Synonyms> (343)
Sulfadimethyldiazine Sodium Salt

>  <Target> (343)
Anti-infection

>  <Form> (343)
sodium salt 

>  <URL> (343)
http://selleckchem.com/products/sulfamethazine-sodium-salt.html

>  <CAS Number> (343)
1981-58-4

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/07161817412D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.1858    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003    3.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2216    1.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3486    3.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    2.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  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 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (344)
3893

>  <Formula> (344)
C7H7NO3

>  <MolWeight> (344)
153.13538

>  <Item Name> (344)
4-Aminosalicylic acid

>  <Catalog Number> (344)
S5211

>  <Synonyms> (344)
para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (344)
Anti-infection

>  <Form> (344)
free base

>  <URL> (344)
http://selleckchem.com/products/4-aminosalicylic-acid.html

>  <CAS Number> (344)
65-49-6

$$$$
S5212 Imidazolidinyl Urea.cdx
csChFnd80/07161817412D

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.5537    2.3555    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2950    2.9025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4090    0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662    3.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    1.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969    4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922    0.6747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522    0.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    2.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446    4.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1839    3.0537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    0.9508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4030    2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6080    3.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    2.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0330    3.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    0.9593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2536    2.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5056    2.8844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3999    0.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4068    1.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8157    4.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7119    0.6491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3583    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8004    1.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1531    4.6637    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
  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  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (345)
3894

>  <Formula> (345)
C11H16N8O8

>  <MolWeight> (345)
388.29354

>  <Item Name> (345)
Imidazolidinyl Urea

>  <Catalog Number> (345)
S5212

>  <Synonyms> (345)
Imidurea

>  <Target> (345)
Anti-infection

>  <Form> (345)
free base

>  <URL> (345)
http://selleckchem.com/products/imidazolidinyl-urea.html

>  <CAS Number> (345)
39236-46-9

$$$$
S3776 Sophoricoside.cdx
csChFnd80/07161817412D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6274    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    4.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0362    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0340    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543    2.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2510    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6657    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    0.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    0.7203    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3279    0.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0972    2.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5054    0.7321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3496    2.8089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8848    2.8349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5170    2.1165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7177    0.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3496    4.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7294    2.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9350    0.7350    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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  1  0  0  0
 24 27  1  0  0  0  0
 24 28  1  6  0  0  0
 25 29  1  6  0  0  0
 25 27  1  0  0  0  0
 27 30  1  1  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (346)
3899

>  <Formula> (346)
C21H20O10

>  <MolWeight> (346)
432.3775

>  <Item Name> (346)
Sophoricoside

>  <Catalog Number> (346)
S3776

>  <Synonyms> (346)
N/A

>  <Target> (346)
Immunology & Inflammation related

>  <URL> (346)
http://selleckchem.com/products/sophoricoside.html

>  <CAS Number> (346)
152-95-4

$$$$
S5039 Actarit.cdx
csChFnd80/07161817412D

 14 14  0  0  0  0  0  0  0  0999 V2000
    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
    4.8497    2.8000    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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (347)
3906

>  <Formula> (347)
C10H11NO3

>  <MolWeight> (347)
193.19924

>  <Item Name> (347)
Actarit

>  <Catalog Number> (347)
S5039

>  <Synonyms> (347)
4-acetylaminophenylacetic acid

>  <Target> (347)
Immunology & Inflammation related

>  <Form> (347)
free base

>  <URL> (347)
http://selleckchem.com/products/actarit.html

>  <CAS Number> (347)
18699-02-0

$$$$
S5043 Benorylate.cdx
csChFnd80/07161817412D

 23 24  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
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (348)
3907

>  <Formula> (348)
C17H15NO5

>  <MolWeight> (348)
313.3047

>  <Item Name> (348)
Benorylate
Benorylate

>  <Catalog Number> (348)
S5043

>  <Synonyms> (348)
Benorilate, Benoral, Benortan

>  <Target> (348)
Immunology & Inflammation related

>  <Form> (348)
free base

>  <URL> (348)
http://selleckchem.com/products/benorylate.html

>  <CAS Number> (348)
5003-48-5

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/07161817412D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0619    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    7.0122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    4.9116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    4.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    6.3138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4852    4.9095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    6.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8510    8.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.8106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    8.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    9.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9043    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1167    0.0027    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8963    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2118    6.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    8.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017    1.9133    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
 10  2  1  0  0  0  0
  4  3  1  0  0  0  0
 11  4  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
 16  5  1  0  0  0  0
  9  6  1  0  0  0  0
 22  6  1  0  0  0  0
  7  8  1  0  0  0  0
 24  8  1  0  0  0  0
 23  9  1  0  0  0  0
  9 12  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 12 13  1  0  0  0  0
 25 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 15 21  1  0  0  0  0
 17 15  1  0  0  0  0
 20 15  2  0  0  0  0
 21 18  2  0  0  0  0
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 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (349)
3910

>  <Formula> (349)
C22H24ClFN4

>  <MolWeight> (349)
398.9041632

>  <Item Name> (349)
Revaprazan Hydrochloride

>  <Catalog Number> (349)
S5058

>  <Synonyms> (349)
YH1885

>  <Target> (349)
Proton Pump

>  <URL> (349)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (349)
178307-42-1

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/07161817412D

 56 59  0  0  0  0  0  0  0  0999 V2000
   25.8373    3.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5373    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9373    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6373    3.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9373    2.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5373    2.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4373    3.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7373    2.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3373    2.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6373    3.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3373    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   33.3243    6.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   37.3851    4.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (350)
3911

>  <Formula> (350)
C40H52Cl2N8O6

>  <MolWeight> (350)
811.79688

>  <Item Name> (350)
Daclatasvir Digydrochloride

>  <Catalog Number> (350)
S5062

>  <Synonyms> (350)
N/A

>  <Target> (350)
HCV Protease

>  <Form> (350)
dihydrochloride 

>  <URL> (350)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

>  <CAS Number> (350)
1009119-65-6

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/07161817412D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (351)
3928

>  <Formula> (351)
C14H11NOS

>  <MolWeight> (351)
241.30824

>  <Item Name> (351)
2-Acetylphenothiazine (ML171)

>  <Catalog Number> (351)
S5304

>  <Synonyms> (351)
2-APT

>  <Target> (351)
NADPH-oxidase

>  <Form> (351)
free base

>  <URL> (351)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

>  <CAS Number> (351)
6631-94-3

$$$$
S5309 Propyphenazone.cdx
csChFnd80/07161817412D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    2.8068    2.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0072    3.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145    1.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    3.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0953    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5689    4.9107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540    1.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076    3.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954    1.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4779    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875    0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583    3.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (352)
3930

>  <Formula> (352)
C14H18N2O

>  <MolWeight> (352)
230.30552

>  <Item Name> (352)
Propyphenazone (4-Isopropylantipyrine)

>  <Catalog Number> (352)
S5309

>  <Synonyms> (352)
Isopropylantipyrine, Isopropyrine

>  <Target> (352)
Others

>  <Form> (352)
free base

>  <URL> (352)
http://selleckchem.com/products/propyphenazone.html

>  <CAS Number> (352)
479-92-5

$$$$
S4837 Ibudilast.cdx
csChFnd80/07161817412D

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    3.7716    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4904    4.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3634    3.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4 10  2  0  0  0  0
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  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (353)
3936

>  <Formula> (353)
C14H18N2O

>  <MolWeight> (353)
230.30552

>  <Item Name> (353)
Ibudilast

>  <Catalog Number> (353)
S4837

>  <Synonyms> (353)
KC-404, AV411, MN166

>  <Target> (353)
PDE

>  <Form> (353)
free base

>  <URL> (353)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (353)
50847-11-5

$$$$
S4862 Squalene.cdx
csChFnd80/07161817412D

 30 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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
    3.6373    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  1  0  0  0  0
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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (354)
3954

>  <Formula> (354)
C30H50

>  <MolWeight> (354)
410.718

>  <Item Name> (354)
Squalene

>  <Catalog Number> (354)
S4862

>  <Synonyms> (354)
Spinacene, Supraene, trans-Squalene

>  <Target> (354)
Others

>  <Form> (354)
free base

>  <URL> (354)
http://selleckchem.com/products/squalene.html

>  <CAS Number> (354)
 111-02-4

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/07161817412D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (355)
3977

>  <Formula> (355)
C34H30N2O6S

>  <MolWeight> (355)
594.6768

>  <Item Name> (355)
Pyrantel Pamoate 

>  <Catalog Number> (355)
S2501

>  <Synonyms> (355)
Pyrantel Embonate

>  <Target> (355)
Anti-infection

>  <Form> (355)
salt

>  <URL> (355)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (355)
22204-24-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/07161817412D

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  4  9  1  0  0  0  0
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  5 11  1  0  0  0  0
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  7  9  2  0  0  0  0
 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (356)
3991

>  <Formula> (356)
C15H15NO3

>  <MolWeight> (356)
257.2845

>  <Item Name> (356)
Tolmetin

>  <Catalog Number> (356)
S4832

>  <Synonyms> (356)
Tolectin

>  <Target> (356)
Immunology & Inflammation related

>  <Form> (356)
free base

>  <URL> (356)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (356)
26171-23-3

$$$$
S4835 Aceclofenac.cdx
csChFnd80/07161817412D

 23 24  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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
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  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
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  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
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 17 20  2  0  0  0  0
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M  END
>  <Mol_ID> (357)
3992

>  <Formula> (357)
C16H13Cl2NO4

>  <MolWeight> (357)
354.18472

>  <Item Name> (357)
Aceclofenac

>  <Catalog Number> (357)
S4835

>  <Synonyms> (357)
Preservex, Airtal

>  <Target> (357)
Immunology & Inflammation related

>  <Form> (357)
free base

>  <URL> (357)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (357)
89796-99-6

$$$$
S4894 D-Glucurone.cdx
csChFnd80/07161817412D

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.9968    1.1327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5966    1.1322    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1637    2.4636    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.4642    0.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635    2.4631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3314    1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7603    2.8971    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
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  2  6  1  1  0  0  0
  1  7  1  6  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  9 10  2  0  0  0  0
  8 11  1  6  0  0  0
  5 12  1  0  0  0  0
M  CFW   6 BOND_GSTEREO 4
M  END
>  <Mol_ID> (358)
4008

>  <Formula> (358)
C6H8O6

>  <MolWeight> (358)
176.12412

>  <Item Name> (358)
D-Glucurone

>  <Catalog Number> (358)
S4894

>  <Synonyms> (358)
N/A

>  <Target> (358)
Others

>  <Form> (358)
free base

>  <URL> (358)
http://selleckchem.com/products/d-glucurone.html

>  <CAS Number> (358)
32449-92-6

$$$$
S4962 Agmatine sulfate.cdx
csChFnd80/07161817412D

 14 12  0  0  0  0  0  0  0  0999 V2000
    6.1832    0.9899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933    1.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732    1.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1933    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.7348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (359)
4021

>  <Formula> (359)
C5H16N4O4S

>  <MolWeight> (359)
228.26994

>  <Item Name> (359)
Agmatine sulfate

>  <Catalog Number> (359)
S4962

>  <Synonyms> (359)
N/A

>  <Target> (359)
NOS

>  <URL> (359)
http://selleckchem.com/products/agmatine-sulfate.html

>  <CAS Number> (359)
2482-00-0

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/07161817412D

 14 15  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (360)
4025

>  <Formula> (360)
C10H8O4

>  <MolWeight> (360)
192.16812

>  <Item Name> (360)
4-Methylesculetin

>  <Catalog Number> (360)
S4966

>  <Synonyms> (360)
N/A

>  <Target> (360)
Immunology & Inflammation related

>  <Form> (360)
free base

>  <URL> (360)
http://selleckchem.com/products/methylesculetin.html

>  <CAS Number> (360)
529-84-0

$$$$
S5016 Isoprinosine.cdx
csChFnd80/07161817412D

 79 78  0  0  0  0  0  0  0  0999 V2000
    2.8936    5.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2241    7.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620    4.4015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8917    7.9986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0698    6.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1314    3.9678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    5.4668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4638    2.1363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1314    2.5678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6475    7.5674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   29.1627    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 14  9  2  0  0  0  0
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 27 20  1  0  0  0  0
 24 21  2  0  0  0  0
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 22 30  1  0  0  0  0
 29 24  1  0  0  0  0
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 62 57  1  0  0  0  0
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 72 69  1  0  0  0  0
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M  END
>  <Mol_ID> (361)
4050

>  <Formula> (361)
C52H78N10O17

>  <MolWeight> (361)
1115.23252

>  <Item Name> (361)
Isoprinosine

>  <Catalog Number> (361)
S5016

>  <Synonyms> (361)
inosine pranobex, Immunovir, Groprinosin, Delimmun

>  <Target> (361)
Anti-infection,Immunology & Inflammation rel

>  <Form> (361)
salt

>  <URL> (361)
http://selleckchem.com/products/isoprinosine.html

>  <CAS Number> (361)
36703-88-5

$$$$
S5044 Isoxepac.cdx
csChFnd80/07161817412D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.1901    2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4854    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9082    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2376    1.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5529    4.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8235    3.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6116    2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8954    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5758    1.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031    4.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8666    2.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    3.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715    1.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6160    0.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400    3.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2656    1.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9476    1.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9553    0.0338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2853    2.3642    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  1  0  0  0  0
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  4  9  2  0  0  0  0
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 12 15  1  0  0  0  0
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 15 18  2  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (362)
4057

>  <Formula> (362)
C16H12O4

>  <MolWeight> (362)
268.26408

>  <Item Name> (362)
Isoxepac

>  <Catalog Number> (362)
S5044

>  <Synonyms> (362)
N/A

>  <Target> (362)
Immunology & Inflammation related

>  <Form> (362)
free base

>  <URL> (362)
http://selleckchem.com/products/isoxepac.html

>  <CAS Number> (362)
55453-87-7

$$$$
S5046 Clonixin.cdx
csChFnd80/07161817412D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (363)
4058

>  <Formula> (363)
C13H11ClN2O2

>  <MolWeight> (363)
262.69164

>  <Item Name> (363)
Clonixin

>  <Catalog Number> (363)
S5046

>  <Synonyms> (363)
Clonixic acid

>  <Target> (363)
Immunology & Inflammation related

>  <Form> (363)
free base

>  <URL> (363)
http://selleckchem.com/products/clonixin.html

>  <CAS Number> (363)
 17737-65-4

$$$$
